0 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 BrCCCOCc1ccccn1 34a_100011217188_100000721315 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.8 BrCCCOCc1cncnc1 34a_100011217188_100015196519 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.8 BrCCCOCc1ncccn1 34a_100011217188_100000703007 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.8 C#CCCCOc1ccncc1 34a_100000212176_100000695029 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.8 C#CCCCSc1ccccn1 62a_100011215417_100011216584 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.8 C#CCCCSc1ccccn1 62a_100011216584_100011215417 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.8 C#CCCCSc1ccncc1 62a_100000728582_100011215417 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.8 C#CCCCSc1ccncc1 62a_100011215417_100000728582 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,0,0,0,0,0|2,0,1]=3 28 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,0,0,0,0,0|2,0,1]=3 29 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [0,0,0,0,0,0|2,0,1]=3 33 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.8 C#CCCSCc1ccccn1 62a_100000688953_100000721315 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.8 C#CCCSCc1ccccn1 62a_100000721315_100000688953 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.8 C#CCCSCc1ccncc1 62a_100000688953_100015193705 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.8 C#CCCSCc1ccncc1 62a_100015193705_100000688953 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,0,0,0,0,0|2,0,1]=3 43 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,0,0,0,0,0|2,0,1]=3 45 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,0,0,0,0,0|2,0,1]=3 46 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,0,0,0,0,0|2,0,1]=3 47 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.8 C#CCOCCc1ccncc1 34a_100011216225_100000184674 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,0,0,0,0,0|2,0,1]=3 51 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.8 C#CCSCCc1ccncc1 62a_100000038162_100000723409 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,0,0,0,0,0|2,0,1]=3 62 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,0,0,0,0,0|2,0,1]=3 64 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,0,0,0,0,0|3,0,1]=4 65 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,0,0,0,0,0|3,0,1]=4 66 B12R1.8 C=CCCCOc1ccncc1 34a_100000212176_100000757094 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,0,0,0,0,0|2,0,1]=3 68 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,0,0,0,0,0|2,0,1]=3 69 B12R1.8 C=CCCCSc1ccccn1 62a_100011216584_100000757094 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.8 C=CCCCSc1ccccn1 62a_100011713584_100011216584 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,0,0,0,0,0|3,0,1]=4 73 B12R1.8 C=CCCCSc1ccncc1 62a_100000728582_100000757094 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.8 C=CCCCSc1ccncc1 62a_100011713584_100000728582 [0,0,0,0,0,0|3,0,1]=4 75 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,0,0,0,0,0|2,0,1]=3 77 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,0,0,0,0,0|2,0,1]=3 78 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.8 C=CCCNCc1ccccn1 207a_100015191253_100000209966 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.8 C=CCCNCc1ccccn1 2230a_100015191253_100000721315 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.8 C=CCCNCc1ccccn1 270004a_100015191253_100000209966 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.8 C=CCCNCc1ccncc1 207a_100015191253_100000186114 [0,0,0,0,0,0|3,0,1]=4 87 B12R1.8 C=CCCNCc1ccncc1 2230a_100015191253_100015193705 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,0,0,0,0,0|2,0,1]=3 89 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,0,0,0,0,0|2,0,1]=3 90 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,0,0,0,0,0|2,0,1]=3 91 B12R1.8 C=CCCOCc1ccccn1 34a_100011205117_100000721315 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,0,0,0,0,0|2,0,1]=3 94 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,0,0,0,0,0|2,0,1]=3 95 B12R1.8 C=CCCSCc1ccccn1 62a_100000721315_100000754431 [0,0,0,0,0,0|3,0,1]=4 96 B12R1.8 C=CCCSCc1ccccn1 62a_100000754431_100000721315 [0,0,0,0,0,0|3,0,1]=4 97 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.8 C=CCCSCc1ccncc1 62a_100000754431_100015193705 [0,0,0,0,0,0|3,0,1]=4 100 B12R1.8 C=CCCSCc1ccncc1 62a_100015193705_100000754431 [0,0,0,0,0,0|3,0,1]=4 101 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,0,0,0,0,0|2,0,1]=3 102 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,0,0,0,0,0|2,0,1]=3 103 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,0,0,0,0,0|2,0,1]=3 104 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,0,0,0,0,0|2,0,1]=3 110 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,0,0,0,0,0|2,0,1]=3 111 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.8 C=CCOCCc1ccccn1 34a_100000210271_100015514636 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.8 C=CCOCCc1ccncc1 34a_100011216225_100015514636 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,0,0,0,0,0|2,0,1]=3 116 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,0,0,0,0,0|2,0,1]=3 117 B12R1.8 C=CCSCCc1ccccn1 62a_100000210623_100015183660 [0,0,0,0,0,0|3,0,1]=4 118 B12R1.8 C=CCSCCc1ccccn1 62a_100015183660_100000210623 [0,0,0,0,0,0|3,0,1]=4 119 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.8 C=CCSCCc1ccncc1 62a_100000210623_100000723409 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.8 C=CCSCCc1ccncc1 62a_100000723409_100000210623 [0,0,0,0,0,0|3,0,1]=4 123 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,0,0,0,0,0|2,0,2]=4 131 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,0,0,0,0,0|2,0,2]=4 132 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,0,0,0,0,0|2,0,2]=4 133 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,0,0,0,0,0|2,0,2]=4 134 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,0,0,0,0,0|2,0,2]=4 135 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,0,0,0,0,0|2,0,2]=4 136 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,0,0,0,0,0|2,0,2]=4 137 B12R1.8 CC#CCSCc1ccccc1 62a_100000211182_100000748600 [0,0,0,0,0,0|2,0,2]=4 138 B12R1.8 CC#CCSCc1ccccc1 62a_100000748600_100015291786 [0,0,0,0,0,0|2,0,2]=4 139 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [0,0,0,0,0,0|2,0,2]=4 140 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [0,0,0,0,0,0|2,0,2]=4 141 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [0,0,0,0,0,0|2,0,2]=4 142 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [0,0,0,0,0,0|2,0,2]=4 143 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [0,0,0,0,0,0|2,0,2]=4 144 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,0,0,0,0,0|2,0,2]=4 145 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,0,0,0,0,0|2,0,2]=4 146 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,0,0,0,0,0|2,0,2]=4 147 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,0,0,0,0,0|2,0,2]=4 148 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,0,0,0,0,0|2,0,2]=4 149 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,0,0,0,0,0|2,0,2]=4 150 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.8 CCC#CCNc1ccccc1 34a_100000106764_100009813939 [0,0,0,0,0,0|2,0,2]=4 152 B12R1.8 CCC#CCOc1ccccc1 34a_100000210340_100009813939 [0,0,0,0,0,0|2,0,2]=4 153 B12R1.8 CCC#CCOc1ccccc1 7a_100000210340_100009813939 [0,0,0,0,0,0|2,0,2]=4 154 B12R1.8 CCC#CCSc1ccccc1 62a_100000719477_100009813939 [0,0,0,0,0,0|2,0,2]=4 155 B12R1.8 CCC#CCSc1ccccc1 62a_100009813939_100000041952 [0,0,0,0,0,0|2,0,2]=4 156 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,0,0,0,0,0|3,0,1]=4 157 B12R1.8 CCCC=NNc1ccccc1 4a_100015195140_100000185831 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,0,0,0,0,0|1,0,2]=3 159 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,0,0,0,0,0|2,0,2]=4 160 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,0,0,0,0,0|2,0,2]=4 161 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,0,0,0,0,0|2,0,2]=4 162 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,0,0,0,0,0|2,0,0]=2 163 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,0,0,0,0,0|4,0,0]=4 164 B12R1.8 CCCCCNc1ccncn1 27a_100000209983_100000703185 [0,0,0,0,0,0|4,0,0]=4 165 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,0,0,0,0,0|4,0,0]=4 166 B12R1.8 CCCCCNc1ncccn1 27a_100000209983_100000211032 [0,0,0,0,0,0|4,0,0]=4 167 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,0,0,0,0,0|2,0,0]=2 168 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,0,0,0,0,0|2,0,0]=2 169 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,0,0,0,0,0|3,0,0]=3 170 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,0,0,0,0,0|3,0,0]=3 171 B12R1.8 CCCCCOc1ccncc1 34a_100000212176_100000718602 [0,0,0,0,0,0|3,0,0]=3 172 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,0,0,0,0,0|4,0,0]=4 173 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,0,0,0,0,0|4,0,0]=4 174 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,0,0,0,0,0|2,0,0]=2 175 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,0,0,0,0,0|2,0,0]=2 176 B12R1.8 CCCCCSc1ccccn1 62a_100000210326_100011216584 [0,0,0,0,0,0|3,0,0]=3 177 B12R1.8 CCCCCSc1ccccn1 62a_100011216584_100000210326 [0,0,0,0,0,0|3,0,0]=3 178 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,0,0,0,0,0|3,0,0]=3 179 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,0,0,0,0,0|3,0,0]=3 180 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,0,0,0,0,0|4,0,0]=4 181 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,0,0,0,0,0|4,0,0]=4 182 B12R1.8 CCCCCSc1ccncc1 62a_100000210326_100000728582 [0,0,0,0,0,0|3,0,0]=3 183 B12R1.8 CCCCCSc1ccncc1 62a_100000728582_100000210326 [0,0,0,0,0,0|3,0,0]=3 184 B12R1.8 CCCCCSc1ccncn1 62a_100000210326_100000703185 [0,0,0,0,0,0|4,0,0]=4 185 B12R1.8 CCCCCSc1ccncn1 62a_100000703185_100000210326 [0,0,0,0,0,0|4,0,0]=4 186 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,0,0,0,0,0|4,0,0]=4 187 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,0,0,0,0,0|4,0,0]=4 188 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,0,0,0,0,0|4,0,0]=4 189 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,0,0,0,0,0|4,0,0]=4 190 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,0,0,0,0,0|4,0,0]=4 191 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,0,0,0,0,0|4,0,0]=4 192 B12R1.8 CCCCCSc1ncccn1 62a_100000210326_100000211032 [0,0,0,0,0,0|4,0,0]=4 193 B12R1.8 CCCCCSc1ncccn1 62a_100000211032_100000210326 [0,0,0,0,0,0|4,0,0]=4 194 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,0,0,0,0,0|2,0,0]=2 195 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,0,0,0,0,0|2,0,0]=2 196 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,0,0,0,0,0|2,0,0]=2 197 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,0,0,0,0,0|2,0,0]=2 198 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,0,0,0,0,0|2,0,0]=2 199 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,0,0,0,0,0|2,0,0]=2 200 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,0,0,0,0,0|3,0,0]=3 201 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,0,0,0,0,0|3,0,0]=3 202 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,0,0,0,0,0|3,0,0]=3 203 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,0,0,0,0,0|3,0,0]=3 204 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,0,0,0,0,0|3,0,0]=3 205 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,0,0,0,0,0|3,0,0]=3 206 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,0,0,0,0,0|3,0,0]=3 207 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,0,0,0,0,0|3,0,0]=3 208 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,0,0,0,0,0|4,0,0]=4 209 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,0,0,0,0,0|4,0,0]=4 210 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,0,0,0,0,0|4,0,0]=4 211 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,0,0,0,0,0|3,0,0]=3 212 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,0,0,0,0,0|3,0,0]=3 213 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,0,0,0,0,0|3,0,0]=3 214 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,0,0,0,0,0|4,0,0]=4 220 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,0,0,0,0,0|4,0,0]=4 221 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,0,0,0,0,0|4,0,0]=4 222 B12R1.8 CCCCNCc1ncccn1 2230a_100000102301_100000703007 [0,0,0,0,0,0|4,0,0]=4 223 B12R1.8 CCCCNCc1ncccn1 270004a_100000102301_100011532527 [0,0,0,0,0,0|4,0,0]=4 224 B12R1.8 CCCCNCc1ncccn1 7a_106832991798_100000703007 [0,0,0,0,0,0|4,0,0]=4 225 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,0,0,0,0,0|2,0,0]=2 226 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,0,0,0,0,0|2,0,0]=2 227 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,0,0,0,0,0|2,0,0]=2 228 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,0,0,0,0,0|2,0,0]=2 229 B12R1.8 CCCCOCc1ccccn1 34a_100000210227_100000721315 [0,0,0,0,0,0|3,0,0]=3 230 B12R1.8 CCCCOCc1ccccn1 7a_100000210227_100000721315 [0,0,0,0,0,0|3,0,0]=3 231 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,0,0,0,0,0|3,0,0]=3 232 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,0,0,0,0,0|3,0,0]=3 233 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,0,0,0,0,0|4,0,0]=4 234 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,0,0,0,0,0|4,0,0]=4 235 B12R1.8 CCCCOCc1ccncc1 7a_100000210227_100015193705 [0,0,0,0,0,0|3,0,0]=3 236 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,0,0,0,0,0|4,0,0]=4 237 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,0,0,0,0,0|4,0,0]=4 238 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,0,0,0,0,0|4,0,0]=4 239 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,0,0,0,0,0|4,0,0]=4 240 B12R1.8 CCCCOCc1ncccn1 34a_100000210227_100000703007 [0,0,0,0,0,0|4,0,0]=4 241 B12R1.8 CCCCOCc1ncccn1 7a_100000210227_100000703007 [0,0,0,0,0,0|4,0,0]=4 242 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,0,0,0,0,0|2,0,0]=2 243 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,0,0,0,0,0|2,0,0]=2 244 B12R1.8 CCCCSCc1ccccn1 62a_100000210211_100000721315 [0,0,0,0,0,0|3,0,0]=3 245 B12R1.8 CCCCSCc1ccccn1 62a_100000721315_100000210210 [0,0,0,0,0,0|3,0,0]=3 246 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,0,0,0,0,0|3,0,0]=3 247 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,0,0,0,0,0|3,0,0]=3 248 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,0,0,0,0,0|4,0,0]=4 249 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,0,0,0,0,0|4,0,0]=4 250 B12R1.8 CCCCSCc1ccncc1 62a_100000210211_100015193705 [0,0,0,0,0,0|3,0,0]=3 251 B12R1.8 CCCCSCc1ccncc1 62a_100015193705_100000210210 [0,0,0,0,0,0|3,0,0]=3 252 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,0,0,0,0,0|4,0,0]=4 253 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,0,0,0,0,0|4,0,0]=4 254 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,0,0,0,0,0|4,0,0]=4 255 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,0,0,0,0,0|4,0,0]=4 256 B12R1.8 CCCCSCc1ncccn1 62a_100000210211_100000703007 [0,0,0,0,0,0|4,0,0]=4 257 B12R1.8 CCCCSCc1ncccn1 62a_100000703007_100000210210 [0,0,0,0,0,0|4,0,0]=4 258 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,0,0,0,0,0|2,0,0]=2 259 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,0,0,0,0,0|2,0,0]=2 260 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,0,0,0,0,0|3,0,0]=3 261 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [0,0,0,0,0,0|3,0,1]=4 262 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,0,0,0,0,0|2,0,0]=2 263 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,0,0,0,0,0|2,0,0]=2 264 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,0,0,0,0,0|2,0,0]=2 265 B12R1.8 CCCOCCc1ccccn1 34a_100000210271_100000210303 [0,0,0,0,0,0|3,0,0]=3 266 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,0,0,0,0,0|3,0,0]=3 267 B12R1.8 CCCOCCc1ccncc1 34a_100011216225_100000210303 [0,0,0,0,0,0|3,0,0]=3 268 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,0,0,0,0,0|4,0,0]=4 269 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,0,0,0,0,0|4,0,0]=4 270 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,0,0,0,0,0|2,0,0]=2 271 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,0,0,0,0,0|2,0,0]=2 272 B12R1.8 CCCSCCc1ccccn1 62a_100000210303_100015183660 [0,0,0,0,0,0|3,0,0]=3 273 B12R1.8 CCCSCCc1ccccn1 62a_100015183660_100000210303 [0,0,0,0,0,0|3,0,0]=3 274 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,0,0,0,0,0|3,0,0]=3 275 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,0,0,0,0,0|3,0,0]=3 276 B12R1.8 CCCSCCc1ccncc1 62a_100000210303_100000723409 [0,0,0,0,0,0|3,0,0]=3 277 B12R1.8 CCCSCCc1ccncc1 62a_100000723409_100000210303 [0,0,0,0,0,0|3,0,0]=3 278 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,0,0,0,0,0|3,0,0]=3 279 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,0,0,0,0,0|3,0,0]=3 280 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,0,0,0,0,0|2,0,2]=4 281 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,0,0,0,0,0|2,0,2]=4 282 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,0,0,0,0,0|2,0,2]=4 283 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,0,0,0,0,0|2,0,2]=4 284 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,0,0,0,0,0|2,0,2]=4 285 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,0,0,0,0,0|2,0,2]=4 286 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,0,0,0,0,0|2,0,0]=2 287 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,0,0,0,0,0|2,0,0]=2 288 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,0,0,0,0,0|2,0,0]=2 289 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,0,0,0,0,0|3,0,0]=3 290 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,0,0,0,0,0|3,0,0]=3 291 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,0,0,0,0,0|3,0,0]=3 292 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,0,0,0,0,0|3,0,0]=3 293 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,0,0,0,0,0|3,0,0]=3 294 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,0,0,0,0,0|3,0,0]=3 295 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,0,0,0,0,0|3,0,0]=3 296 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,0,0,0,0,0|4,0,0]=4 297 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,0,0,0,0,0|4,0,0]=4 298 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,0,0,0,0,0|3,0,0]=3 299 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,0,0,0,0,0|3,0,0]=3 300 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,0,0,0,0,0|3,0,0]=3 301 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,0,0,0,0,0|3,0,0]=3 302 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,0,0,0,0,0|3,0,1]=4 303 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,0,0,0,0,0|2,0,2]=4 304 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,0,0,0,0,0|2,0,2]=4 305 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [0,0,0,0,0,0|2,0,2]=4 306 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [0,0,0,0,0,0|2,0,2]=4 307 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [0,0,0,0,0,0|2,0,2]=4 308 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,0,0,0,0,0|2,0,2]=4 309 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,0,0,0,0,0|2,0,0]=2 310 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,0,0,0,0,0|2,0,0]=2 311 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,0,0,0,0,0|2,0,0]=2 312 B12R1.8 CCOCCCc1ccccn1 34a_100011215068_100000210202 [0,0,0,0,0,0|3,0,0]=3 313 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,0,0,0,0,0|3,0,0]=3 314 B12R1.8 CCOCCCc1ccncc1 34a_100000210659_100000210202 [0,0,0,0,0,0|3,0,0]=3 315 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,0,0,0,0,0|3,0,0]=3 316 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,0,0,0,0,0|3,0,0]=3 317 B12R1.8 CCOCCNc1ccncc1 34a_200011243140_100000210202 [0,0,0,0,0,0|4,0,0]=4 318 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,0,0,0,0,0|3,0,0]=3 319 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,0,0,0,0,0|3,0,0]=3 320 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,0,0,0,0,0|3,0,0]=3 321 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,0,0,0,0,0|3,0,0]=3 322 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,0,0,0,0,0|3,0,0]=3 323 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,0,0,0,0,0|4,0,0]=4 324 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,0,0,0,0,0|4,0,0]=4 325 B12R1.8 CCOCCOc1ccncc1 34a_100000212176_100000210147 [0,0,0,0,0,0|4,0,0]=4 326 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,0,0,0,0,0|3,0,0]=3 327 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,0,0,0,0,0|3,0,0]=3 328 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,0,0,0,0,0|3,0,0]=3 329 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,0,0,0,0,0|3,0,0]=3 330 B12R1.8 CCOCCSc1ccccn1 62a_100000210147_100011216584 [0,0,0,0,0,0|4,0,0]=4 331 B12R1.8 CCOCCSc1ccccn1 62a_100011216584_100011215890 [0,0,0,0,0,0|4,0,0]=4 332 B12R1.8 CCOCCSc1ccccn1 7a_100000156319_100000210202 [0,0,0,0,0,0|4,0,0]=4 333 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,0,0,0,0,0|4,0,0]=4 334 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,0,0,0,0,0|4,0,0]=4 335 B12R1.8 CCOCCSc1ccncc1 62a_100000210147_100000728582 [0,0,0,0,0,0|4,0,0]=4 336 B12R1.8 CCOCCSc1ccncc1 62a_100000728582_100011215890 [0,0,0,0,0,0|4,0,0]=4 337 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,0,0,0,0,0|3,0,0]=3 338 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,0,0,0,0,0|3,0,0]=3 339 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,0,0,0,0,0|3,0,0]=3 340 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,0,0,0,0,0|3,0,0]=3 341 B12R1.8 CCOCSCc1ccccn1 62a_100000721315_100000739092 [0,0,0,0,0,0|4,0,0]=4 342 B12R1.8 CCOCSCc1ccccn1 62a_100000739092_100000721315 [0,0,0,0,0,0|4,0,0]=4 343 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,0,0,0,0,0|4,0,0]=4 344 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,0,0,0,0,0|4,0,0]=4 345 B12R1.8 CCOCSCc1ccncc1 62a_100000739092_100015193705 [0,0,0,0,0,0|4,0,0]=4 346 B12R1.8 CCOCSCc1ccncc1 62a_100015193705_100000739092 [0,0,0,0,0,0|4,0,0]=4 347 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,0,0,0,0,0|2,0,2]=4 348 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,0,0,0,0,0|2,0,2]=4 349 B12R1.8 CCSCC#Cc1ccccc1 62a_100000210202_100011352542 [0,0,0,0,0,0|2,0,2]=4 350 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,0,0,0,0,0|2,0,0]=2 351 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,0,0,0,0,0|2,0,0]=2 352 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,0,0,0,0,0|3,0,0]=3 353 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,0,0,0,0,0|3,0,0]=3 354 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,0,0,0,0,0|3,0,0]=3 355 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,0,0,0,0,0|3,0,0]=3 356 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,0,0,0,0,0|3,0,0]=3 357 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,0,0,0,0,0|4,0,0]=4 358 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,0,0,0,0,0|4,0,0]=4 359 B12R1.8 CCSCCOc1ccncc1 34a_100000212176_100000757381 [0,0,0,0,0,0|4,0,0]=4 360 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,0,0,0,0,0|3,0,0]=3 361 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,0,0,0,0,0|3,0,0]=3 362 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,0,0,0,0,0|3,0,0]=3 363 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,0,0,0,0,0|3,0,0]=3 364 B12R1.8 CCSCCSc1ccccn1 62a_100000757381_100011216584 [0,0,0,0,0,0|4,0,0]=4 365 B12R1.8 CCSCCSc1ccccn1 62a_100011216584_100000757381 [0,0,0,0,0,0|4,0,0]=4 366 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,0,0,0,0,0|4,0,0]=4 367 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,0,0,0,0,0|4,0,0]=4 368 B12R1.8 CCSCCSc1ccncc1 62a_100000728582_100000757381 [0,0,0,0,0,0|4,0,0]=4 369 B12R1.8 CCSCCSc1ccncc1 62a_100000757381_100000728582 [0,0,0,0,0,0|4,0,0]=4 370 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,0,0,0,0,0|3,0,0]=3 371 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,0,0,0,0,0|3,0,0]=3 372 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,0,0,0,0,0|3,0,0]=3 373 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,0,0,0,0,0|3,0,0]=3 374 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,0,0,0,0,0|2,0,0]=2 375 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,0,0,0,0,0|2,0,0]=2 376 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,0,0,0,0,0|2,0,0]=2 377 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,0,0,0,0,0|2,0,0]=2 378 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,0,0,0,0,0|2,0,0]=2 379 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,0,0,0,0,0|3,0,0]=3 380 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,0,0,0,0,0|3,0,0]=3 381 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,0,0,0,0,0|3,0,0]=3 382 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,0,0,0,0,0|3,0,0]=3 383 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,0,0,0,0,0|3,0,0]=3 384 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,0,0,0,0,0|3,0,0]=3 385 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,0,0,0,0,0|3,0,0]=3 386 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,0,0,0,0,0|3,0,0]=3 387 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,0,0,0,0,0|3,0,0]=3 388 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,0,0,0,0,0|3,0,0]=3 389 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,0,0,0,0,0|3,0,0]=3 390 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,0,0,0,0,0|3,0,0]=3 391 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,0,0,0,0,0|3,0,0]=3 392 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,0,0,0,0,0|3,0,0]=3 393 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,0,0,0,0,0|3,0,0]=3 394 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,0,0,0,0,0|3,0,0]=3 395 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,0,0,0,0,0|3,0,0]=3 396 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,0,0,0,0,0|3,0,0]=3 397 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,0,0,0,0,0|3,0,0]=3 398 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,0,0,0,0,0|3,0,0]=3 399 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,0,0,0,0,0|3,0,0]=3 400 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,0,0,0,0,0|2,0,2]=4 401 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,0,0,0,0,0|2,0,2]=4 402 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,0,0,0,0,0|2,0,0]=2 403 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,0,0,0,0,0|2,0,0]=2 404 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,0,0,0,0,0|2,0,0]=2 405 B12R1.8 COCCCCc1ccccn1 34a_100012186994_200000210301 [0,0,0,0,0,0|3,0,0]=3 406 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,0,0,0,0,0|3,0,0]=3 407 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,0,0,0,0,0|3,0,0]=3 408 B12R1.8 COCCCCc1ccncc1 34a_100011787716_200000210301 [0,0,0,0,0,0|3,0,0]=3 409 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,0,0,0,0,0|3,0,0]=3 410 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,0,0,0,0,0|3,0,0]=3 411 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,0,0,0,0,0|3,0,0]=3 412 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,0,0,0,0,0|3,0,0]=3 413 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,0,0,0,0,0|3,0,0]=3 414 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,0,0,0,0,0|3,0,0]=3 415 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,0,0,0,0,0|3,0,0]=3 416 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,0,0,0,0,0|4,0,0]=4 417 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,0,0,0,0,0|4,0,0]=4 418 B12R1.8 COCCCOc1ccncc1 34a_100000212176_100000740836 [0,0,0,0,0,0|4,0,0]=4 419 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,0,0,0,0,0|3,0,0]=3 420 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,0,0,0,0,0|3,0,0]=3 421 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,0,0,0,0,0|3,0,0]=3 422 B12R1.8 COCCCSc1ccccn1 62a_100000709357_100011216584 [0,0,0,0,0,0|4,0,0]=4 423 B12R1.8 COCCCSc1ccccn1 62a_100011216584_100000709357 [0,0,0,0,0,0|4,0,0]=4 424 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,0,0,0,0,0|4,0,0]=4 425 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,0,0,0,0,0|4,0,0]=4 426 B12R1.8 COCCCSc1ccncc1 62a_100000709357_100000728582 [0,0,0,0,0,0|4,0,0]=4 427 B12R1.8 COCCCSc1ccncc1 62a_100000728582_100000709357 [0,0,0,0,0,0|4,0,0]=4 428 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,0,0,0,0,0|3,0,0]=3 429 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,0,0,0,0,0|3,0,0]=3 430 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,0,0,0,0,0|3,0,0]=3 431 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,0,0,0,0,0|3,0,0]=3 432 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,0,0,0,0,0|3,0,0]=3 433 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,0,0,0,0,0|3,0,0]=3 434 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,0,0,0,0,0|4,0,0]=4 435 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,0,0,0,0,0|4,0,0]=4 436 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,0,0,0,0,0|4,0,0]=4 437 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,0,0,0,0,0|4,0,0]=4 438 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,0,0,0,0,0|4,0,0]=4 439 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,0,0,0,0,0|4,0,0]=4 440 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,0,0,0,0,0|4,0,0]=4 441 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,0,0,0,0,0|4,0,0]=4 442 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,0,0,0,0,0|3,0,0]=3 443 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,0,0,0,0,0|3,0,0]=3 444 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,0,0,0,0,0|3,0,0]=3 445 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,0,0,0,0,0|3,0,0]=3 446 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,0,0,0,0,0|3,0,0]=3 447 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,0,0,0,0,0|3,0,0]=3 448 B12R1.8 COCCOCc1ccccn1 34a_100000210237_100000721315 [0,0,0,0,0,0|4,0,0]=4 449 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,0,0,0,0,0|4,0,0]=4 450 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,0,0,0,0,0|3,0,0]=3 451 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,0,0,0,0,0|3,0,0]=3 452 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,0,0,0,0,0|3,0,0]=3 453 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,0,0,0,0,0|3,0,0]=3 454 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,0,0,0,0,0|3,0,0]=3 455 B12R1.8 COCCSCc1ccccn1 62a_100000233755_100000721315 [0,0,0,0,0,0|4,0,0]=4 456 B12R1.8 COCCSCc1ccccn1 62a_100000721315_100000233755 [0,0,0,0,0,0|4,0,0]=4 457 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,0,0,0,0,0|4,0,0]=4 458 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,0,0,0,0,0|4,0,0]=4 459 B12R1.8 COCCSCc1ccncc1 62a_100000233755_100015193705 [0,0,0,0,0,0|4,0,0]=4 460 B12R1.8 COCCSCc1ccncc1 62a_100015193705_100000233755 [0,0,0,0,0,0|4,0,0]=4 461 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,0,0,0,0,0|3,0,0]=3 462 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,0,0,0,0,0|4,0,0]=4 463 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,0,0,0,0,0|3,0,0]=3 464 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,0,0,0,0,0|3,0,0]=3 465 B12R1.8 COCSCCc1ccccn1 62a_100000766300_100015183660 [0,0,0,0,0,0|4,0,0]=4 466 B12R1.8 COCSCCc1ccccn1 62a_100015183660_100000766300 [0,0,0,0,0,0|4,0,0]=4 467 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,0,0,0,0,0|4,0,0]=4 468 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,0,0,0,0,0|4,0,0]=4 469 B12R1.8 COCSCCc1ccncc1 62a_100000723409_100000766300 [0,0,0,0,0,0|4,0,0]=4 470 B12R1.8 COCSCCc1ccncc1 62a_100000766300_100000723409 [0,0,0,0,0,0|4,0,0]=4 471 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,0,0,0,0,0|4,0,0]=4 472 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,0,0,0,0,0|4,0,0]=4 473 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,0,0,0,0,0|2,0,0]=2 474 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,0,0,0,0,0|2,0,0]=2 475 B12R1.8 CSCCCCc1ccncc1 62a_100020630000_200000210301 [0,0,0,0,0,0|3,0,0]=3 476 B12R1.8 CSCCCCc1ccncc1 62a_200000210301_100020630000 [0,0,0,0,0,0|3,0,0]=3 477 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,0,0,0,0,0|3,0,0]=3 478 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,0,0,0,0,0|3,0,0]=3 479 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,0,0,0,0,0|3,0,0]=3 480 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,0,0,0,0,0|3,0,0]=3 481 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,0,0,0,0,0|3,0,0]=3 482 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,0,0,0,0,0|3,0,0]=3 483 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,0,0,0,0,0|3,0,0]=3 484 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,0,0,0,0,0|3,0,0]=3 485 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,0,0,0,0,0|3,0,0]=3 486 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,0,0,0,0,0|4,0,0]=4 487 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,0,0,0,0,0|4,0,0]=4 488 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,0,0,0,0,0|4,0,0]=4 489 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,0,0,0,0,0|4,0,0]=4 490 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,0,0,0,0,0|4,0,0]=4 491 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,0,0,0,0,0|4,0,0]=4 492 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,0,0,0,0,0|4,0,0]=4 493 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,0,0,0,0,0|4,0,0]=4 494 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,0,0,0,0,0|3,0,0]=3 495 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,0,0,0,0,0|3,0,0]=3 496 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,0,0,0,0,0|3,0,0]=3 497 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,0,0,0,0,0|3,0,0]=3 498 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,0,0,0,0,0|3,0,0]=3 499 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,0,0,0,0,0|3,0,0]=3 500 B12R1.8 CSCCOCc1ccccn1 34a_100000230434_100000721315 [0,0,0,0,0,0|4,0,0]=4 501 B12R1.8 CSCCOCc1ccccn1 7a_100000230434_100000721315 [0,0,0,0,0,0|4,0,0]=4 502 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,0,0,0,0,0|4,0,0]=4 503 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,0,0,0,0,0|4,0,0]=4 504 B12R1.8 CSCCOCc1ccncc1 7a_100000230434_100015193705 [0,0,0,0,0,0|4,0,0]=4 505 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,0,0,0,0,0|3,0,0]=3 506 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,0,0,0,0,0|3,0,0]=3 507 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,0,0,0,0,0|3,0,0]=3 508 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,0,0,0,0,0|3,0,0]=3 509 B12R1.8 CSCCSCc1ccccn1 62a_100000212216_100000721315 [0,0,0,0,0,0|4,0,0]=4 510 B12R1.8 CSCCSCc1ccccn1 62a_100000721315_100000751147 [0,0,0,0,0,0|4,0,0]=4 511 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,0,0,0,0,0|4,0,0]=4 512 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,0,0,0,0,0|4,0,0]=4 513 B12R1.8 CSCCSCc1ccncc1 62a_100000212216_100015193705 [0,0,0,0,0,0|4,0,0]=4 514 B12R1.8 CSCCSCc1ccncc1 62a_100015193705_100000751147 [0,0,0,0,0,0|4,0,0]=4 515 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,0,0,0,0,0|3,0,0]=3 516 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,0,0,0,0,0|3,0,0]=3 517 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,0,0,0,0,0|4,0,0]=4 518 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,0,0,0,0,0|3,0,0]=3 519 B12R1.8 CSCOCCc1ccccn1 34a_100000210271_100011218213 [0,0,0,0,0,0|4,0,0]=4 520 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,0,0,0,0,0|4,0,0]=4 521 B12R1.8 CSCOCCc1ccncc1 34a_100011216225_100011218213 [0,0,0,0,0,0|4,0,0]=4 522 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,0,0,0,0,0|3,0,0]=3 523 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,0,0,0,0,0|3,0,0]=3 524 B12R1.8 CSCSCCc1ccccn1 62a_100011218213_100015183660 [0,0,0,0,0,0|4,0,0]=4 525 B12R1.8 CSCSCCc1ccccn1 62a_100015183660_100011218213 [0,0,0,0,0,0|4,0,0]=4 526 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,0,0,0,0,0|4,0,0]=4 527 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,0,0,0,0,0|4,0,0]=4 528 B12R1.8 CSCSCCc1ccncc1 62a_100000723409_100011218213 [0,0,0,0,0,0|4,0,0]=4 529 B12R1.8 CSCSCCc1ccncc1 62a_100011218213_100000723409 [0,0,0,0,0,0|4,0,0]=4 530 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,0,0,0,0,0|4,0,0]=4 531 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,0,0,0,0,0|4,0,0]=4 532 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,0,0,0,0,0|2,0,0]=2 533 B12R1.8 ClCCCOCc1ccccn1 34a_100000230001_100000721315 [0,0,0,0,0,0|3,0,0]=3 534 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,0,0,0,0,0|3,0,0]=3 535 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,0,0,0,0,0|4,0,0]=4 536 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,0,0,0,0,0|4,0,0]=4 537 B12R1.8 ClCCCOCc1cncnc1 34a_100000230001_100015196519 [0,0,0,0,0,0|4,0,0]=4 538 B12R1.8 ClCCCOCc1ncccn1 34a_100000230001_100000703007 [0,0,0,0,0,0|4,0,0]=4 539 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,0,0,0,0,0|2,0,0]=2 540 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,0,0,0,0,0|2,0,0]=2 541 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,0,0,0,0,0|2,0,0]=2 542 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,0,0,0,0,0|3,0,0]=3 543 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,0,0,0,0,0|3,0,0]=3 544 B12R1.8 FCCCCOc1ccncc1 34a_100000212176_100000729493 [0,0,0,0,0,0|3,0,0]=3 545 B12R1.8 FCCCCOc1ccnnc1 34a_100015204005_100000729493 [0,0,0,0,0,0|4,0,0]=4 546 B12R1.8 FCCCCOc1cncnc1 7a_100000754086_100000729493 [0,0,0,0,0,0|4,0,0]=4 547 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,0,0,0,0,0|2,0,0]=2 548 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,0,0,0,0,0|2,0,0]=2 549 B12R1.8 FCCCCSc1ccccn1 62a_100000729493_100011216584 [0,0,0,0,0,0|3,0,0]=3 550 B12R1.8 FCCCCSc1ccccn1 62a_100011216584_100000729493 [0,0,0,0,0,0|3,0,0]=3 551 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,0,0,0,0,0|3,0,0]=3 552 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,0,0,0,0,0|3,0,0]=3 553 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,0,0,0,0,0|4,0,0]=4 554 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,0,0,0,0,0|4,0,0]=4 555 B12R1.8 FCCCCSc1ccncc1 62a_100000728582_100000729493 [0,0,0,0,0,0|3,0,0]=3 556 B12R1.8 FCCCCSc1ccncc1 62a_100000729493_100000728582 [0,0,0,0,0,0|3,0,0]=3 557 B12R1.8 FCCCCSc1ccncn1 62a_100000703185_100000729493 [0,0,0,0,0,0|4,0,0]=4 558 B12R1.8 FCCCCSc1ccncn1 62a_100000729493_100000703185 [0,0,0,0,0,0|4,0,0]=4 559 B12R1.8 FCCCCSc1ccnnc1 62a_100000729493_100000732662 [0,0,0,0,0,0|4,0,0]=4 560 B12R1.8 FCCCCSc1ccnnc1 62a_100000732662_100000729493 [0,0,0,0,0,0|4,0,0]=4 561 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,0,0,0,0,0|4,0,0]=4 562 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,0,0,0,0,0|4,0,0]=4 563 B12R1.8 FCCCCSc1cncnc1 62a_100000729493_100011206942 [0,0,0,0,0,0|4,0,0]=4 564 B12R1.8 FCCCCSc1cncnc1 62a_100011206942_100000729493 [0,0,0,0,0,0|4,0,0]=4 565 B12R1.8 FCCCCSc1ncccn1 62a_100000211032_100000729493 [0,0,0,0,0,0|4,0,0]=4 566 B12R1.8 FCCCCSc1ncccn1 62a_100000729493_100000211032 [0,0,0,0,0,0|4,0,0]=4 567 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,0,0,0,0,0|2,0,0]=2 568 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,0,0,0,0,0|2,0,0]=2 569 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,0,0,0,0,0|2,0,0]=2 570 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,0,0,0,0,0|2,0,0]=2 571 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,0,0,0,0,0|2,0,0]=2 572 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,0,0,0,0,0|2,0,0]=2 573 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,0,0,0,0,0|3,0,0]=3 574 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,0,0,0,0,0|3,0,0]=3 575 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,0,0,0,0,0|3,0,0]=3 576 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,0,0,0,0,0|3,0,0]=3 577 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,0,0,0,0,0|3,0,0]=3 578 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,0,0,0,0,0|3,0,0]=3 579 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,0,0,0,0,0|3,0,0]=3 580 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,0,0,0,0,0|3,0,0]=3 581 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,0,0,0,0,0|4,0,0]=4 582 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,0,0,0,0,0|4,0,0]=4 583 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,0,0,0,0,0|4,0,0]=4 584 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,0,0,0,0,0|3,0,0]=3 585 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,0,0,0,0,0|3,0,0]=3 586 B12R1.8 FCCCNCc1ccnnc1 270004a_100015189416_100011934578 [0,0,0,0,0,0|4,0,0]=4 587 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,0,0,0,0,0|4,0,0]=4 588 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,0,0,0,0,0|4,0,0]=4 589 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,0,0,0,0,0|4,0,0]=4 590 B12R1.8 FCCCNCc1cncnc1 2230a_100011243677_100011934791 [0,0,0,0,0,0|4,0,0]=4 591 B12R1.8 FCCCNCc1cncnc1 2230a_100015189416_100015196519 [0,0,0,0,0,0|4,0,0]=4 592 B12R1.8 FCCCNCc1cncnc1 270004a_100015189416_100000749868 [0,0,0,0,0,0|4,0,0]=4 593 B12R1.8 FCCCNCc1cncnc1 34a_100015189416_100015196519 [0,0,0,0,0,0|4,0,0]=4 594 B12R1.8 FCCCNCc1ncccn1 2230a_100015189416_100000703007 [0,0,0,0,0,0|4,0,0]=4 595 B12R1.8 FCCCNCc1ncccn1 270004a_100015189416_100011532527 [0,0,0,0,0,0|4,0,0]=4 596 B12R1.8 FCCCNCc1ncccn1 34a_100015189416_100000703007 [0,0,0,0,0,0|4,0,0]=4 597 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,0,0,0,0,0|2,0,0]=2 598 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,0,0,0,0,0|2,0,0]=2 599 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,0,0,0,0,0|2,0,0]=2 600 B12R1.8 FCCCOCc1ccccn1 34a_100000759539_100000721315 [0,0,0,0,0,0|3,0,0]=3 601 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,0,0,0,0,0|3,0,0]=3 602 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,0,0,0,0,0|4,0,0]=4 603 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,0,0,0,0,0|4,0,0]=4 604 B12R1.8 FCCCOCc1cncnc1 34a_100000759539_100015196519 [0,0,0,0,0,0|4,0,0]=4 605 B12R1.8 FCCCOCc1ncccn1 34a_100000759539_100000703007 [0,0,0,0,0,0|4,0,0]=4 606 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,0,0,0,0,0|2,0,0]=2 607 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,0,0,0,0,0|2,0,0]=2 608 B12R1.8 FCCCSCc1ccccn1 62a_100000721315_100011934791 [0,0,0,0,0,0|3,0,0]=3 609 B12R1.8 FCCCSCc1ccccn1 62a_100011934791_100000721315 [0,0,0,0,0,0|3,0,0]=3 610 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,0,0,0,0,0|3,0,0]=3 611 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,0,0,0,0,0|3,0,0]=3 612 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,0,0,0,0,0|4,0,0]=4 613 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,0,0,0,0,0|4,0,0]=4 614 B12R1.8 FCCCSCc1ccncc1 62a_100011934791_100015193705 [0,0,0,0,0,0|3,0,0]=3 615 B12R1.8 FCCCSCc1ccncc1 62a_100015193705_100011934791 [0,0,0,0,0,0|3,0,0]=3 616 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,0,0,0,0,0|4,0,0]=4 617 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,0,0,0,0,0|4,0,0]=4 618 B12R1.8 FCCCSCc1cncnc1 62a_100011934791_100015196519 [0,0,0,0,0,0|4,0,0]=4 619 B12R1.8 FCCCSCc1cncnc1 62a_100015196519_100011934791 [0,0,0,0,0,0|4,0,0]=4 620 B12R1.8 FCCCSCc1ncccn1 62a_100000703007_100011934791 [0,0,0,0,0,0|4,0,0]=4 621 B12R1.8 FCCCSCc1ncccn1 62a_100011934791_100000703007 [0,0,0,0,0,0|4,0,0]=4 622 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,0,0,0,0,0|2,0,0]=2 623 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,0,0,0,0,0|2,0,0]=2 624 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,0,0,0,0,0|2,0,0]=2 625 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,0,0,0,0,0|3,0,0]=3 626 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,0,0,0,0,0|2,0,0]=2 627 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,0,0,0,0,0|2,0,0]=2 628 B12R1.8 FCCOCCc1ccccn1 34a_100000210271_100011217306 [0,0,0,0,0,0|3,0,0]=3 629 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,0,0,0,0,0|3,0,0]=3 630 B12R1.8 FCCOCCc1ccncc1 34a_100011216225_100011217306 [0,0,0,0,0,0|3,0,0]=3 631 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,0,0,0,0,0|4,0,0]=4 632 B12R1.8 FCCOCCc1cncnc1 34a_100011709255_100011217306 [0,0,0,0,0,0|4,0,0]=4 633 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,0,0,0,0,0|2,0,0]=2 634 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,0,0,0,0,0|2,0,0]=2 635 B12R1.8 FCCSCCc1ccccn1 62a_100011217306_100015183660 [0,0,0,0,0,0|3,0,0]=3 636 B12R1.8 FCCSCCc1ccccn1 62a_100015183660_100011217306 [0,0,0,0,0,0|3,0,0]=3 637 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,0,0,0,0,0|3,0,0]=3 638 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,0,0,0,0,0|3,0,0]=3 639 B12R1.8 FCCSCCc1ccncc1 62a_100000723409_100011217306 [0,0,0,0,0,0|3,0,0]=3 640 B12R1.8 FCCSCCc1ccncc1 62a_100011217306_100000723409 [0,0,0,0,0,0|3,0,0]=3 641 B12R1.8 FCCSCSc1ccccc1 62a_100011217306_100011218342 [0,0,0,0,0,0|3,0,0]=3 642 B12R1.8 FCCSCSc1ccccc1 62a_100011218342_100011217306 [0,0,0,0,0,0|3,0,0]=3 643 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,0,0,0,0,0|2,0,2]=4 644 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,0,0,0,0,0|2,0,2]=4 645 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,0,0,0,0,0|2,0,0]=2 646 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,0,0,0,0,0|3,0,0]=3 647 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,0,0,0,0,0|3,0,0]=3 648 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,0,0,0,0,0|2,0,2]=4 649 B12R1.8 FCOCC#Cc1ccccc1 34a_100011217464_100015361967 [0,0,0,0,0,0|2,0,2]=4 650 B12R1.8 FCOCC#Cc1ccccc1 7a_100011217464_100015361967 [0,0,0,0,0,0|2,0,2]=4 651 B12R1.8 FCOCCCC1=CCC=CC1 34a_100020667889_100015361967 [0,0,0,0,0,0|2,0,2]=4 652 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,0,0,0,0,0|2,0,0]=2 653 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,0,0,0,0,0|2,0,0]=2 654 B12R1.8 FCOCCCc1ccccn1 34a_100011215068_100015361967 [0,0,0,0,0,0|3,0,0]=3 655 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,0,0,0,0,0|3,0,0]=3 656 B12R1.8 FCOCCCc1ccncc1 34a_100000210659_100015361967 [0,0,0,0,0,0|3,0,0]=3 657 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,0,0,0,0,0|3,0,0]=3 658 B12R1.8 FCOCCNc1ccncc1 34a_200011243140_100015361967 [0,0,0,0,0,0|4,0,0]=4 659 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,0,0,0,0,0|3,0,0]=3 660 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,0,0,0,0,0|3,0,0]=3 661 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,0,0,0,0,0|3,0,0]=3 662 B12R1.8 FCOCCSc1ccccn1 7a_100000156319_100015361967 [0,0,0,0,0,0|4,0,0]=4 663 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,0,0,0,0,0|2,0,2]=4 664 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,0,0,0,0,0|2,0,2]=4 665 B12R1.8 FCSCC#Cc1ccccc1 62a_100015361967_100011352542 [0,0,0,0,0,0|2,0,2]=4 666 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,0,0,0,0,0|2,0,0]=2 667 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,0,0,0,0,0|2,0,0]=2 668 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,0,0,0,0,0|3,0,0]=3 669 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,0,0,0,0,0|3,0,0]=3 670 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,0,0,0,0,0|3,0,0]=3 671 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,0,0,0,0,0|3,0,0]=3 672 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,0,0,0,0,0|3,0,0]=3 673 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,0,0,0,0,0|3,0,0]=3 674 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,0,0,0,0,0|3,0,0]=3 675 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,0,0,0,0,0|3,0,0]=3 676 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,0,0,0,0,0|2,0,1]=3 677 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,0,0,0,0,0|3,0,1]=4 678 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [0,0,0,0,0,0|2,0,1]=3 679 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [0,0,0,0,0,0|2,0,1]=3 680 B12R1.8 N#CCCCSc1ccccn1 62a_100000687738_100011216584 [0,0,0,0,0,0|3,0,1]=4 681 B12R1.8 N#CCCCSc1ccccn1 62a_100011216584_100000687738 [0,0,0,0,0,0|3,0,1]=4 682 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [0,0,0,0,0,0|3,0,1]=4 683 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [0,0,0,0,0,0|3,0,1]=4 684 B12R1.8 N#CCCCSc1ccncc1 62a_100000687738_100000728582 [0,0,0,0,0,0|3,0,1]=4 685 B12R1.8 N#CCCCSc1ccncc1 62a_100000728582_100000687738 [0,0,0,0,0,0|3,0,1]=4 686 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,0,0,0,0,0|2,0,1]=3 687 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,0,0,0,0,0|2,0,1]=3 688 B12R1.8 N#CCCNCc1ccccn1 270004a_100000720768_100000209966 [0,0,0,0,0,0|3,0,1]=4 689 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [0,0,0,0,0,0|3,0,1]=4 690 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,0,0,0,0,0|2,0,1]=3 691 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [0,0,0,0,0,0|2,0,1]=3 692 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [0,0,0,0,0,0|2,0,1]=3 693 B12R1.8 N#CCCSCc1ccccn1 62a_100000721315_100011215226 [0,0,0,0,0,0|3,0,1]=4 694 B12R1.8 N#CCCSCc1ccccn1 62a_100011215226_100000721315 [0,0,0,0,0,0|3,0,1]=4 695 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [0,0,0,0,0,0|3,0,1]=4 696 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [0,0,0,0,0,0|3,0,1]=4 697 B12R1.8 N#CCCSCc1ccncc1 62a_100011215226_100015193705 [0,0,0,0,0,0|3,0,1]=4 698 B12R1.8 N#CCCSCc1ccncc1 62a_100015193705_100011215226 [0,0,0,0,0,0|3,0,1]=4 699 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,0,0,0,0,0|2,0,1]=3 700 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,0,0,0,0,0|3,0,1]=4 701 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,0,0,0,0,0|2,0,1]=3 702 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,0,0,0,0,0|2,0,1]=3 703 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,0,0,0,0,0|2,0,1]=3 704 B12R1.8 N#CCSCCc1ccccn1 62a_100011215382_100015183660 [0,0,0,0,0,0|3,0,1]=4 705 B12R1.8 N#CCSCCc1ccccn1 62a_100015183660_100011215382 [0,0,0,0,0,0|3,0,1]=4 706 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [0,0,0,0,0,0|3,0,1]=4 707 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [0,0,0,0,0,0|3,0,1]=4 708 B12R1.8 N#CCSCCc1ccncc1 62a_100000723409_100011215382 [0,0,0,0,0,0|3,0,1]=4 709 B12R1.8 N#CCSCCc1ccncc1 62a_100011215382_100000723409 [0,0,0,0,0,0|3,0,1]=4 710 B12R1.8 N#CCSCSc1ccccc1 62a_100011215382_100011218342 [0,0,0,0,0,0|3,0,1]=4 711 B12R1.8 N#CCSCSc1ccccc1 62a_100011218342_100011215382 [0,0,0,0,0,0|3,0,1]=4 712 B12R1.8 N#CSCCSc1ccccc1 62a_100000034367_100000041952 [0,0,0,0,0,0|3,0,1]=4 713 B12R1.8 N#CSCCSc1ccccc1 62a_100000719477_100000034367 [0,0,0,0,0,0|3,0,1]=4 714 B12R1.8 N#CSCSCc1ccccc1 62a_100000211182_100000211825 [0,0,0,0,0,0|3,0,1]=4 715 B12R1.8 N#CSCSCc1ccccc1 62a_100000211825_100015291786 [0,0,0,0,0,0|3,0,1]=4 716 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,0,0,0,0,0|2,0,0]=2 717 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,0,0,0,0,0|3,0,0]=3 718 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,0,0,0,0,0|3,0,0]=3 719 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,0,0,0,0,0|4,0,0]=4 720 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,0,0,0,0,0|4,0,0]=4 721 B12R1.8 NCCCOCc1cncnc1 34a_100000182051_100015196519 [0,0,0,0,0,0|4,0,0]=4 722 B12R1.8 NCCCOCc1ncccn1 34a_100000182051_100000703007 [0,0,0,0,0,0|4,0,0]=4 723 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,0,0,0,0,0|2,0,0]=2 724 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,0,0,0,0,0|3,0,0]=3 725 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,0,0,0,0,0|4,0,0]=4 726 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,0,0,0,0,0|4,0,0]=4 727 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,0,0,0,0,0|1,0,2]=3 728 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,0,0,0,0,0|2,0,2]=4 729 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,0,0,0,0,0|1,0,2]=3 730 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,0,0,0,0,0|1,0,2]=3 731 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,0,0,0,0,0|2,0,2]=4 732 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,0,0,0,0,0|2,0,2]=4 733 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,0,0,0,0,0|2,0,2]=4 734 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,0,0,0,0,0|2,0,2]=4 735 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [0,0,0,0,0,0|2,0,2]=4 736 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [0,0,0,0,0,0|2,0,2]=4 737 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,0,0,0,0,0|1,0,2]=3 738 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,0,0,0,0,0|1,0,2]=3 739 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,0,0,0,0,0|2,0,2]=4 740 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,0,0,0,0,0|1,0,2]=3 741 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,0,0,0,0,0|1,0,2]=3 742 B12R1.8 O=CCOCCc1ccccn1 34a_100000210271_200009817547 [0,0,0,0,0,0|2,0,2]=4 743 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,0,0,0,0,0|2,0,2]=4 744 B12R1.8 O=CCOCCc1ccncc1 34a_100011216225_200009817547 [0,0,0,0,0,0|2,0,2]=4 745 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,0,0,0,0,0|1,0,2]=3 746 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,0,0,0,0,0|1,0,2]=3 747 B12R1.8 O=CCSCCc1ccccn1 62a_100015183660_200015260668 [0,0,0,0,0,0|2,0,2]=4 748 B12R1.8 O=CCSCCc1ccccn1 62a_200015260668_100015183660 [0,0,0,0,0,0|2,0,2]=4 749 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,0,0,0,0,0|2,0,2]=4 750 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,0,0,0,0,0|2,0,2]=4 751 B12R1.8 O=CCSCCc1ccncc1 62a_100000723409_200015260668 [0,0,0,0,0,0|2,0,2]=4 752 B12R1.8 O=CCSCCc1ccncc1 62a_200015260668_100000723409 [0,0,0,0,0,0|2,0,2]=4 753 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,0,0,0,0,0|2,0,2]=4 754 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,0,0,0,0,0|2,0,2]=4 755 B12R1.8 OCC#CCNc1ccccc1 34a_100000106764_200000047223 [0,0,0,0,0,0|1,0,2]=3 756 B12R1.8 OCC#CCOc1ccccc1 34a_100000210340_200000047223 [0,0,0,0,0,0|1,0,2]=3 757 B12R1.8 OCC#CCOc1ccccc1 7a_100000210340_200000047223 [0,0,0,0,0,0|1,0,2]=3 758 B12R1.8 OCC#CCOc1cccnc1 34a_100000210849_200000047223 [0,0,0,0,0,0|2,0,2]=4 759 B12R1.8 OCC#CCOc1cccnc1 7a_100000210849_200000047223 [0,0,0,0,0,0|2,0,2]=4 760 B12R1.8 OCC#CCOc1ccncc1 34a_100000212176_200000047223 [0,0,0,0,0,0|2,0,2]=4 761 B12R1.8 OCC#CCSc1ccccc1 62a_100000719477_200000047223 [0,0,0,0,0,0|1,0,2]=3 762 B12R1.8 OCC#CCSc1ccccc1 62a_200000047223_100000041952 [0,0,0,0,0,0|1,0,2]=3 763 B12R1.8 OCC#CCSc1ccccn1 62a_100011216584_200000047223 [0,0,0,0,0,0|2,0,2]=4 764 B12R1.8 OCC#CCSc1ccccn1 62a_200000047223_100011216584 [0,0,0,0,0,0|2,0,2]=4 765 B12R1.8 OCC#CCSc1cccnc1 62a_100000210063_200000047223 [0,0,0,0,0,0|2,0,2]=4 766 B12R1.8 OCC#CCSc1cccnc1 62a_200000047223_100000210063 [0,0,0,0,0,0|2,0,2]=4 767 B12R1.8 OCC#CCSc1ccncc1 62a_100000728582_200000047223 [0,0,0,0,0,0|2,0,2]=4 768 B12R1.8 OCC#CCSc1ccncc1 62a_200000047223_100000728582 [0,0,0,0,0,0|2,0,2]=4 769 B12R1.8 OCCCCCN1CC=CCC1 2230a_100000698166_100000746330 [0,0,0,0,0,0|1,0,3]=4 770 B12R1.8 OCCCCCN1CC=CCC1 269982a_100000698166_100000746330 [0,0,0,0,0,0|1,0,3]=4 771 B12R1.8 OCCCCCN1CC=CCC1 34a_100000698166_100000746330 [0,0,0,0,0,0|1,0,3]=4 772 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,0,0,0,0,0|1,0,0]=1 773 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,0,0,0,0,0|3,0,0]=3 774 B12R1.8 OCCCCNc1ccncn1 27a_100000750430_100000703185 [0,0,0,0,0,0|3,0,0]=3 775 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,0,0,0,0,0|3,0,0]=3 776 B12R1.8 OCCCCNc1ncccn1 27a_100000750430_100000211032 [0,0,0,0,0,0|3,0,0]=3 777 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,0,0,0,0,0|1,0,0]=1 778 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,0,0,0,0,0|1,0,0]=1 779 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,0,0,0,0,0|2,0,0]=2 780 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,0,0,0,0,0|2,0,0]=2 781 B12R1.8 OCCCCOc1ccncc1 34a_100000212176_100011216708 [0,0,0,0,0,0|2,0,0]=2 782 B12R1.8 OCCCCOc1ccnnc1 34a_100015204005_100011216708 [0,0,0,0,0,0|3,0,0]=3 783 B12R1.8 OCCCCOc1cncnc1 7a_100000754086_100000210776 [0,0,0,0,0,0|3,0,0]=3 784 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,0,0,0,0,0|1,0,0]=1 785 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,0,0,0,0,0|1,0,0]=1 786 B12R1.8 OCCCCSc1ccccn1 62a_100000210776_100011216584 [0,0,0,0,0,0|2,0,0]=2 787 B12R1.8 OCCCCSc1ccccn1 62a_100011216584_100000210776 [0,0,0,0,0,0|2,0,0]=2 788 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,0,0,0,0,0|2,0,0]=2 789 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,0,0,0,0,0|2,0,0]=2 790 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,0,0,0,0,0|3,0,0]=3 791 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,0,0,0,0,0|3,0,0]=3 792 B12R1.8 OCCCCSc1ccncc1 62a_100000210776_100000728582 [0,0,0,0,0,0|2,0,0]=2 793 B12R1.8 OCCCCSc1ccncc1 62a_100000728582_100000210776 [0,0,0,0,0,0|2,0,0]=2 794 B12R1.8 OCCCCSc1ccncn1 62a_100000210776_100000703185 [0,0,0,0,0,0|3,0,0]=3 795 B12R1.8 OCCCCSc1ccncn1 62a_100000703185_100000210776 [0,0,0,0,0,0|3,0,0]=3 796 B12R1.8 OCCCCSc1ccnnc1 62a_100000210776_100000732662 [0,0,0,0,0,0|3,0,0]=3 797 B12R1.8 OCCCCSc1ccnnc1 62a_100000732662_100000210776 [0,0,0,0,0,0|3,0,0]=3 798 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,0,0,0,0,0|3,0,0]=3 799 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,0,0,0,0,0|3,0,0]=3 800 B12R1.8 OCCCCSc1cncnc1 62a_100000210776_100011206942 [0,0,0,0,0,0|3,0,0]=3 801 B12R1.8 OCCCCSc1cncnc1 62a_100011206942_100000210776 [0,0,0,0,0,0|3,0,0]=3 802 B12R1.8 OCCCCSc1cnnnc1 62a_100000210776_100009846058 [0,0,0,0,0,0|4,0,0]=4 803 B12R1.8 OCCCCSc1cnnnc1 62a_100009846058_100000210776 [0,0,0,0,0,0|4,0,0]=4 804 B12R1.8 OCCCCSc1ncccn1 62a_100000210776_100000211032 [0,0,0,0,0,0|3,0,0]=3 805 B12R1.8 OCCCCSc1ncccn1 62a_100000211032_100000210776 [0,0,0,0,0,0|3,0,0]=3 806 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,0,0,0,0,0|1,0,0]=1 807 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,0,0,0,0,0|1,0,0]=1 808 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,0,0,0,0,0|1,0,0]=1 809 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,0,0,0,0,0|1,0,0]=1 810 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,0,0,0,0,0|2,0,0]=2 811 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,0,0,0,0,0|2,0,0]=2 812 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,0,0,0,0,0|2,0,0]=2 813 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,0,0,0,0,0|2,0,0]=2 814 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,0,0,0,0,0|3,0,0]=3 815 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,0,0,0,0,0|2,0,0]=2 816 B12R1.8 OCCCNCc1ccnnc1 270004a_100000182051_100011934578 [0,0,0,0,0,0|3,0,0]=3 817 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,0,0,0,0,0|3,0,0]=3 818 B12R1.8 OCCCNCc1cncnc1 2230a_100011243677_100000230001 [0,0,0,0,0,0|3,0,0]=3 819 B12R1.8 OCCCNCc1cncnc1 270004a_100000182051_100000749868 [0,0,0,0,0,0|3,0,0]=3 820 B12R1.8 OCCCNCc1ncccn1 270004a_100000182051_100011532527 [0,0,0,0,0,0|3,0,0]=3 821 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,0,0,0,0,0|1,0,0]=1 822 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,0,0,0,0,0|1,0,0]=1 823 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,0,0,0,0,0|1,0,0]=1 824 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,0,0,0,0,0|1,0,0]=1 825 B12R1.8 OCCCSCc1ccccn1 62a_100000721315_100011215043 [0,0,0,0,0,0|2,0,0]=2 826 B12R1.8 OCCCSCc1ccccn1 62a_100011215043_100000721315 [0,0,0,0,0,0|2,0,0]=2 827 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,0,0,0,0,0|2,0,0]=2 828 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,0,0,0,0,0|2,0,0]=2 829 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,0,0,0,0,0|3,0,0]=3 830 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,0,0,0,0,0|3,0,0]=3 831 B12R1.8 OCCCSCc1ccncc1 62a_100011215043_100015193705 [0,0,0,0,0,0|2,0,0]=2 832 B12R1.8 OCCCSCc1ccncc1 62a_100015193705_100011215043 [0,0,0,0,0,0|2,0,0]=2 833 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,0,0,0,0,0|3,0,0]=3 834 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,0,0,0,0,0|3,0,0]=3 835 B12R1.8 OCCCSCc1cncnc1 62a_100011215043_100015196519 [0,0,0,0,0,0|3,0,0]=3 836 B12R1.8 OCCCSCc1cncnc1 62a_100015196519_100011215043 [0,0,0,0,0,0|3,0,0]=3 837 B12R1.8 OCCCSCc1ncccn1 62a_100000703007_100011215043 [0,0,0,0,0,0|3,0,0]=3 838 B12R1.8 OCCCSCc1ncccn1 62a_100011215043_100000703007 [0,0,0,0,0,0|3,0,0]=3 839 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,0,0,0,0,0|1,0,0]=1 840 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,0,0,0,0,0|1,0,0]=1 841 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,0,0,0,0,0|1,0,0]=1 842 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,0,0,0,0,0|1,0,0]=1 843 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,0,0,0,0,0|2,0,0]=2 844 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,0,0,0,0,0|2,0,0]=2 845 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,0,0,0,0,0|2,0,0]=2 846 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,0,0,0,0,0|2,0,0]=2 847 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,0,0,0,0,0|2,0,0]=2 848 B12R1.8 OCCNN=Cc1ccccc1 4a_100000210001_100015611070 [0,0,0,0,0,0|2,0,1]=3 849 B12R1.8 OCCNN=Cc1ccccn1 4a_100000210001_100000209966 [0,0,0,0,0,0|3,0,1]=4 850 B12R1.8 OCCNN=Cc1cccnc1 4a_100000210001_100000209961 [0,0,0,0,0,0|3,0,1]=4 851 B12R1.8 OCCNN=Cc1ccncc1 4a_100000210001_100000186114 [0,0,0,0,0,0|3,0,1]=4 852 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,0,0,0,0,0|1,0,0]=1 853 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,0,0,0,0,0|1,0,0]=1 854 B12R1.8 OCCOCCc1ccccn1 34a_100000210271_100000211926 [0,0,0,0,0,0|2,0,0]=2 855 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,0,0,0,0,0|2,0,0]=2 856 B12R1.8 OCCOCCc1ccncc1 34a_100011216225_100000211926 [0,0,0,0,0,0|2,0,0]=2 857 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,0,0,0,0,0|3,0,0]=3 858 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,0,0,0,0,0|3,0,0]=3 859 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,0,0,0,0,0|1,0,0]=1 860 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,0,0,0,0,0|1,0,0]=1 861 B12R1.8 OCCSCCc1ccccn1 62a_100000211926_100015183660 [0,0,0,0,0,0|2,0,0]=2 862 B12R1.8 OCCSCCc1ccccn1 62a_100015183660_100000211926 [0,0,0,0,0,0|2,0,0]=2 863 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,0,0,0,0,0|2,0,0]=2 864 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,0,0,0,0,0|2,0,0]=2 865 B12R1.8 OCCSCCc1ccncc1 62a_100000211926_100000723409 [0,0,0,0,0,0|2,0,0]=2 866 B12R1.8 OCCSCCc1ccncc1 62a_100000723409_100000211926 [0,0,0,0,0,0|2,0,0]=2 867 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,0,0,0,0,0|2,0,0]=2 868 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,0,0,0,0,0|2,0,0]=2 869 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,0,0,0,0,0|2,0,0]=2 870 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,0,0,0,0,0|2,0,0]=2 871 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,0,0,0,0,0|3,0,0]=3 872 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,0,0,0,0,0|3,0,0]=3 873 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,0,0,0,0,0|3,0,0]=3 874 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,0,0,0,0,0|3,0,0]=3 875 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,0,0,0,0,0|3,0,0]=3 876 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,0,0,0,0,0|3,0,0]=3 877 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,0,0,0,0,0|3,0,0]=3 878 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,0,0,0,0,0|3,0,0]=3 879 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,0,0,0,0,0|2,0,2]=4 880 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,0,0,0,0,0|2,0,2]=4 881 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,0,0,0,0,0|2,0,0]=2 882 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,0,0,0,0,0|2,0,0]=2 883 B12R1.8 [13CH3]OCCCCc1ccccn1 34a_100012186994_200025704644 [0,0,0,0,0,0|3,0,0]=3 884 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,0,0,0,0,0|3,0,0]=3 885 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,0,0,0,0,0|3,0,0]=3 886 B12R1.8 [13CH3]OCCCCc1ccncc1 34a_100011787716_200025704644 [0,0,0,0,0,0|3,0,0]=3 887 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,0,0,0,0,0|3,0,0]=3 888 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,0,0,0,0,0|3,0,0]=3 889 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,0,0,0,0,0|3,0,0]=3 890 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,0,0,0,0,0|3,0,0]=3 891 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,0,0,0,0,0|3,0,0]=3 892 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,0,0,0,0,0|3,0,0]=3 893 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,0,0,0,0,0|3,0,0]=3 894 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,0,0,0,0,0|3,0,0]=3 895 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,0,0,0,0,0|2,0,0]=2 896 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,0,0,0,0,0|2,0,0]=2 897 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_100020630000_200025704644 [0,0,0,0,0,0|3,0,0]=3 898 B12R1.8 [13CH3]SCCCCc1ccncc1 62a_200025704644_100020630000 [0,0,0,0,0,0|3,0,0]=3 899 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,0,0,0,0,0|3,0,0]=3 900 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,0,0,0,0,0|3,0,0]=3 901 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,0,0,0,0,0|3,0,0]=3 902 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,0,0,0,0,0|3,0,0]=3 903 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,0,0,0,0,0|3,0,0]=3 904 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,0,0,0,0,0|3,0,0]=3 905 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,0,0,0,0,0|3,0,0]=3 906 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,0,0,0,0,0|3,0,0]=3 907 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,0,0,0,0,0|2,0,0]=3 908 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,0,0,0,0,0|3,0,0]=4 909 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,0,0,0,0,0|3,0,0]=4 910 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,0,0,0,0,0|1,0,2]=4 911 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,0,0,0,0,0|1,0,2]=4 912 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,0,0,0,0,0|1,0,2]=4 913 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,0,0,0,0,0|1,0,2]=4 914 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,0,0,0,0,0|1,0,2]=4 915 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,0,0,0,0,0|1,0,2]=4 916 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,0,0,0,0,0|1,0,2]=4 917 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,0,0,0,0,0|1,0,2]=4 918 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,0,0,0,0,0|1,0,2]=4 919 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,0,0,0,0,0|1,0,2]=4 920 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,0,0,0,0,0|1,0,2]=4 921 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,0,0,0,0,0|1,0,2]=4 922 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|1,0,2]=4 923 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|1,0,2]=4 924 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|1,0,2]=4 925 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|1,0,2]=4 926 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|1,0,2]=4 927 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,0,0,0,0,0|1,0,2]=4 928 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,0,0,0,0,0|1,0,2]=4 929 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,0,0,0,0,0|1,0,2]=4 930 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,0,0,0,0,0|1,0,2]=4 931 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,0,0,0,0,0|1,0,2]=4 932 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,0,0,0,0,0|1,0,2]=4 933 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,0,0,0,0,0|1,0,2]=4 934 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,0,0,0,0,0|1,0,2]=4 935 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,0,0,0,0,0|1,0,2]=4 936 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|1,0,2]=4 937 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|1,0,2]=4 938 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|1,0,2]=4 939 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,0|1,0,2]=4 940 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,0|1,0,2]=4 941 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [1,0,0,0,0,0|1,0,2]=4 942 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,0,0,0,0,0|1,0,2]=4 943 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,0,0,0,0,0|1,0,2]=4 944 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [1,0,0,0,0,0|1,0,2]=4 945 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [1,0,0,0,0,0|1,0,2]=4 946 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|1,0,2]=4 947 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|1,0,2]=4 948 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|1,0,2]=4 949 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|1,0,2]=4 950 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|1,0,2]=4 951 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,0,0,0,0,0|2,0,1]=4 952 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,0,0,0,0,0|2,0,1]=4 953 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,0,0,0,0|0,0,2]=3 954 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,0,0,0,0,0|1,0,2]=4 955 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,0,0,0,0|1,0,2]=4 956 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,0,0,0,0,0|1,0,2]=4 957 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,0,0,0,0,0|1,0,0]=2 958 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [1,0,0,0,0,0|3,0,0]=4 959 B11R1.28 CCCCNc1ccncn1 27a_100000102301_100000703185 [1,0,0,0,0,0|3,0,0]=4 960 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [1,0,0,0,0,0|3,0,0]=4 961 B11R1.28 CCCCNc1ncccn1 27a_100000102301_100000211032 [1,0,0,0,0,0|3,0,0]=4 962 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,0,0,0,0,0|1,0,0]=2 963 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,0,0,0,0,0|1,0,0]=2 964 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,0,0,0,0,0|2,0,0]=3 965 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,0,0,0,0,0|2,0,0]=3 966 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,0,0,0,0,0|2,0,0]=3 967 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [1,0,0,0,0,0|3,0,0]=4 968 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [1,0,0,0,0,0|3,0,0]=4 969 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,0,0,0,0,0|1,0,0]=2 970 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,0,0,0,0,0|1,0,0]=2 971 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,0,0,0,0,0|2,0,0]=3 972 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,0,0,0,0,0|2,0,0]=3 973 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,0,0,0,0,0|2,0,0]=3 974 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,0,0,0,0,0|2,0,0]=3 975 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [1,0,0,0,0,0|3,0,0]=4 976 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [1,0,0,0,0,0|3,0,0]=4 977 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,0,0,0,0,0|2,0,0]=3 978 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,0,0,0,0,0|2,0,0]=3 979 B11R1.28 CCCCSc1ccncn1 62a_100000210211_100000703185 [1,0,0,0,0,0|3,0,0]=4 980 B11R1.28 CCCCSc1ccncn1 62a_100000703185_100000210210 [1,0,0,0,0,0|3,0,0]=4 981 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [1,0,0,0,0,0|3,0,0]=4 982 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [1,0,0,0,0,0|3,0,0]=4 983 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [1,0,0,0,0,0|3,0,0]=4 984 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [1,0,0,0,0,0|3,0,0]=4 985 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [1,0,0,0,0,0|3,0,0]=4 986 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [1,0,0,0,0,0|3,0,0]=4 987 B11R1.28 CCCCSc1ncccn1 62a_100000210211_100000211032 [1,0,0,0,0,0|3,0,0]=4 988 B11R1.28 CCCCSc1ncccn1 62a_100000211032_100000210210 [1,0,0,0,0,0|3,0,0]=4 989 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,0,0,0,0,0|1,0,0]=2 990 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,0,0,0,0,0|1,0,0]=2 991 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,0,0,0,0,0|1,0,0]=2 992 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,0,0,0,0,0|1,0,0]=2 993 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,0,0,0,0,0|2,0,0]=3 994 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,0,0,0,0,0|2,0,0]=3 995 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,0,0,0,0,0|2,0,0]=3 996 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,0,0,0,0,0|2,0,0]=3 997 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [1,0,0,0,0,0|3,0,0]=4 998 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,0,0,0,0,0|2,0,0]=3 999 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [1,0,0,0,0,0|3,0,0]=4 1000 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [1,0,0,0,0,0|3,0,0]=4 1001 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [1,0,0,0,0,0|3,0,0]=4 1002 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [1,0,0,0,0,0|3,0,0]=4 1003 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [1,0,0,0,0,0|3,0,0]=4 1004 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,0,0,0,0,0|1,0,0]=2 1005 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,0,0,0,0,0|1,0,0]=2 1006 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,0,0,0,0,0|1,0,0]=2 1007 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,0,0,0,0,0|2,0,0]=3 1008 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,0,0,0,0,0|2,0,0]=3 1009 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [1,0,0,0,0,0|3,0,0]=4 1010 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [1,0,0,0,0,0|3,0,0]=4 1011 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [1,0,0,0,0,0|3,0,0]=4 1012 B11R1.28 CCCOCc1ncccn1 34a_100000210258_100000703007 [1,0,0,0,0,0|3,0,0]=4 1013 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,0,0,0,0,0|1,0,0]=2 1014 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,0,0,0,0,0|1,0,0]=2 1015 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,0,0,0,0,0|2,0,0]=3 1016 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,0,0,0,0,0|2,0,0]=3 1017 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,0,0,0,0,0|2,0,0]=3 1018 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,0,0,0,0,0|2,0,0]=3 1019 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [1,0,0,0,0,0|3,0,0]=4 1020 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [1,0,0,0,0,0|3,0,0]=4 1021 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,0,0,0,0,0|2,0,0]=3 1022 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,0,0,0,0,0|2,0,0]=3 1023 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [1,0,0,0,0,0|3,0,0]=4 1024 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [1,0,0,0,0,0|3,0,0]=4 1025 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [1,0,0,0,0,0|3,0,0]=4 1026 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [1,0,0,0,0,0|3,0,0]=4 1027 B11R1.28 CCCSCc1ncccn1 62a_100000210303_100000703007 [1,0,0,0,0,0|3,0,0]=4 1028 B11R1.28 CCCSCc1ncccn1 62a_100000703007_100000210303 [1,0,0,0,0,0|3,0,0]=4 1029 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,0,0,0,0,0|1,0,0]=2 1030 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,0,0,0,0,0|1,0,0]=2 1031 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,0,0,0,0,0|1,0,0]=2 1032 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,0,0,0,0,0|2,0,0]=3 1033 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,0,0,0,0,0|2,0,0]=3 1034 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,0,0,0,0,0|2,0,0]=3 1035 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,0,0,0,0,0|2,0,0]=3 1036 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,0,0,0,0,0|2,0,0]=3 1037 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,0,0,0,0,0|2,0,1]=4 1038 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,0,0,0,0,0|1,0,2]=4 1039 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1040 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,0,0,0|1,0,0]=2 1041 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1042 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,0,0,0,0,0|2,0,0]=3 1043 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,0,0,0,0,0|2,0,0]=3 1044 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,0,0,0,0,0|2,0,0]=3 1045 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [1,0,0,0,0,0|3,0,0]=4 1046 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [1,0,0,0,0,0|3,0,0]=4 1047 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,0,0,0,0,0|2,0,0]=3 1048 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,0,0,0,0,0|2,0,0]=3 1049 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [1,0,0,0,0,0|3,0,0]=4 1050 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [1,0,0,0,0,0|3,0,0]=4 1051 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [1,0,0,0,0,0|3,0,0]=4 1052 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [1,0,0,0,0,0|3,0,0]=4 1053 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [1,0,0,0,0,0|3,0,0]=4 1054 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [1,0,0,0,0,0|3,0,0]=4 1055 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,0,0,0,0,0|1,0,0]=2 1056 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,0,0,0,0,0|1,0,0]=2 1057 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,0,0,0,0,0|2,0,0]=3 1058 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,0,0,0,0,0|2,0,0]=3 1059 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,0,0,0,0,0|2,0,0]=3 1060 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,0,0,0,0,0|2,0,0]=3 1061 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,0,0,0,0,0|2,0,0]=3 1062 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,0,0,0,0,0|2,0,0]=3 1063 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,0,0,0,0,0|2,0,0]=3 1064 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,0,0,0,0,0|2,0,0]=3 1065 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,0,0,0,0,0|1,0,2]=4 1066 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,0,0,0,0,0|1,0,2]=4 1067 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,0,0,0,0,0|1,0,2]=4 1068 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,0,0,0,0,0|1,0,2]=4 1069 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,0,0,0,0,0|1,0,2]=4 1070 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,0,0,0,0,0|1,0,2]=4 1071 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,0,0,0,0,0|1,0,2]=4 1072 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,0,0,0,0,0|1,0,2]=4 1073 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,0,0,0,0,0|1,0,2]=4 1074 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,0,0,0,0,0|1,0,2]=4 1075 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,0,0,0,0,0|1,0,0]=2 1076 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,0,0,0,0,0|1,0,0]=2 1077 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,0,0,0,0,0|1,0,0]=2 1078 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,0,0,0,0,0|1,0,0]=2 1079 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,0,0,0,0,0|1,0,0]=2 1080 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,0,0,0,0,0|2,0,0]=3 1081 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,0,0,0,0,0|2,0,0]=3 1082 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,0,0,0,0,0|2,0,0]=3 1083 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,0,0,0,0,0|2,0,0]=3 1084 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,0,0,0,0,0|2,0,0]=3 1085 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,0,0,0,0,0|2,0,0]=3 1086 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,0,0,0,0,0|2,0,0]=3 1087 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,0,0,0,0,0|2,0,0]=3 1088 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,0,0,0,0,0|2,0,0]=3 1089 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,0,0,0,0,0|3,0,0]=4 1090 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,0,0,0,0,0|3,0,0]=4 1091 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,0,0,0,0,0|2,0,0]=3 1092 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,0,0,0,0,0|2,0,0]=3 1093 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,0,0,0,0,0|2,0,0]=3 1094 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,0,0,0,0,0|2,0,0]=3 1095 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,0,0,0,0,0|2,0,0]=3 1096 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,0,0,0,0,0|2,0,0]=3 1097 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,0,0,0,0,0|2,0,0]=3 1098 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,0,0,0,0,0|2,0,0]=3 1099 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,0,0,0,0|1,0,2]=4 1100 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,0,0,0,0|1,0,2]=4 1101 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,0,0,0,0,0|1,0,2]=4 1102 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,0,0,0,0,0|1,0,2]=4 1103 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,0,0,0,0,0|1,0,2]=4 1104 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,0,0,0,0|1,0,2]=4 1105 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [1,0,0,0,0,0|1,0,2]=4 1106 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|1,0,0]=2 1107 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|1,0,0]=2 1108 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|1,0,0]=2 1109 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,0,0,0,0,0|2,0,0]=3 1110 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,0,0,0,0,0|2,0,0]=3 1111 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,0,0,0,0,0|2,0,0]=3 1112 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|2,0,0]=3 1113 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|2,0,0]=3 1114 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,0,0,0,0,0|3,0,0]=4 1115 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|2,0,0]=3 1116 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|2,0,0]=3 1117 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|2,0,0]=3 1118 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|2,0,0]=3 1119 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|2,0,0]=3 1120 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,0,0,0,0,0|3,0,0]=4 1121 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,0,0,0,0,0|3,0,0]=4 1122 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,0,0,0,0,0|3,0,0]=4 1123 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|2,0,0]=3 1124 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|2,0,0]=3 1125 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|2,0,0]=3 1126 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|2,0,0]=3 1127 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,0,0,0,0,0|3,0,0]=4 1128 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,0,0,0,0,0|3,0,0]=4 1129 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,0,0,0,0,0|3,0,0]=4 1130 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,0,0,0,0,0|3,0,0]=4 1131 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,0,0,0,0,0|3,0,0]=4 1132 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,0,0,0,0,0|3,0,0]=4 1133 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,0,0,0,0,0|3,0,0]=4 1134 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,0,0,0,0|2,0,0]=3 1135 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,0,0,0,0|2,0,0]=3 1136 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,0|2,0,0]=3 1137 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,0|2,0,0]=3 1138 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,0|2,0,0]=3 1139 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,0,0,0,0,0|3,0,0]=4 1140 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,0,0,0,0,0|3,0,0]=4 1141 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,0,0,0,0,0|3,0,0]=4 1142 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,0,0,0,0,0|3,0,0]=4 1143 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,0,0,0,0,0|3,0,0]=4 1144 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,0,0,0,0,0|3,0,0]=4 1145 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,0,0,0,0,0|1,0,2]=4 1146 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,0,0,0,0,0|1,0,2]=4 1147 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,0,0,0,0,0|1,0,2]=4 1148 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,0,0,0,0,0|1,0,0]=2 1149 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,0,0,0,0,0|1,0,0]=2 1150 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,0,0,0,0,0|2,0,0]=3 1151 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,0,0,0,0,0|2,0,0]=3 1152 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,0,0,0,0,0|2,0,0]=3 1153 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,0,0,0,0,0|2,0,0]=3 1154 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,0,0,0,0,0|2,0,0]=3 1155 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,0,0,0,0,0|3,0,0]=4 1156 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,0,0,0,0,0|3,0,0]=4 1157 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,0,0,0,0,0|3,0,0]=4 1158 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,0,0,0,0,0|2,0,0]=3 1159 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,0,0,0,0,0|2,0,0]=3 1160 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,0,0,0,0,0|2,0,0]=3 1161 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,0,0,0,0,0|2,0,0]=3 1162 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [1,0,0,0,0,0|3,0,0]=4 1163 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [1,0,0,0,0,0|3,0,0]=4 1164 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,0,0,0,0,0|3,0,0]=4 1165 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,0,0,0,0,0|3,0,0]=4 1166 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [1,0,0,0,0,0|3,0,0]=4 1167 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [1,0,0,0,0,0|3,0,0]=4 1168 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,0,0,0,0,0|2,0,0]=3 1169 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,0,0,0,0,0|2,0,0]=3 1170 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,0,0,0,0,0|2,0,0]=3 1171 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,0,0,0,0,0|2,0,0]=3 1172 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,0,0,0,0,0|2,0,0]=3 1173 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,0,0,0,0,0|2,0,0]=3 1174 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,0,0,0,0,0|2,0,0]=3 1175 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,0,0,0,0,0|2,0,0]=3 1176 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,0,0,0,0,0|2,0,0]=3 1177 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [1,0,0,0,0,0|3,0,0]=4 1178 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [1,0,0,0,0,0|3,0,0]=4 1179 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,0,0,0,0,0|3,0,0]=4 1180 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,0,0,0,0,0|3,0,0]=4 1181 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [1,0,0,0,0,0|3,0,0]=4 1182 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [1,0,0,0,0,0|3,0,0]=4 1183 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,0,0,0,0,0|2,0,0]=3 1184 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,0,0,0,0,0|2,0,0]=3 1185 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,0,0,0,0,0|2,0,0]=3 1186 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,0,0,0,0,0|3,0,0]=4 1187 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,0,0,0,0,0|3,0,0]=4 1188 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [1,0,0,0,0,0|3,0,0]=4 1189 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,0,0,0,0,0|2,0,0]=3 1190 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,0,0,0,0,0|2,0,0]=3 1191 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [1,0,0,0,0,0|3,0,0]=4 1192 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [1,0,0,0,0,0|3,0,0]=4 1193 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [1,0,0,0,0,0|3,0,0]=4 1194 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [1,0,0,0,0,0|3,0,0]=4 1195 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [1,0,0,0,0,0|3,0,0]=4 1196 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [1,0,0,0,0,0|3,0,0]=4 1197 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,0,0,0,0,0|2,0,0]=3 1198 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,0,0,0,0,0|2,0,0]=3 1199 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,0,0,0,0,0|2,0,0]=3 1200 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [1,0,0,0,0,0|3,0,0]=4 1201 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [1,0,0,0,0,0|3,0,0]=4 1202 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,0,0,0,0,0|2,0,0]=3 1203 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,0,0,0,0,0|2,0,0]=3 1204 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,0,0,0,0,0|2,0,0]=3 1205 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,0,0,0,0,0|2,0,0]=3 1206 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [1,0,0,0,0,0|3,0,0]=4 1207 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [1,0,0,0,0,0|3,0,0]=4 1208 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [1,0,0,0,0,0|3,0,0]=4 1209 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [1,0,0,0,0,0|3,0,0]=4 1210 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [1,0,0,0,0,0|3,0,0]=4 1211 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [1,0,0,0,0,0|3,0,0]=4 1212 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,0,0,0,0,0|2,0,0]=3 1213 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1214 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1215 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,0,0,0,0,0|3,0,0]=4 1216 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,0,0,0,0,0|3,0,0]=4 1217 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,0,0,0,0,0|3,0,0]=4 1218 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,0,0,0,0,0|2,0,0]=3 1219 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,0,0,0,0,0|2,0,0]=3 1220 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,0,0,0,0,0|3,0,0]=4 1221 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,0,0,0,0,0|3,0,0]=4 1222 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,0,0,0,0,0|3,0,0]=4 1223 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,0,0,0,0,0|3,0,0]=4 1224 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,0,0,0,0,0|3,0,0]=4 1225 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,0,0,0,0,0|3,0,0]=4 1226 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,0,0,0,0,0|3,0,0]=4 1227 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,0,0,0,0,0|3,0,0]=4 1228 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,0,0,0,0,0|2,0,1]=4 1229 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,0,0,0,0,0|2,0,1]=4 1230 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,0,0,0,0,0|2,0,1]=4 1231 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,0,0,0,0,0|2,0,1]=4 1232 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,0,0,0,0,0|2,0,1]=4 1233 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,0,0,0,0,0|2,0,1]=4 1234 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,0,0,0,0,0|2,0,1]=4 1235 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,0,0,0,0,0|2,0,0]=3 1236 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,0,0,0,0,0|3,0,0]=4 1237 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,0,0,0,0,0|3,0,0]=4 1238 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,0|1,0,2]=4 1239 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,0|1,0,2]=4 1240 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|1,0,2]=4 1241 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|1,0,2]=4 1242 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,0|1,0,2]=4 1243 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,0|1,0,2]=4 1244 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,0,0,0,0,0|1,0,0]=2 1245 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [1,0,0,0,0,0|3,0,0]=4 1246 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [1,0,0,0,0,0|3,0,0]=4 1247 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [1,0,0,0,0,0|3,0,0]=4 1248 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [1,0,0,0,0,0|3,0,0]=4 1249 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,0,0,0,0,0|1,0,0]=2 1250 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,0,0,0,0,0|1,0,0]=2 1251 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,0,0,0,0,0|2,0,0]=3 1252 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,0,0,0,0,0|2,0,0]=3 1253 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,0,0,0,0,0|2,0,0]=3 1254 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [1,0,0,0,0,0|3,0,0]=4 1255 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [1,0,0,0,0,0|3,0,0]=4 1256 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,0,0,0,0,0|1,0,0]=2 1257 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,0,0,0,0,0|1,0,0]=2 1258 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,0,0,0,0,0|2,0,0]=3 1259 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,0,0,0,0,0|2,0,0]=3 1260 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,0,0,0,0,0|2,0,0]=3 1261 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,0,0,0,0,0|2,0,0]=3 1262 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [1,0,0,0,0,0|3,0,0]=4 1263 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [1,0,0,0,0,0|3,0,0]=4 1264 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,0,0,0,0,0|2,0,0]=3 1265 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,0,0,0,0,0|2,0,0]=3 1266 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [1,0,0,0,0,0|3,0,0]=4 1267 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [1,0,0,0,0,0|3,0,0]=4 1268 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [1,0,0,0,0,0|3,0,0]=4 1269 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [1,0,0,0,0,0|3,0,0]=4 1270 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [1,0,0,0,0,0|3,0,0]=4 1271 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [1,0,0,0,0,0|3,0,0]=4 1272 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [1,0,0,0,0,0|3,0,0]=4 1273 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [1,0,0,0,0,0|3,0,0]=4 1274 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [1,0,0,0,0,0|3,0,0]=4 1275 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [1,0,0,0,0,0|3,0,0]=4 1276 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,0,0,0,0,0|1,0,0]=2 1277 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,0,0,0,0,0|1,0,0]=2 1278 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,0,0,0,0,0|1,0,0]=2 1279 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,0,0,0,0,0|1,0,0]=2 1280 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,0,0,0,0,0|1,0,0]=2 1281 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,0,0,0,0,0|1,0,0]=2 1282 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,0,0,0,0,0|2,0,0]=3 1283 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,0,0,0,0,0|2,0,0]=3 1284 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,0,0,0,0,0|2,0,0]=3 1285 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,0,0,0,0,0|2,0,0]=3 1286 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,0,0,0,0,0|2,0,0]=3 1287 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,0,0,0,0,0|2,0,0]=3 1288 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,0,0,0,0,0|2,0,0]=3 1289 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,0,0,0,0,0|2,0,0]=3 1290 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [1,0,0,0,0,0|3,0,0]=4 1291 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [1,0,0,0,0,0|3,0,0]=4 1292 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [1,0,0,0,0,0|3,0,0]=4 1293 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,0,0,0,0,0|2,0,0]=3 1294 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,0,0,0,0,0|2,0,0]=3 1295 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [1,0,0,0,0,0|3,0,0]=4 1296 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [1,0,0,0,0,0|3,0,0]=4 1297 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [1,0,0,0,0,0|3,0,0]=4 1298 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [1,0,0,0,0,0|3,0,0]=4 1299 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [1,0,0,0,0,0|3,0,0]=4 1300 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [1,0,0,0,0,0|3,0,0]=4 1301 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [1,0,0,0,0,0|3,0,0]=4 1302 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [1,0,0,0,0,0|3,0,0]=4 1303 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [1,0,0,0,0,0|3,0,0]=4 1304 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [1,0,0,0,0,0|3,0,0]=4 1305 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [1,0,0,0,0,0|3,0,0]=4 1306 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,0,0,0,0,0|1,0,0]=2 1307 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,0,0,0,0,0|1,0,0]=2 1308 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,0,0,0,0,0|1,0,0]=2 1309 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,0,0,0,0,0|1,0,0]=2 1310 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,0,0,0,0,0|2,0,0]=3 1311 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,0,0,0,0,0|2,0,0]=3 1312 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,0,0,0,0,0|2,0,0]=3 1313 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,0,0,0,0,0|2,0,0]=3 1314 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [1,0,0,0,0,0|3,0,0]=4 1315 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [1,0,0,0,0,0|3,0,0]=4 1316 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,0,0,0,0,0|2,0,0]=3 1317 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,0,0,0,0,0|2,0,0]=3 1318 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [1,0,0,0,0,0|3,0,0]=4 1319 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [1,0,0,0,0,0|3,0,0]=4 1320 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [1,0,0,0,0,0|3,0,0]=4 1321 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [1,0,0,0,0,0|3,0,0]=4 1322 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [1,0,0,0,0,0|3,0,0]=4 1323 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [1,0,0,0,0,0|3,0,0]=4 1324 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,0,0,0,0,0|1,0,2]=4 1325 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,0,0,0,0,0|1,0,2]=4 1326 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,0,0,0,0,0|1,0,2]=4 1327 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,0,0,0,0,0|1,0,0]=2 1328 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,0,0,0,0,0|1,0,0]=2 1329 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,0,0,0,0,0|2,0,0]=3 1330 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,0,0,0,0,0|2,0,0]=3 1331 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,0,0,0,0,0|2,0,0]=3 1332 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,0,0,0,0,0|2,0,0]=3 1333 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,0,0,0,0,0|2,0,0]=3 1334 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,0,0,0,0,0|3,0,0]=4 1335 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,0,0,0,0,0|3,0,0]=4 1336 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,0,0,0,0,0|2,0,0]=3 1337 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,0,0,0,0|1,0,2]=4 1338 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,0,0,0,0,0|1,0,2]=4 1339 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,0,0,0,0,0|1,0,2]=4 1340 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [1,0,0,0,0,0|1,0,2]=4 1341 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|1,0,0]=2 1342 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|1,0,0]=2 1343 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,0,0,0,0,0|2,0,0]=3 1344 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,0,0,0,0,0|2,0,0]=3 1345 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,0,0,0,0,0|2,0,0]=3 1346 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|2,0,0]=3 1347 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,0,0,0,0,0|3,0,0]=4 1348 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|2,0,0]=3 1349 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|2,0,0]=3 1350 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|2,0,0]=3 1351 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,0,0,0,0,0|3,0,0]=4 1352 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,0,0,0,0,0|1,0,2]=4 1353 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,0,0,0,0,0|1,0,2]=4 1354 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,0,0,0,0,0|1,0,2]=4 1355 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,0,0,0,0,0|1,0,0]=2 1356 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,0,0,0,0,0|1,0,0]=2 1357 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,0,0,0,0,0|2,0,0]=3 1358 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,0,0,0,0,0|2,0,0]=3 1359 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,0,0,0,0,0|2,0,0]=3 1360 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,0,0,0,0,0|2,0,0]=3 1361 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,0,0,0,0,0|2,0,0]=3 1362 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,0,0,0,0,0|2,0,0]=3 1363 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,0,0,0,0,0|2,0,0]=3 1364 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,0,0,0,0,0|2,0,0]=3 1365 B13R1.6 BrCCCOCc1cc(ccn1)Br 34a_100011217188_100010173614 [0,1,0,0,0,0|3,0,0]=4 1366 B13R1.6 BrCCCOCc1cccc(c1)Br 34a_100011217188_100000698116 [0,1,0,0,0,0|2,0,0]=3 1367 B13R1.6 BrCCCOCc1cccc(c1)I 34a_100011217188_100011218688 [0,1,0,0,0,0|2,0,0]=3 1368 B13R1.6 BrCCCOCc1cccc(n1)Br 34a_100011217188_100009889011 [0,1,0,0,0,0|3,0,0]=4 1369 B13R1.6 BrCCCOCc1ccnc(c1)Br 34a_100011217188_100010243470 [0,1,0,0,0,0|3,0,0]=4 1370 B13R1.6 BrCCCOCc1cncc(c1)Br 34a_100011217188_100000738771 [0,1,0,0,0,0|3,0,0]=4 1371 B13R1.6 BrCCOCCc1cccc(c1)Br 34a_100000211926_100011740638 [0,1,0,0,0,0|2,0,0]=3 1372 B13R1.6 C#CCCCNc1cccc(c1)Br 34a_100000210019_100000695029 [0,1,0,0,0,0|2,0,1]=4 1373 B13R1.6 C#CCCCNc1cccc(c1)C 2230a_100000188690_100000731252 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.6 C#CCCCNc1cccc(c1)C 34a_100000188690_100000695029 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.6 C#CCCCNc1cccc(c1)Cl 34a_100000185859_100000695029 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.6 C#CCCCNc1cccc(c1)F 34a_100000210047_100000695029 [0,1,0,0,0,0|2,0,1]=4 1377 B13R1.6 C#CCCCNc1cccc(c1)I 34a_100000211102_100000695029 [0,1,0,0,0,0|2,0,1]=4 1378 B13R1.6 C#CCCCNc1cccc(c1)O 34a_100000210217_100000695029 [0,1,0,0,0,0|2,0,1]=4 1379 B13R1.6 C#CCCCOc1cccc(c1)Br 34a_100000210342_100000695029 [0,1,0,0,0,0|2,0,1]=4 1380 B13R1.6 C#CCCCOc1cccc(c1)Br 7a_100000210342_100011215417 [0,1,0,0,0,0|2,0,1]=4 1381 B13R1.6 C#CCCCOc1cccc(c1)C 34a_100000210337_100000695029 [0,1,0,0,0,0|2,0,1]=4 1382 B13R1.6 C#CCCCOc1cccc(c1)C 7a_100000210337_100011215417 [0,1,0,0,0,0|2,0,1]=4 1383 B13R1.6 C#CCCCOc1cccc(c1)Cl 34a_100000210295_100000695029 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.6 C#CCCCOc1cccc(c1)Cl 7a_100000210295_100011215417 [0,1,0,0,0,0|2,0,1]=4 1385 B13R1.6 C#CCCCOc1cccc(c1)F 34a_100000210426_100000695029 [0,1,0,0,0,0|2,0,1]=4 1386 B13R1.6 C#CCCCOc1cccc(c1)F 7a_100000210426_100011215417 [0,1,0,0,0,0|2,0,1]=4 1387 B13R1.6 C#CCCCOc1cccc(c1)I 34a_100000211634_100000695029 [0,1,0,0,0,0|2,0,1]=4 1388 B13R1.6 C#CCCCOc1cccc(c1)I 7a_100000211634_100011215417 [0,1,0,0,0,0|2,0,1]=4 1389 B13R1.6 C#CCCCOc1cccc(c1)N 34a_100000210217_100000695029 [0,1,0,0,0,0|2,0,1]=4 1390 B13R1.6 C#CCCCSc1cccc(c1)Br 62a_100000691529_100011215417 [0,1,0,0,0,0|2,0,1]=4 1391 B13R1.6 C#CCCCSc1cccc(c1)Br 62a_100011215417_100000691529 [0,1,0,0,0,0|2,0,1]=4 1392 B13R1.6 C#CCCCSc1cccc(c1)C 62a_100011215228_100011215417 [0,1,0,0,0,0|2,0,1]=4 1393 B13R1.6 C#CCCCSc1cccc(c1)C 62a_100011215417_100011215228 [0,1,0,0,0,0|2,0,1]=4 1394 B13R1.6 C#CCCCSc1cccc(c1)Cl 62a_100000699651_100011215417 [0,1,0,0,0,0|2,0,1]=4 1395 B13R1.6 C#CCCCSc1cccc(c1)Cl 62a_100011215417_100000699651 [0,1,0,0,0,0|2,0,1]=4 1396 B13R1.6 C#CCCCSc1cccc(c1)F 62a_100000685547_100011215417 [0,1,0,0,0,0|2,0,1]=4 1397 B13R1.6 C#CCCCSc1cccc(c1)F 62a_100011215417_100000685547 [0,1,0,0,0,0|2,0,1]=4 1398 B13R1.6 C#CCCCSc1cccc(c1)N 62a_100000210019_100011215417 [0,1,0,0,0,0|2,0,1]=4 1399 B13R1.6 C#CCCCSc1cccc(c1)N 62a_100011215417_100000210019 [0,1,0,0,0,0|2,0,1]=4 1400 B13R1.6 C#CCCCSc1cccc(c1)O 62a_100011215417_100000211634 [0,1,0,0,0,0|2,0,1]=4 1401 B13R1.6 C#CCCCSc1cccc(c1)[S] 62a_100011215417_114929384022 [0,1,0,0,0,0|2,0,1]=4 1402 B13R1.6 C#CCCCSc1cccc(c1)[S] 62a_114929384022_100011215417 [0,1,0,0,0,0|2,0,1]=4 1403 B13R1.6 C#CCCNCc1cccc(c1)Br 2230a_100000174977_100000688953 [0,1,0,0,0,0|2,0,1]=4 1404 B13R1.6 C#CCCNCc1cccc(c1)Br 34a_100000174977_100000688953 [0,1,0,0,0,0|2,0,1]=4 1405 B13R1.6 C#CCCNCc1cccc(c1)Br 34a_100000755551_100000698116 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.6 C#CCCNCc1cccc(c1)C 2230a_100000185548_100000688953 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.6 C#CCCNCc1cccc(c1)C 34a_100000185548_100000688953 [0,1,0,0,0,0|2,0,1]=4 1408 B13R1.6 C#CCCNCc1cccc(c1)C 34a_100000755551_100000211840 [0,1,0,0,0,0|2,0,1]=4 1409 B13R1.6 C#CCCNCc1cccc(c1)Cl 2230a_100000174878_100000688953 [0,1,0,0,0,0|2,0,1]=4 1410 B13R1.6 C#CCCNCc1cccc(c1)Cl 34a_100000174878_100000688953 [0,1,0,0,0,0|2,0,1]=4 1411 B13R1.6 C#CCCNCc1cccc(c1)Cl 34a_100000755551_100000187163 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.6 C#CCCNCc1cccc(c1)F 2230a_100000174948_100000688953 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.6 C#CCCNCc1cccc(c1)F 34a_100000174948_100000688953 [0,1,0,0,0,0|2,0,1]=4 1414 B13R1.6 C#CCCNCc1cccc(c1)F 34a_100000755551_100000187166 [0,1,0,0,0,0|2,0,1]=4 1415 B13R1.6 C#CCCNCc1cccc(c1)I 2230a_100000106179_100000688953 [0,1,0,0,0,0|2,0,1]=4 1416 B13R1.6 C#CCCNCc1cccc(c1)I 34a_100000106179_100000688953 [0,1,0,0,0,0|2,0,1]=4 1417 B13R1.6 C#CCCNCc1cccc(c1)I 34a_100000755551_100011218688 [0,1,0,0,0,0|2,0,1]=4 1418 B13R1.6 C#CCCNCc1cccc(c1)O 2230a_100000743036_100000688953 [0,1,0,0,0,0|2,0,1]=4 1419 B13R1.6 C#CCCNCc1cccc(c1)O 34a_100000743036_100000688953 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.6 C#CCCNCc1cccc(c1)O 34a_100000755551_100011660834 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.6 C#CCCOCc1cccc(c1)Br 34a_100000687537_100000688953 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.6 C#CCCOCc1cccc(c1)Br 34a_100011215631_100000698116 [0,1,0,0,0,0|2,0,1]=4 1423 B13R1.6 C#CCCOCc1cccc(c1)Br 7a_100000687537_100000688953 [0,1,0,0,0,0|2,0,1]=4 1424 B13R1.6 C#CCCOCc1cccc(c1)C 34a_100011215631_100000211840 [0,1,0,0,0,0|2,0,1]=4 1425 B13R1.6 C#CCCOCc1cccc(c1)C 34a_100011217746_100000688953 [0,1,0,0,0,0|2,0,1]=4 1426 B13R1.6 C#CCCOCc1cccc(c1)C 7a_100011217746_100000688953 [0,1,0,0,0,0|2,0,1]=4 1427 B13R1.6 C#CCCOCc1cccc(c1)Cl 34a_100000241301_100000688953 [0,1,0,0,0,0|2,0,1]=4 1428 B13R1.6 C#CCCOCc1cccc(c1)Cl 34a_100011215631_100000187163 [0,1,0,0,0,0|2,0,1]=4 1429 B13R1.6 C#CCCOCc1cccc(c1)Cl 7a_100000241301_100000688953 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.6 C#CCCOCc1cccc(c1)F 34a_100000210976_100000688953 [0,1,0,0,0,0|2,0,1]=4 1431 B13R1.6 C#CCCOCc1cccc(c1)F 34a_100011215631_100000187166 [0,1,0,0,0,0|2,0,1]=4 1432 B13R1.6 C#CCCOCc1cccc(c1)F 7a_100000210976_100000688953 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.6 C#CCCOCc1cccc(c1)I 34a_100011215336_100000688953 [0,1,0,0,0,0|2,0,1]=4 1434 B13R1.6 C#CCCOCc1cccc(c1)I 34a_100011215631_100011218688 [0,1,0,0,0,0|2,0,1]=4 1435 B13R1.6 C#CCCOCc1cccc(c1)I 7a_100011215336_100000688953 [0,1,0,0,0,0|2,0,1]=4 1436 B13R1.6 C#CCCOCc1cccc(c1)N 34a_100000211919_100000688953 [0,1,0,0,0,0|2,0,1]=4 1437 B13R1.6 C#CCCOCc1cccc(c1)O 34a_100011215631_100011660834 [0,1,0,0,0,0|2,0,1]=4 1438 B13R1.6 C#CCCSCc1cccc(c1)Br 62a_100000211773_100000688953 [0,1,0,0,0,0|2,0,1]=4 1439 B13R1.6 C#CCCSCc1cccc(c1)Br 62a_100000688953_100000211773 [0,1,0,0,0,0|2,0,1]=4 1440 B13R1.6 C#CCCSCc1cccc(c1)C 62a_100000211840_100000688953 [0,1,0,0,0,0|2,0,1]=4 1441 B13R1.6 C#CCCSCc1cccc(c1)C 62a_100000688953_100000211840 [0,1,0,0,0,0|2,0,1]=4 1442 B13R1.6 C#CCCSCc1cccc(c1)Cl 62a_100000187163_100000688953 [0,1,0,0,0,0|2,0,1]=4 1443 B13R1.6 C#CCCSCc1cccc(c1)Cl 62a_100000688953_100000187163 [0,1,0,0,0,0|2,0,1]=4 1444 B13R1.6 C#CCCSCc1cccc(c1)F 62a_100000230114_100000688953 [0,1,0,0,0,0|2,0,1]=4 1445 B13R1.6 C#CCCSCc1cccc(c1)F 62a_100000688953_100000230114 [0,1,0,0,0,0|2,0,1]=4 1446 B13R1.6 C#CCCSCc1cccc(c1)I 62a_100000688953_100011218688 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.6 C#CCCSCc1cccc(c1)I 62a_100011218688_100000688953 [0,1,0,0,0,0|2,0,1]=4 1448 B13R1.6 C#CCCSCc1cccc(c1)O 62a_100000688953_100011660834 [0,1,0,0,0,0|2,0,1]=4 1449 B13R1.6 C#CCCSCc1cccc(c1)O 62a_100011660834_100000688953 [0,1,0,0,0,0|2,0,1]=4 1450 B13R1.6 C#CCNCCc1cccc(c1)Br 2230a_100011207229_100000038162 [0,1,0,0,0,0|2,0,1]=4 1451 B13R1.6 C#CCNCCc1cccc(c1)Br 34a_100000212058_100011740638 [0,1,0,0,0,0|2,0,1]=4 1452 B13R1.6 C#CCNCCc1cccc(c1)Br 34a_100011207229_100000184674 [0,1,0,0,0,0|2,0,1]=4 1453 B13R1.6 C#CCNCCc1cccc(c1)C 2230a_100000749837_100000038162 [0,1,0,0,0,0|2,0,1]=4 1454 B13R1.6 C#CCNCCc1cccc(c1)C 34a_100000212058_100011713685 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.6 C#CCNCCc1cccc(c1)C 34a_100000749837_100000184674 [0,1,0,0,0,0|2,0,1]=4 1456 B13R1.6 C#CCNCCc1cccc(c1)Cl 2230a_100000185263_100000038162 [0,1,0,0,0,0|2,0,1]=4 1457 B13R1.6 C#CCNCCc1cccc(c1)Cl 34a_100000185263_100000184674 [0,1,0,0,0,0|2,0,1]=4 1458 B13R1.6 C#CCNCCc1cccc(c1)Cl 34a_100000212058_100011713710 [0,1,0,0,0,0|2,0,1]=4 1459 B13R1.6 C#CCNCCc1cccc(c1)F 2230a_100000205154_100000038162 [0,1,0,0,0,0|2,0,1]=4 1460 B13R1.6 C#CCNCCc1cccc(c1)F 34a_100000205154_100000184674 [0,1,0,0,0,0|2,0,1]=4 1461 B13R1.6 C#CCNCCc1cccc(c1)F 34a_100000212058_100011217235 [0,1,0,0,0,0|2,0,1]=4 1462 B13R1.6 C#CCNCCc1cccc(c1)O 2230a_100000747277_100000038162 [0,1,0,0,0,0|2,0,1]=4 1463 B13R1.6 C#CCNCCc1cccc(c1)O 34a_100000747277_100000184674 [0,1,0,0,0,0|2,0,1]=4 1464 B13R1.6 C#CCOCCc1cccc(c1)Br 34a_100000210247_100011740638 [0,1,0,0,0,0|2,0,1]=4 1465 B13R1.6 C#CCOCCc1cccc(c1)Br 34a_100011217444_100000184674 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.6 C#CCOCCc1cccc(c1)Br 7a_100011217444_100000038162 [0,1,0,0,0,0|2,0,1]=4 1467 B13R1.6 C#CCOCCc1cccc(c1)C 34a_100000210247_100011713685 [0,1,0,0,0,0|2,0,1]=4 1468 B13R1.6 C#CCOCCc1cccc(c1)C 34a_100011217157_100000184674 [0,1,0,0,0,0|2,0,1]=4 1469 B13R1.6 C#CCOCCc1cccc(c1)C 7a_100011217157_100000038162 [0,1,0,0,0,0|2,0,1]=4 1470 B13R1.6 C#CCOCCc1cccc(c1)Cl 34a_100000210247_100011713710 [0,1,0,0,0,0|2,0,1]=4 1471 B13R1.6 C#CCOCCc1cccc(c1)Cl 34a_100000754733_100000184674 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.6 C#CCOCCc1cccc(c1)Cl 7a_100000754733_100000038162 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.6 C#CCOCCc1cccc(c1)F 34a_100000210247_100011217235 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.6 C#CCOCCc1cccc(c1)F 34a_100000763591_100000184674 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.6 C#CCOCCc1cccc(c1)F 7a_100000763591_100000038162 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.6 C#CCOCCc1cccc(c1)N 34a_100011996697_100000184674 [0,1,0,0,0,0|2,0,1]=4 1477 B13R1.6 C#CCSCCc1cccc(c1)Br 62a_100000038162_100011740638 [0,1,0,0,0,0|2,0,1]=4 1478 B13R1.6 C#CCSCCc1cccc(c1)C 62a_100000038162_100011713685 [0,1,0,0,0,0|2,0,1]=4 1479 B13R1.6 C#CCSCCc1cccc(c1)Cl 62a_100000038162_100011713710 [0,1,0,0,0,0|2,0,1]=4 1480 B13R1.6 C#CCSCCc1cccc(c1)F 62a_100000038162_100011217235 [0,1,0,0,0,0|2,0,1]=4 1481 B13R1.6 C=CCCCNc1cccc(c1)Br 34a_100000210019_100000757094 [0,1,0,0,0,0|2,0,1]=4 1482 B13R1.6 C=CCCCNc1cccc(c1)C 2230a_100000188690_100011713584 [0,1,0,0,0,0|2,0,1]=4 1483 B13R1.6 C=CCCCNc1cccc(c1)C 34a_100000188690_100000757094 [0,1,0,0,0,0|2,0,1]=4 1484 B13R1.6 C=CCCCNc1cccc(c1)Cl 34a_100000185859_100000757094 [0,1,0,0,0,0|2,0,1]=4 1485 B13R1.6 C=CCCCNc1cccc(c1)F 34a_100000210047_100000757094 [0,1,0,0,0,0|2,0,1]=4 1486 B13R1.6 C=CCCCNc1cccc(c1)I 34a_100000211102_100000757094 [0,1,0,0,0,0|2,0,1]=4 1487 B13R1.6 C=CCCCNc1cccc(c1)O 34a_100000210217_100000757094 [0,1,0,0,0,0|2,0,1]=4 1488 B13R1.6 C=CCCCOc1cccc(c1)Br 34a_100000210342_100000757094 [0,1,0,0,0,0|2,0,1]=4 1489 B13R1.6 C=CCCCOc1cccc(c1)Br 7a_100000210342_100000757094 [0,1,0,0,0,0|2,0,1]=4 1490 B13R1.6 C=CCCCOc1cccc(c1)C 34a_100000210337_100000757094 [0,1,0,0,0,0|2,0,1]=4 1491 B13R1.6 C=CCCCOc1cccc(c1)C 7a_100000210337_100000757094 [0,1,0,0,0,0|2,0,1]=4 1492 B13R1.6 C=CCCCOc1cccc(c1)Cl 34a_100000210295_100000757094 [0,1,0,0,0,0|2,0,1]=4 1493 B13R1.6 C=CCCCOc1cccc(c1)Cl 7a_100000210295_100000757094 [0,1,0,0,0,0|2,0,1]=4 1494 B13R1.6 C=CCCCOc1cccc(c1)F 34a_100000210426_100000757094 [0,1,0,0,0,0|2,0,1]=4 1495 B13R1.6 C=CCCCOc1cccc(c1)F 7a_100000210426_100000757094 [0,1,0,0,0,0|2,0,1]=4 1496 B13R1.6 C=CCCCOc1cccc(c1)I 34a_100000211634_100000757094 [0,1,0,0,0,0|2,0,1]=4 1497 B13R1.6 C=CCCCOc1cccc(c1)I 7a_100000211634_100000757094 [0,1,0,0,0,0|2,0,1]=4 1498 B13R1.6 C=CCCCOc1cccc(c1)N 34a_100000210217_100000757094 [0,1,0,0,0,0|2,0,1]=4 1499 B13R1.6 C=CCCCSc1cccc(c1)Br 62a_100000691529_100000757094 [0,1,0,0,0,0|2,0,1]=4 1500 B13R1.6 C=CCCCSc1cccc(c1)Br 62a_100011713584_100000691529 [0,1,0,0,0,0|2,0,1]=4 1501 B13R1.6 C=CCCCSc1cccc(c1)C 62a_100011215228_100000757094 [0,1,0,0,0,0|2,0,1]=4 1502 B13R1.6 C=CCCCSc1cccc(c1)C 62a_100011713584_100011215228 [0,1,0,0,0,0|2,0,1]=4 1503 B13R1.6 C=CCCCSc1cccc(c1)Cl 62a_100000699651_100000757094 [0,1,0,0,0,0|2,0,1]=4 1504 B13R1.6 C=CCCCSc1cccc(c1)Cl 62a_100011713584_100000699651 [0,1,0,0,0,0|2,0,1]=4 1505 B13R1.6 C=CCCCSc1cccc(c1)F 62a_100000685547_100000757094 [0,1,0,0,0,0|2,0,1]=4 1506 B13R1.6 C=CCCCSc1cccc(c1)F 62a_100011713584_100000685547 [0,1,0,0,0,0|2,0,1]=4 1507 B13R1.6 C=CCCCSc1cccc(c1)N 62a_100000210019_100000757094 [0,1,0,0,0,0|2,0,1]=4 1508 B13R1.6 C=CCCCSc1cccc(c1)N 62a_100011713584_100000210019 [0,1,0,0,0,0|2,0,1]=4 1509 B13R1.6 C=CCCCSc1cccc(c1)O 62a_100011713584_100000211634 [0,1,0,0,0,0|2,0,1]=4 1510 B13R1.6 C=CCCCSc1cccc(c1)[S] 62a_100011713584_114929384022 [0,1,0,0,0,0|2,0,1]=4 1511 B13R1.6 C=CCCCSc1cccc(c1)[S] 62a_114929384022_100000757094 [0,1,0,0,0,0|2,0,1]=4 1512 B13R1.6 C=CCCNCc1cccc(c1)Br 207a_100015191253_100000210085 [0,1,0,0,0,0|2,0,1]=4 1513 B13R1.6 C=CCCNCc1cccc(c1)Br 2230a_100000174977_100000754431 [0,1,0,0,0,0|2,0,1]=4 1514 B13R1.6 C=CCCNCc1cccc(c1)Br 2230a_100015191253_100000698116 [0,1,0,0,0,0|2,0,1]=4 1515 B13R1.6 C=CCCNCc1cccc(c1)Br 270004a_100015191253_100000210085 [0,1,0,0,0,0|2,0,1]=4 1516 B13R1.6 C=CCCNCc1cccc(c1)Br 34a_100000174977_100000754431 [0,1,0,0,0,0|2,0,1]=4 1517 B13R1.6 C=CCCNCc1cccc(c1)C 207a_100015191253_100000211157 [0,1,0,0,0,0|2,0,1]=4 1518 B13R1.6 C=CCCNCc1cccc(c1)C 2230a_100000185548_100000754431 [0,1,0,0,0,0|2,0,1]=4 1519 B13R1.6 C=CCCNCc1cccc(c1)C 2230a_100015191253_100000211840 [0,1,0,0,0,0|2,0,1]=4 1520 B13R1.6 C=CCCNCc1cccc(c1)C 270004a_100015191253_100000211157 [0,1,0,0,0,0|2,0,1]=4 1521 B13R1.6 C=CCCNCc1cccc(c1)C 34a_100000185548_100000754431 [0,1,0,0,0,0|2,0,1]=4 1522 B13R1.6 C=CCCNCc1cccc(c1)Cl 207a_100015191253_100000210801 [0,1,0,0,0,0|2,0,1]=4 1523 B13R1.6 C=CCCNCc1cccc(c1)Cl 2230a_100000174878_100000754431 [0,1,0,0,0,0|2,0,1]=4 1524 B13R1.6 C=CCCNCc1cccc(c1)Cl 2230a_100015191253_100000181238 [0,1,0,0,0,0|2,0,1]=4 1525 B13R1.6 C=CCCNCc1cccc(c1)Cl 270004a_100015191253_100000210801 [0,1,0,0,0,0|2,0,1]=4 1526 B13R1.6 C=CCCNCc1cccc(c1)Cl 34a_100000174878_100000754431 [0,1,0,0,0,0|2,0,1]=4 1527 B13R1.6 C=CCCNCc1cccc(c1)F 207a_100015191253_100000210812 [0,1,0,0,0,0|2,0,1]=4 1528 B13R1.6 C=CCCNCc1cccc(c1)F 2230a_100000174948_100000754431 [0,1,0,0,0,0|2,0,1]=4 1529 B13R1.6 C=CCCNCc1cccc(c1)F 2230a_100015191253_100000230114 [0,1,0,0,0,0|2,0,1]=4 1530 B13R1.6 C=CCCNCc1cccc(c1)F 270004a_100015191253_100000210812 [0,1,0,0,0,0|2,0,1]=4 1531 B13R1.6 C=CCCNCc1cccc(c1)F 34a_100000174948_100000754431 [0,1,0,0,0,0|2,0,1]=4 1532 B13R1.6 C=CCCNCc1cccc(c1)I 207a_100015191253_100000014684 [0,1,0,0,0,0|2,0,1]=4 1533 B13R1.6 C=CCCNCc1cccc(c1)I 2230a_100000106179_100000754431 [0,1,0,0,0,0|2,0,1]=4 1534 B13R1.6 C=CCCNCc1cccc(c1)I 2230a_100015191253_100011218688 [0,1,0,0,0,0|2,0,1]=4 1535 B13R1.6 C=CCCNCc1cccc(c1)I 270004a_100015191253_100000014684 [0,1,0,0,0,0|2,0,1]=4 1536 B13R1.6 C=CCCNCc1cccc(c1)I 34a_100000106179_100000754431 [0,1,0,0,0,0|2,0,1]=4 1537 B13R1.6 C=CCCNCc1cccc(c1)O 207a_100015191253_100000188321 [0,1,0,0,0,0|2,0,1]=4 1538 B13R1.6 C=CCCNCc1cccc(c1)O 2230a_100000743036_100000754431 [0,1,0,0,0,0|2,0,1]=4 1539 B13R1.6 C=CCCNCc1cccc(c1)O 2230a_100015191253_100011660834 [0,1,0,0,0,0|2,0,1]=4 1540 B13R1.6 C=CCCNCc1cccc(c1)O 270004a_100015191253_100000188321 [0,1,0,0,0,0|2,0,1]=4 1541 B13R1.6 C=CCCNCc1cccc(c1)O 34a_100000743036_100000754431 [0,1,0,0,0,0|2,0,1]=4 1542 B13R1.6 C=CCCOCc1cccc(c1)Br 34a_100000687537_100000754431 [0,1,0,0,0,0|2,0,1]=4 1543 B13R1.6 C=CCCOCc1cccc(c1)Br 34a_100011205117_100000698116 [0,1,0,0,0,0|2,0,1]=4 1544 B13R1.6 C=CCCOCc1cccc(c1)Br 7a_100000687537_100000754431 [0,1,0,0,0,0|2,0,1]=4 1545 B13R1.6 C=CCCOCc1cccc(c1)C 34a_100011205117_100000211840 [0,1,0,0,0,0|2,0,1]=4 1546 B13R1.6 C=CCCOCc1cccc(c1)C 34a_100011217746_100000754431 [0,1,0,0,0,0|2,0,1]=4 1547 B13R1.6 C=CCCOCc1cccc(c1)C 7a_100011217746_100000754431 [0,1,0,0,0,0|2,0,1]=4 1548 B13R1.6 C=CCCOCc1cccc(c1)Cl 34a_100000241301_100000754431 [0,1,0,0,0,0|2,0,1]=4 1549 B13R1.6 C=CCCOCc1cccc(c1)Cl 34a_100011205117_100000187163 [0,1,0,0,0,0|2,0,1]=4 1550 B13R1.6 C=CCCOCc1cccc(c1)Cl 7a_100000241301_100000754431 [0,1,0,0,0,0|2,0,1]=4 1551 B13R1.6 C=CCCOCc1cccc(c1)F 34a_100000210976_100000754431 [0,1,0,0,0,0|2,0,1]=4 1552 B13R1.6 C=CCCOCc1cccc(c1)F 34a_100011205117_100000187166 [0,1,0,0,0,0|2,0,1]=4 1553 B13R1.6 C=CCCOCc1cccc(c1)F 7a_100000210976_100000754431 [0,1,0,0,0,0|2,0,1]=4 1554 B13R1.6 C=CCCOCc1cccc(c1)I 34a_100011205117_100011218688 [0,1,0,0,0,0|2,0,1]=4 1555 B13R1.6 C=CCCOCc1cccc(c1)I 34a_100011215336_100000754431 [0,1,0,0,0,0|2,0,1]=4 1556 B13R1.6 C=CCCOCc1cccc(c1)I 7a_100011215336_100000754431 [0,1,0,0,0,0|2,0,1]=4 1557 B13R1.6 C=CCCOCc1cccc(c1)N 34a_100000211919_100000754431 [0,1,0,0,0,0|2,0,1]=4 1558 B13R1.6 C=CCCOCc1cccc(c1)O 34a_100011205117_100011660834 [0,1,0,0,0,0|2,0,1]=4 1559 B13R1.6 C=CCCSCc1cccc(c1)Br 62a_100000211773_100000754431 [0,1,0,0,0,0|2,0,1]=4 1560 B13R1.6 C=CCCSCc1cccc(c1)Br 62a_100000754431_100000211773 [0,1,0,0,0,0|2,0,1]=4 1561 B13R1.6 C=CCCSCc1cccc(c1)C 62a_100000211840_100000754431 [0,1,0,0,0,0|2,0,1]=4 1562 B13R1.6 C=CCCSCc1cccc(c1)C 62a_100000754431_100000211840 [0,1,0,0,0,0|2,0,1]=4 1563 B13R1.6 C=CCCSCc1cccc(c1)Cl 62a_100000187163_100000754431 [0,1,0,0,0,0|2,0,1]=4 1564 B13R1.6 C=CCCSCc1cccc(c1)Cl 62a_100000754431_100000187163 [0,1,0,0,0,0|2,0,1]=4 1565 B13R1.6 C=CCCSCc1cccc(c1)F 62a_100000230114_100000754431 [0,1,0,0,0,0|2,0,1]=4 1566 B13R1.6 C=CCCSCc1cccc(c1)F 62a_100000754431_100000230114 [0,1,0,0,0,0|2,0,1]=4 1567 B13R1.6 C=CCCSCc1cccc(c1)I 62a_100000754431_100011218688 [0,1,0,0,0,0|2,0,1]=4 1568 B13R1.6 C=CCCSCc1cccc(c1)I 62a_100011218688_100000754431 [0,1,0,0,0,0|2,0,1]=4 1569 B13R1.6 C=CCCSCc1cccc(c1)O 62a_100000754431_100011660834 [0,1,0,0,0,0|2,0,1]=4 1570 B13R1.6 C=CCCSCc1cccc(c1)O 62a_100011660834_100000754431 [0,1,0,0,0,0|2,0,1]=4 1571 B13R1.6 C=CCNCCc1cccc(c1)Br 2230a_100011207229_100000210623 [0,1,0,0,0,0|2,0,1]=4 1572 B13R1.6 C=CCNCCc1cccc(c1)Br 2230a_100020586998_100011740638 [0,1,0,0,0,0|2,0,1]=4 1573 B13R1.6 C=CCNCCc1cccc(c1)Br 34a_100011207229_100015514636 [0,1,0,0,0,0|2,0,1]=4 1574 B13R1.6 C=CCNCCc1cccc(c1)C 2230a_100000749837_100000210623 [0,1,0,0,0,0|2,0,1]=4 1575 B13R1.6 C=CCNCCc1cccc(c1)C 2230a_100020586998_100011713685 [0,1,0,0,0,0|2,0,1]=4 1576 B13R1.6 C=CCNCCc1cccc(c1)C 34a_100000749837_100015514636 [0,1,0,0,0,0|2,0,1]=4 1577 B13R1.6 C=CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210623 [0,1,0,0,0,0|2,0,1]=4 1578 B13R1.6 C=CCNCCc1cccc(c1)Cl 2230a_100020586998_100011713710 [0,1,0,0,0,0|2,0,1]=4 1579 B13R1.6 C=CCNCCc1cccc(c1)Cl 34a_100000185263_100015514636 [0,1,0,0,0,0|2,0,1]=4 1580 B13R1.6 C=CCNCCc1cccc(c1)F 2230a_100000205154_100000210623 [0,1,0,0,0,0|2,0,1]=4 1581 B13R1.6 C=CCNCCc1cccc(c1)F 2230a_100020586998_100011217235 [0,1,0,0,0,0|2,0,1]=4 1582 B13R1.6 C=CCNCCc1cccc(c1)F 34a_100000205154_100015514636 [0,1,0,0,0,0|2,0,1]=4 1583 B13R1.6 C=CCNCCc1cccc(c1)O 2230a_100000747277_100000210623 [0,1,0,0,0,0|2,0,1]=4 1584 B13R1.6 C=CCNCCc1cccc(c1)O 34a_100000747277_100015514636 [0,1,0,0,0,0|2,0,1]=4 1585 B13R1.6 C=CCOCCc1cccc(c1)Br 34a_100011217444_100015514636 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.6 C=CCOCCc1cccc(c1)Br 34a_200000210373_100011740638 [0,1,0,0,0,0|2,0,1]=4 1587 B13R1.6 C=CCOCCc1cccc(c1)Br 7a_100011217444_100015514636 [0,1,0,0,0,0|2,0,1]=4 1588 B13R1.6 C=CCOCCc1cccc(c1)C 34a_100011217157_100015514636 [0,1,0,0,0,0|2,0,1]=4 1589 B13R1.6 C=CCOCCc1cccc(c1)C 34a_200000210373_100011713685 [0,1,0,0,0,0|2,0,1]=4 1590 B13R1.6 C=CCOCCc1cccc(c1)C 7a_100011217157_100015514636 [0,1,0,0,0,0|2,0,1]=4 1591 B13R1.6 C=CCOCCc1cccc(c1)Cl 34a_100000754733_100015514636 [0,1,0,0,0,0|2,0,1]=4 1592 B13R1.6 C=CCOCCc1cccc(c1)Cl 34a_200000210373_100011713710 [0,1,0,0,0,0|2,0,1]=4 1593 B13R1.6 C=CCOCCc1cccc(c1)Cl 7a_100000754733_100015514636 [0,1,0,0,0,0|2,0,1]=4 1594 B13R1.6 C=CCOCCc1cccc(c1)F 34a_100000763591_100015514636 [0,1,0,0,0,0|2,0,1]=4 1595 B13R1.6 C=CCOCCc1cccc(c1)F 34a_200000210373_100011217235 [0,1,0,0,0,0|2,0,1]=4 1596 B13R1.6 C=CCOCCc1cccc(c1)F 7a_100000763591_100015514636 [0,1,0,0,0,0|2,0,1]=4 1597 B13R1.6 C=CCOCCc1cccc(c1)N 34a_100011996697_100015514636 [0,1,0,0,0,0|2,0,1]=4 1598 B13R1.6 C=CCSCCc1cccc(c1)Br 62a_100000210623_100011740638 [0,1,0,0,0,0|2,0,1]=4 1599 B13R1.6 C=CCSCCc1cccc(c1)Br 62a_100011740638_100000210623 [0,1,0,0,0,0|2,0,1]=4 1600 B13R1.6 C=CCSCCc1cccc(c1)C 62a_100000210623_100011713685 [0,1,0,0,0,0|2,0,1]=4 1601 B13R1.6 C=CCSCCc1cccc(c1)C 62a_100011713685_100000210623 [0,1,0,0,0,0|2,0,1]=4 1602 B13R1.6 C=CCSCCc1cccc(c1)Cl 62a_100000210623_100011713710 [0,1,0,0,0,0|2,0,1]=4 1603 B13R1.6 C=CCSCCc1cccc(c1)Cl 62a_100011713710_100000210623 [0,1,0,0,0,0|2,0,1]=4 1604 B13R1.6 C=CCSCCc1cccc(c1)F 62a_100000210623_100011217235 [0,1,0,0,0,0|2,0,1]=4 1605 B13R1.6 C=CCSCCc1cccc(c1)F 62a_100011217235_100000210623 [0,1,0,0,0,0|2,0,1]=4 1606 B13R1.6 CCCCC=Cc1cccc(c1)Br 271570a_100016275911_100000691529 [0,1,0,0,0,0|1,0,2]=4 1607 B13R1.6 CCCCC=Cc1cccc(c1)C 271570a_100016275911_100011215228 [0,1,0,0,0,0|1,0,2]=4 1608 B13R1.6 CCCCC=Cc1cccc(c1)Cl 271570a_100016275911_100000699651 [0,1,0,0,0,0|1,0,2]=4 1609 B13R1.6 CCCCC=Cc1cccc(c1)F 271570a_100016275911_100000685547 [0,1,0,0,0,0|1,0,2]=4 1610 B13R1.6 CCCCC=Cc1cccc(c1)N 271570a_100016275911_100000210019 [0,1,0,0,0,0|1,0,2]=4 1611 B13R1.6 CCCCC=Cc1cccc(c1)O 271570a_100016275911_100000211634 [0,1,0,0,0,0|1,0,2]=4 1612 B13R1.6 CCCCC=Cc1cccc(c1)[S] 271570a_100016275911_114929384022 [0,1,0,0,0,0|1,0,2]=4 1613 B13R1.6 CCCCCCc1cccc(c1)O 271570a_203496583355_100009816010 [0,1,0,0,0,0|1,0,0]=2 1614 B13R1.6 CCCCCNc1cc(ccn1)F 27a_100000209983_100000764206 [0,1,0,0,0,0|3,0,0]=4 1615 B13R1.6 CCCCCNc1cc[nH]c(=O)c1 27a_100000209983_100000061649 [0,1,0,0,0,0|3,0,0]=4 1616 B13R1.6 CCCCCNc1cccc(c1)Br 34a_100000210019_100000718602 [0,1,0,0,0,0|2,0,0]=3 1617 B13R1.6 CCCCCNc1cccc(c1)C 2230a_100000188690_100000210326 [0,1,0,0,0,0|2,0,0]=3 1618 B13R1.6 CCCCCNc1cccc(c1)C 34a_100000188690_100000718602 [0,1,0,0,0,0|2,0,0]=3 1619 B13R1.6 CCCCCNc1cccc(c1)Cl 34a_100000185859_100000718602 [0,1,0,0,0,0|2,0,0]=3 1620 B13R1.6 CCCCCNc1cccc(c1)F 34a_100000210047_100000718602 [0,1,0,0,0,0|2,0,0]=3 1621 B13R1.6 CCCCCNc1cccc(c1)I 34a_100000211102_100000718602 [0,1,0,0,0,0|2,0,0]=3 1622 B13R1.6 CCCCCNc1cccc(c1)O 34a_100000210217_100000718602 [0,1,0,0,0,0|2,0,0]=3 1623 B13R1.6 CCCCCNc1cccc(n1)F 27a_100000209983_100009815982 [0,1,0,0,0,0|3,0,0]=4 1624 B13R1.6 CCCCCNc1ccnc(c1)C 27a_100000209983_100000758586 [0,1,0,0,0,0|3,0,0]=4 1625 B13R1.6 CCCCCNc1ccnc(c1)F 27a_100000209983_100009816116 [0,1,0,0,0,0|3,0,0]=4 1626 B13R1.6 CCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000718602 [0,1,0,0,0,0|3,0,0]=4 1627 B13R1.6 CCCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000718602 [0,1,0,0,0,0|3,0,0]=4 1628 B13R1.6 CCCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210326 [0,1,0,0,0,0|3,0,0]=4 1629 B13R1.6 CCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000718602 [0,1,0,0,0,0|3,0,0]=4 1630 B13R1.6 CCCCCOc1cccc(c1)Br 34a_100000210342_100000718602 [0,1,0,0,0,0|2,0,0]=3 1631 B13R1.6 CCCCCOc1cccc(c1)Br 7a_100000210342_100000210326 [0,1,0,0,0,0|2,0,0]=3 1632 B13R1.6 CCCCCOc1cccc(c1)C 34a_100000210337_100000718602 [0,1,0,0,0,0|2,0,0]=3 1633 B13R1.6 CCCCCOc1cccc(c1)C 7a_100000210337_100000210326 [0,1,0,0,0,0|2,0,0]=3 1634 B13R1.6 CCCCCOc1cccc(c1)Cl 34a_100000210295_100000718602 [0,1,0,0,0,0|2,0,0]=3 1635 B13R1.6 CCCCCOc1cccc(c1)Cl 7a_100000210295_100000210326 [0,1,0,0,0,0|2,0,0]=3 1636 B13R1.6 CCCCCOc1cccc(c1)F 34a_100000210426_100000718602 [0,1,0,0,0,0|2,0,0]=3 1637 B13R1.6 CCCCCOc1cccc(c1)F 7a_100000210426_100000210326 [0,1,0,0,0,0|2,0,0]=3 1638 B13R1.6 CCCCCOc1cccc(c1)I 34a_100000211634_100000718602 [0,1,0,0,0,0|2,0,0]=3 1639 B13R1.6 CCCCCOc1cccc(c1)I 7a_100000211634_100000210326 [0,1,0,0,0,0|2,0,0]=3 1640 B13R1.6 CCCCCOc1cccc(c1)N 34a_100000210217_100000718602 [0,1,0,0,0,0|2,0,0]=3 1641 B13R1.6 CCCCCOc1cccc(n1)F 34a_100011432558_100000718602 [0,1,0,0,0,0|3,0,0]=4 1642 B13R1.6 CCCCCOc1ccnc(c1)C 34a_100000688365_100000718602 [0,1,0,0,0,0|3,0,0]=4 1643 B13R1.6 CCCCCOc1ccnc(c1)Cl 34a_100000762945_100000718602 [0,1,0,0,0,0|3,0,0]=4 1644 B13R1.6 CCCCCOc1ccnc(c1)F 34a_100000732698_100000718602 [0,1,0,0,0,0|3,0,0]=4 1645 B13R1.6 CCCCCOc1ccnc(c1)N 34a_100011834064_100000718602 [0,1,0,0,0,0|3,0,0]=4 1646 B13R1.6 CCCCCOc1cncc(c1)Br 34a_100000754920_100000718602 [0,1,0,0,0,0|3,0,0]=4 1647 B13R1.6 CCCCCOc1cncc(c1)Br 7a_100000754920_100000210326 [0,1,0,0,0,0|3,0,0]=4 1648 B13R1.6 CCCCCOc1cncc(c1)C 34a_100011830280_100000718602 [0,1,0,0,0,0|3,0,0]=4 1649 B13R1.6 CCCCCOc1cncc(c1)C 7a_100011830280_100000210326 [0,1,0,0,0,0|3,0,0]=4 1650 B13R1.6 CCCCCOc1cncc(c1)Cl 7a_100000032511_100000210326 [0,1,0,0,0,0|3,0,0]=4 1651 B13R1.6 CCCCCOc1cncc(c1)F 34a_100011830296_100000718602 [0,1,0,0,0,0|3,0,0]=4 1652 B13R1.6 CCCCCOc1cncc(c1)F 7a_100011830296_100000210326 [0,1,0,0,0,0|3,0,0]=4 1653 B13R1.6 CCCCCOc1cncc(c1)N 34a_100011997051_100000718602 [0,1,0,0,0,0|3,0,0]=4 1654 B13R1.6 CCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210326 [0,1,0,0,0,0|3,0,0]=4 1655 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000210326_100000750283 [0,1,0,0,0,0|3,0,0]=4 1656 B13R1.6 CCCCCSc1cc(ccn1)C 62a_100000750283_100000210326 [0,1,0,0,0,0|3,0,0]=4 1657 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100000210326_100010167805 [0,1,0,0,0,0|3,0,0]=4 1658 B13R1.6 CCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210326 [0,1,0,0,0,0|3,0,0]=4 1659 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000210326_100000764206 [0,1,0,0,0,0|3,0,0]=4 1660 B13R1.6 CCCCCSc1cc(ccn1)F 62a_100000764206_100000210326 [0,1,0,0,0,0|3,0,0]=4 1661 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100000210326_100009814236 [0,1,0,0,0,0|3,0,0]=4 1662 B13R1.6 CCCCCSc1cc(ccn1)N 62a_100009814236_100000210326 [0,1,0,0,0,0|3,0,0]=4 1663 B13R1.6 CCCCCSc1cc(ccn1)O 62a_100000210326_100000762945 [0,1,0,0,0,0|3,0,0]=4 1664 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100000210326_100009816521 [0,1,0,0,0,0|3,0,0]=4 1665 B13R1.6 CCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210326 [0,1,0,0,0,0|3,0,0]=4 1666 B13R1.6 CCCCCSc1ccc[n+](c1)C 62a_100000210326_100009996589 [0,1,0,0,0,0|3,0,0]=4 1667 B13R1.6 CCCCCSc1ccc[n+](c1)C 62a_100009996589_100000210326 [0,1,0,0,0,0|3,0,0]=4 1668 B13R1.6 CCCCCSc1ccc[n+](c1)[O-] 62a_100000210326_100009815978 [0,1,0,0,0,0|3,0,0]=4 1669 B13R1.6 CCCCCSc1cccc(=O)[nH]1 62a_100000210326_100000752884 [0,1,0,0,0,0|3,0,0]=4 1670 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000210326_100000691529 [0,1,0,0,0,0|2,0,0]=3 1671 B13R1.6 CCCCCSc1cccc(c1)Br 62a_100000691529_100000210326 [0,1,0,0,0,0|2,0,0]=3 1672 B13R1.6 CCCCCSc1cccc(c1)C 62a_100000210326_100011215228 [0,1,0,0,0,0|2,0,0]=3 1673 B13R1.6 CCCCCSc1cccc(c1)C 62a_100011215228_100000210326 [0,1,0,0,0,0|2,0,0]=3 1674 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000210326_100000699651 [0,1,0,0,0,0|2,0,0]=3 1675 B13R1.6 CCCCCSc1cccc(c1)Cl 62a_100000699651_100000210326 [0,1,0,0,0,0|2,0,0]=3 1676 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000210326_100000685547 [0,1,0,0,0,0|2,0,0]=3 1677 B13R1.6 CCCCCSc1cccc(c1)F 62a_100000685547_100000210326 [0,1,0,0,0,0|2,0,0]=3 1678 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210019_100000210326 [0,1,0,0,0,0|2,0,0]=3 1679 B13R1.6 CCCCCSc1cccc(c1)N 62a_100000210326_100000210019 [0,1,0,0,0,0|2,0,0]=3 1680 B13R1.6 CCCCCSc1cccc(c1)O 62a_100000210326_100000211634 [0,1,0,0,0,0|2,0,0]=3 1681 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_100000210326_114929384022 [0,1,0,0,0,0|2,0,0]=3 1682 B13R1.6 CCCCCSc1cccc(c1)[S] 62a_114929384022_100000210326 [0,1,0,0,0,0|2,0,0]=3 1683 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000210326_100000684672 [0,1,0,0,0,0|3,0,0]=4 1684 B13R1.6 CCCCCSc1cccc(n1)Br 62a_100000684672_100000210326 [0,1,0,0,0,0|3,0,0]=4 1685 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000210326_100000742759 [0,1,0,0,0,0|3,0,0]=4 1686 B13R1.6 CCCCCSc1cccc(n1)C 62a_100000742759_100000210326 [0,1,0,0,0,0|3,0,0]=4 1687 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000051397_100000210326 [0,1,0,0,0,0|3,0,0]=4 1688 B13R1.6 CCCCCSc1cccc(n1)Cl 62a_100000210326_100000051397 [0,1,0,0,0,0|3,0,0]=4 1689 B13R1.6 CCCCCSc1cccc(n1)F 62a_100000210326_100009815982 [0,1,0,0,0,0|3,0,0]=4 1690 B13R1.6 CCCCCSc1cccc(n1)F 62a_100009815982_100000210326 [0,1,0,0,0,0|3,0,0]=4 1691 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000210326_100000740741 [0,1,0,0,0,0|3,0,0]=4 1692 B13R1.6 CCCCCSc1cccc(n1)N 62a_100000740741_100000210326 [0,1,0,0,0,0|3,0,0]=4 1693 B13R1.6 CCCCCSc1ccnc(c1)Br 62a_100000210326_100009814637 [0,1,0,0,0,0|3,0,0]=4 1694 B13R1.6 CCCCCSc1ccnc(c1)Br 62a_100009814637_100000210326 [0,1,0,0,0,0|3,0,0]=4 1695 B13R1.6 CCCCCSc1ccnc(c1)C 62a_100000210326_100000758586 [0,1,0,0,0,0|3,0,0]=4 1696 B13R1.6 CCCCCSc1ccnc(c1)C 62a_100000758586_100000210326 [0,1,0,0,0,0|3,0,0]=4 1697 B13R1.6 CCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210326 [0,1,0,0,0,0|3,0,0]=4 1698 B13R1.6 CCCCCSc1ccnc(c1)Cl 62a_100000210326_100000035001 [0,1,0,0,0,0|3,0,0]=4 1699 B13R1.6 CCCCCSc1ccnc(c1)F 62a_100000210326_100009816116 [0,1,0,0,0,0|3,0,0]=4 1700 B13R1.6 CCCCCSc1ccnc(c1)F 62a_100009816116_100000210326 [0,1,0,0,0,0|3,0,0]=4 1701 B13R1.6 CCCCCSc1ccnc(c1)N 62a_100000049665_100000210326 [0,1,0,0,0,0|3,0,0]=4 1702 B13R1.6 CCCCCSc1ccnc(c1)N 62a_100000210326_100000049665 [0,1,0,0,0,0|3,0,0]=4 1703 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000210326_100000728054 [0,1,0,0,0,0|3,0,0]=4 1704 B13R1.6 CCCCCSc1cncc(c1)Br 62a_100000728054_100000210326 [0,1,0,0,0,0|3,0,0]=4 1705 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000210326_100000760492 [0,1,0,0,0,0|3,0,0]=4 1706 B13R1.6 CCCCCSc1cncc(c1)C 62a_100000760492_100000210326 [0,1,0,0,0,0|3,0,0]=4 1707 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000049639_100000210326 [0,1,0,0,0,0|3,0,0]=4 1708 B13R1.6 CCCCCSc1cncc(c1)Cl 62a_100000210326_100000049639 [0,1,0,0,0,0|3,0,0]=4 1709 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000210326_100000744099 [0,1,0,0,0,0|3,0,0]=4 1710 B13R1.6 CCCCCSc1cncc(c1)F 62a_100000744099_100000210326 [0,1,0,0,0,0|3,0,0]=4 1711 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000210326_100000687067 [0,1,0,0,0,0|3,0,0]=4 1712 B13R1.6 CCCCCSc1cncc(c1)N 62a_100000687067_100000210326 [0,1,0,0,0,0|3,0,0]=4 1713 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000210326_100000754920 [0,1,0,0,0,0|3,0,0]=4 1714 B13R1.6 CCCCCSc1cncc(c1)O 62a_100000754920_100000210326 [0,1,0,0,0,0|3,0,0]=4 1715 B13R1.6 CCCCNCc1cc(ccn1)Br 2230a_100000102301_100010173614 [0,1,0,0,0,0|3,0,0]=4 1716 B13R1.6 CCCCNCc1cc(ccn1)Br 270004a_100000102301_100009818557 [0,1,0,0,0,0|3,0,0]=4 1717 B13R1.6 CCCCNCc1cc(ccn1)Br 7a_106832991798_100010173614 [0,1,0,0,0,0|3,0,0]=4 1718 B13R1.6 CCCCNCc1cc(ccn1)C 207a_100000102301_100011361488 [0,1,0,0,0,0|3,0,0]=4 1719 B13R1.6 CCCCNCc1cc(ccn1)C 2230a_100000102301_100000718516 [0,1,0,0,0,0|3,0,0]=4 1720 B13R1.6 CCCCNCc1cc(ccn1)C 270004a_100000102301_100011361488 [0,1,0,0,0,0|3,0,0]=4 1721 B13R1.6 CCCCNCc1cc(ccn1)C 7a_106832991798_100000718516 [0,1,0,0,0,0|3,0,0]=4 1722 B13R1.6 CCCCNCc1cc(ccn1)Cl 2230a_100000102301_100016988179 [0,1,0,0,0,0|3,0,0]=4 1723 B13R1.6 CCCCNCc1cc(ccn1)Cl 270004a_100000102301_100011998288 [0,1,0,0,0,0|3,0,0]=4 1724 B13R1.6 CCCCNCc1cc(ccn1)Cl 7a_106832991798_100016988179 [0,1,0,0,0,0|3,0,0]=4 1725 B13R1.6 CCCCNCc1cccc(=O)[nH]1 207a_100000102301_100011935257 [0,1,0,0,0,0|3,0,0]=4 1726 B13R1.6 CCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210211 [0,1,0,0,0,0|3,0,0]=4 1727 B13R1.6 CCCCNCc1cccc(c1)Br 207a_100000102301_100000210085 [0,1,0,0,0,0|2,0,0]=3 1728 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000102301_100000698116 [0,1,0,0,0,0|2,0,0]=3 1729 B13R1.6 CCCCNCc1cccc(c1)Br 2230a_100000174977_100000210211 [0,1,0,0,0,0|2,0,0]=3 1730 B13R1.6 CCCCNCc1cccc(c1)Br 270004a_100000102301_100000210085 [0,1,0,0,0,0|2,0,0]=3 1731 B13R1.6 CCCCNCc1cccc(c1)Br 34a_100000174977_100000210210 [0,1,0,0,0,0|2,0,0]=3 1732 B13R1.6 CCCCNCc1cccc(c1)Br 7a_106832991798_100000211773 [0,1,0,0,0,0|2,0,0]=3 1733 B13R1.6 CCCCNCc1cccc(c1)C 207a_100000102301_100000211157 [0,1,0,0,0,0|2,0,0]=3 1734 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000102301_100000211840 [0,1,0,0,0,0|2,0,0]=3 1735 B13R1.6 CCCCNCc1cccc(c1)C 2230a_100000185548_100000210211 [0,1,0,0,0,0|2,0,0]=3 1736 B13R1.6 CCCCNCc1cccc(c1)C 270004a_100000102301_100000211157 [0,1,0,0,0,0|2,0,0]=3 1737 B13R1.6 CCCCNCc1cccc(c1)C 34a_100000185548_100000210210 [0,1,0,0,0,0|2,0,0]=3 1738 B13R1.6 CCCCNCc1cccc(c1)C 7a_106832991798_100000211840 [0,1,0,0,0,0|2,0,0]=3 1739 B13R1.6 CCCCNCc1cccc(c1)Cl 207a_100000102301_100000210801 [0,1,0,0,0,0|2,0,0]=3 1740 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000102301_100000181238 [0,1,0,0,0,0|2,0,0]=3 1741 B13R1.6 CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210211 [0,1,0,0,0,0|2,0,0]=3 1742 B13R1.6 CCCCNCc1cccc(c1)Cl 270004a_100000102301_100000210801 [0,1,0,0,0,0|2,0,0]=3 1743 B13R1.6 CCCCNCc1cccc(c1)Cl 34a_100000174878_100000210210 [0,1,0,0,0,0|2,0,0]=3 1744 B13R1.6 CCCCNCc1cccc(c1)Cl 7a_106832991798_100000187163 [0,1,0,0,0,0|2,0,0]=3 1745 B13R1.6 CCCCNCc1cccc(c1)F 207a_100000102301_100000210812 [0,1,0,0,0,0|2,0,0]=3 1746 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000102301_100000230114 [0,1,0,0,0,0|2,0,0]=3 1747 B13R1.6 CCCCNCc1cccc(c1)F 2230a_100000174948_100000210211 [0,1,0,0,0,0|2,0,0]=3 1748 B13R1.6 CCCCNCc1cccc(c1)F 270004a_100000102301_100000210812 [0,1,0,0,0,0|2,0,0]=3 1749 B13R1.6 CCCCNCc1cccc(c1)F 34a_100000174948_100000210210 [0,1,0,0,0,0|2,0,0]=3 1750 B13R1.6 CCCCNCc1cccc(c1)F 7a_106832991798_100000230114 [0,1,0,0,0,0|2,0,0]=3 1751 B13R1.6 CCCCNCc1cccc(c1)I 207a_100000102301_100000014684 [0,1,0,0,0,0|2,0,0]=3 1752 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000102301_100011218688 [0,1,0,0,0,0|2,0,0]=3 1753 B13R1.6 CCCCNCc1cccc(c1)I 2230a_100000106179_100000210211 [0,1,0,0,0,0|2,0,0]=3 1754 B13R1.6 CCCCNCc1cccc(c1)I 270004a_100000102301_100000014684 [0,1,0,0,0,0|2,0,0]=3 1755 B13R1.6 CCCCNCc1cccc(c1)I 34a_100000106179_100000210210 [0,1,0,0,0,0|2,0,0]=3 1756 B13R1.6 CCCCNCc1cccc(c1)I 7a_106832991798_100011218688 [0,1,0,0,0,0|2,0,0]=3 1757 B13R1.6 CCCCNCc1cccc(c1)O 207a_100000102301_100000188321 [0,1,0,0,0,0|2,0,0]=3 1758 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000102301_100011660834 [0,1,0,0,0,0|2,0,0]=3 1759 B13R1.6 CCCCNCc1cccc(c1)O 2230a_100000743036_100000210211 [0,1,0,0,0,0|2,0,0]=3 1760 B13R1.6 CCCCNCc1cccc(c1)O 270004a_100000102301_100000188321 [0,1,0,0,0,0|2,0,0]=3 1761 B13R1.6 CCCCNCc1cccc(c1)O 271570a_203496583355_100015186518 [0,1,0,0,0,0|2,0,0]=3 1762 B13R1.6 CCCCNCc1cccc(c1)O 34a_100000743036_100000210210 [0,1,0,0,0,0|2,0,0]=3 1763 B13R1.6 CCCCNCc1cccc(c1)O 7a_106832991798_100000084143 [0,1,0,0,0,0|2,0,0]=3 1764 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100000102301_100009889011 [0,1,0,0,0,0|3,0,0]=4 1765 B13R1.6 CCCCNCc1cccc(n1)Br 2230a_100016987751_100000210211 [0,1,0,0,0,0|3,0,0]=4 1766 B13R1.6 CCCCNCc1cccc(n1)Br 270004a_100000102301_100000688028 [0,1,0,0,0,0|3,0,0]=4 1767 B13R1.6 CCCCNCc1cccc(n1)Br 7a_106832991798_100009889011 [0,1,0,0,0,0|3,0,0]=4 1768 B13R1.6 CCCCNCc1cccc(n1)C 207a_100000102301_100011215050 [0,1,0,0,0,0|3,0,0]=4 1769 B13R1.6 CCCCNCc1cccc(n1)C 2230a_100000102301_100000757606 [0,1,0,0,0,0|3,0,0]=4 1770 B13R1.6 CCCCNCc1cccc(n1)C 270004a_100000102301_100011215050 [0,1,0,0,0,0|3,0,0]=4 1771 B13R1.6 CCCCNCc1cccc(n1)C 34a_100000701342_100000210210 [0,1,0,0,0,0|3,0,0]=4 1772 B13R1.6 CCCCNCc1cccc(n1)C 7a_106832991798_100000757606 [0,1,0,0,0,0|3,0,0]=4 1773 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100000102301_100000086093 [0,1,0,0,0,0|3,0,0]=4 1774 B13R1.6 CCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210211 [0,1,0,0,0,0|3,0,0]=4 1775 B13R1.6 CCCCNCc1cccc(n1)Cl 270004a_100000102301_100011361687 [0,1,0,0,0,0|3,0,0]=4 1776 B13R1.6 CCCCNCc1cccc(n1)Cl 7a_106832991798_100000086093 [0,1,0,0,0,0|3,0,0]=4 1777 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100000102301_100009819644 [0,1,0,0,0,0|3,0,0]=4 1778 B13R1.6 CCCCNCc1cccc(n1)F 2230a_100015188798_100000210211 [0,1,0,0,0,0|3,0,0]=4 1779 B13R1.6 CCCCNCc1cccc(n1)F 270004a_100000102301_100000050434 [0,1,0,0,0,0|3,0,0]=4 1780 B13R1.6 CCCCNCc1cccc(n1)F 34a_100015188798_100000210210 [0,1,0,0,0,0|3,0,0]=4 1781 B13R1.6 CCCCNCc1cccc(n1)F 7a_106832991798_100009819644 [0,1,0,0,0,0|3,0,0]=4 1782 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100000102301_100010243470 [0,1,0,0,0,0|3,0,0]=4 1783 B13R1.6 CCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210211 [0,1,0,0,0,0|3,0,0]=4 1784 B13R1.6 CCCCNCc1ccnc(c1)Br 270004a_100000102301_100009814634 [0,1,0,0,0,0|3,0,0]=4 1785 B13R1.6 CCCCNCc1ccnc(c1)Br 34a_100025757509_100000210210 [0,1,0,0,0,0|3,0,0]=4 1786 B13R1.6 CCCCNCc1ccnc(c1)Br 7a_106832991798_100010254460 [0,1,0,0,0,0|3,0,0]=4 1787 B13R1.6 CCCCNCc1ccnc(c1)C 207a_100000102301_100011361630 [0,1,0,0,0,0|3,0,0]=4 1788 B13R1.6 CCCCNCc1ccnc(c1)C 2230a_100000102301_200020672517 [0,1,0,0,0,0|3,0,0]=4 1789 B13R1.6 CCCCNCc1ccnc(c1)C 270004a_100000102301_100011361630 [0,1,0,0,0,0|3,0,0]=4 1790 B13R1.6 CCCCNCc1ccnc(c1)C 34a_100011934566_100000210210 [0,1,0,0,0,0|3,0,0]=4 1791 B13R1.6 CCCCNCc1ccnc(c1)C 7a_106832991798_200020672517 [0,1,0,0,0,0|3,0,0]=4 1792 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100000102301_100000764220 [0,1,0,0,0,0|3,0,0]=4 1793 B13R1.6 CCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210211 [0,1,0,0,0,0|3,0,0]=4 1794 B13R1.6 CCCCNCc1ccnc(c1)Cl 270004a_100000102301_100011290808 [0,1,0,0,0,0|3,0,0]=4 1795 B13R1.6 CCCCNCc1ccnc(c1)Cl 34a_100015205668_100000210210 [0,1,0,0,0,0|3,0,0]=4 1796 B13R1.6 CCCCNCc1ccnc(c1)Cl 7a_106832991798_100000764220 [0,1,0,0,0,0|3,0,0]=4 1797 B13R1.6 CCCCNCc1ccnc(c1)F 2230a_100015188774_100000210211 [0,1,0,0,0,0|3,0,0]=4 1798 B13R1.6 CCCCNCc1ccnc(c1)F 270004a_100000102301_100000068331 [0,1,0,0,0,0|3,0,0]=4 1799 B13R1.6 CCCCNCc1ccnc(c1)F 34a_100015188774_100000210210 [0,1,0,0,0,0|3,0,0]=4 1800 B13R1.6 CCCCNCc1ccnc(c1)O 207a_100000102301_100000688113 [0,1,0,0,0,0|3,0,0]=4 1801 B13R1.6 CCCCNCc1cncc(c1)Br 207a_100000102301_100000687066 [0,1,0,0,0,0|3,0,0]=4 1802 B13R1.6 CCCCNCc1cncc(c1)Br 2230a_100000102301_100000738771 [0,1,0,0,0,0|3,0,0]=4 1803 B13R1.6 CCCCNCc1cncc(c1)Br 270004a_100000102301_100000687066 [0,1,0,0,0,0|3,0,0]=4 1804 B13R1.6 CCCCNCc1cncc(c1)Br 7a_106832991798_100000738771 [0,1,0,0,0,0|3,0,0]=4 1805 B13R1.6 CCCCNCc1cncc(c1)C 207a_100000102301_100011998712 [0,1,0,0,0,0|3,0,0]=4 1806 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000102301_100000716715 [0,1,0,0,0,0|3,0,0]=4 1807 B13R1.6 CCCCNCc1cncc(c1)C 2230a_100000692839_100000210211 [0,1,0,0,0,0|3,0,0]=4 1808 B13R1.6 CCCCNCc1cncc(c1)C 270004a_100000102301_100011998712 [0,1,0,0,0,0|3,0,0]=4 1809 B13R1.6 CCCCNCc1cncc(c1)C 34a_100000692839_100000210210 [0,1,0,0,0,0|3,0,0]=4 1810 B13R1.6 CCCCNCc1cncc(c1)C 7a_106832991798_100000716715 [0,1,0,0,0,0|3,0,0]=4 1811 B13R1.6 CCCCNCc1cncc(c1)Cl 207a_100000102301_100000088910 [0,1,0,0,0,0|3,0,0]=4 1812 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_100000102301_100016992070 [0,1,0,0,0,0|3,0,0]=4 1813 B13R1.6 CCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210211 [0,1,0,0,0,0|3,0,0]=4 1814 B13R1.6 CCCCNCc1cncc(c1)Cl 270004a_100000102301_100000088910 [0,1,0,0,0,0|3,0,0]=4 1815 B13R1.6 CCCCNCc1cncc(c1)Cl 7a_106832991798_100016992070 [0,1,0,0,0,0|3,0,0]=4 1816 B13R1.6 CCCCNCc1cncc(c1)F 207a_100000102301_100011361476 [0,1,0,0,0,0|3,0,0]=4 1817 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100000102301_100000725299 [0,1,0,0,0,0|3,0,0]=4 1818 B13R1.6 CCCCNCc1cncc(c1)F 2230a_100011962886_100000210211 [0,1,0,0,0,0|3,0,0]=4 1819 B13R1.6 CCCCNCc1cncc(c1)F 270004a_100000102301_100011361476 [0,1,0,0,0,0|3,0,0]=4 1820 B13R1.6 CCCCNCc1cncc(c1)F 34a_100011962886_100000210210 [0,1,0,0,0,0|3,0,0]=4 1821 B13R1.6 CCCCNCc1cncc(c1)F 7a_106832991798_100000725299 [0,1,0,0,0,0|3,0,0]=4 1822 B13R1.6 CCCCNCc1cncc(c1)O 207a_100000102301_100012187055 [0,1,0,0,0,0|3,0,0]=4 1823 B13R1.6 CCCCNCc1cncc(c1)O 270004a_100000102301_100012187055 [0,1,0,0,0,0|3,0,0]=4 1824 B13R1.6 CCCCOCc1cc(ccn1)Br 34a_100000210227_100010173614 [0,1,0,0,0,0|3,0,0]=4 1825 B13R1.6 CCCCOCc1cc(ccn1)Br 7a_100000210227_100010173614 [0,1,0,0,0,0|3,0,0]=4 1826 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100000210227_100000718516 [0,1,0,0,0,0|3,0,0]=4 1827 B13R1.6 CCCCOCc1cc(ccn1)C 34a_100011998357_100000210210 [0,1,0,0,0,0|3,0,0]=4 1828 B13R1.6 CCCCOCc1cc(ccn1)C 7a_100000210227_100000718516 [0,1,0,0,0,0|3,0,0]=4 1829 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000210227_100016988179 [0,1,0,0,0,0|3,0,0]=4 1830 B13R1.6 CCCCOCc1cc(ccn1)Cl 34a_100000748867_100000210210 [0,1,0,0,0,0|3,0,0]=4 1831 B13R1.6 CCCCOCc1cc(ccn1)Cl 7a_100000210227_100016988179 [0,1,0,0,0,0|3,0,0]=4 1832 B13R1.6 CCCCOCc1cc(ccn1)N 34a_100000692640_100000210210 [0,1,0,0,0,0|3,0,0]=4 1833 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210210 [0,1,0,0,0,0|3,0,0]=4 1834 B13R1.6 CCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210211 [0,1,0,0,0,0|3,0,0]=4 1835 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000210227_100000698116 [0,1,0,0,0,0|2,0,0]=3 1836 B13R1.6 CCCCOCc1cccc(c1)Br 34a_100000687537_100000210210 [0,1,0,0,0,0|2,0,0]=3 1837 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000210227_100000211773 [0,1,0,0,0,0|2,0,0]=3 1838 B13R1.6 CCCCOCc1cccc(c1)Br 7a_100000687537_100000210211 [0,1,0,0,0,0|2,0,0]=3 1839 B13R1.6 CCCCOCc1cccc(c1)C 34a_100000210227_100000211840 [0,1,0,0,0,0|2,0,0]=3 1840 B13R1.6 CCCCOCc1cccc(c1)C 34a_100011217746_100000210210 [0,1,0,0,0,0|2,0,0]=3 1841 B13R1.6 CCCCOCc1cccc(c1)C 7a_100000210227_100000211840 [0,1,0,0,0,0|2,0,0]=3 1842 B13R1.6 CCCCOCc1cccc(c1)C 7a_100011217746_100000210211 [0,1,0,0,0,0|2,0,0]=3 1843 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000210227_100000187163 [0,1,0,0,0,0|2,0,0]=3 1844 B13R1.6 CCCCOCc1cccc(c1)Cl 34a_100000241301_100000210210 [0,1,0,0,0,0|2,0,0]=3 1845 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000210227_100000187163 [0,1,0,0,0,0|2,0,0]=3 1846 B13R1.6 CCCCOCc1cccc(c1)Cl 7a_100000241301_100000210211 [0,1,0,0,0,0|2,0,0]=3 1847 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210227_100000187166 [0,1,0,0,0,0|2,0,0]=3 1848 B13R1.6 CCCCOCc1cccc(c1)F 34a_100000210976_100000210210 [0,1,0,0,0,0|2,0,0]=3 1849 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210227_100000230114 [0,1,0,0,0,0|2,0,0]=3 1850 B13R1.6 CCCCOCc1cccc(c1)F 7a_100000210976_100000210211 [0,1,0,0,0,0|2,0,0]=3 1851 B13R1.6 CCCCOCc1cccc(c1)I 34a_100000210227_100011218688 [0,1,0,0,0,0|2,0,0]=3 1852 B13R1.6 CCCCOCc1cccc(c1)I 34a_100011215336_100000210210 [0,1,0,0,0,0|2,0,0]=3 1853 B13R1.6 CCCCOCc1cccc(c1)I 7a_100000210227_100011218688 [0,1,0,0,0,0|2,0,0]=3 1854 B13R1.6 CCCCOCc1cccc(c1)I 7a_100011215336_100000210211 [0,1,0,0,0,0|2,0,0]=3 1855 B13R1.6 CCCCOCc1cccc(c1)N 34a_100000211919_100000210210 [0,1,0,0,0,0|2,0,0]=3 1856 B13R1.6 CCCCOCc1cccc(c1)O 34a_100000210227_100011660834 [0,1,0,0,0,0|2,0,0]=3 1857 B13R1.6 CCCCOCc1cccc(c1)O 7a_100000210227_100000084143 [0,1,0,0,0,0|2,0,0]=3 1858 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000210227_100009889011 [0,1,0,0,0,0|3,0,0]=4 1859 B13R1.6 CCCCOCc1cccc(n1)Br 34a_100000694195_100000210210 [0,1,0,0,0,0|3,0,0]=4 1860 B13R1.6 CCCCOCc1cccc(n1)Br 7a_100000210227_100009889011 [0,1,0,0,0,0|3,0,0]=4 1861 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000210227_100000757606 [0,1,0,0,0,0|3,0,0]=4 1862 B13R1.6 CCCCOCc1cccc(n1)C 34a_100000690600_100000210210 [0,1,0,0,0,0|3,0,0]=4 1863 B13R1.6 CCCCOCc1cccc(n1)C 7a_100000210227_100000757606 [0,1,0,0,0,0|3,0,0]=4 1864 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100000210227_100000086093 [0,1,0,0,0,0|3,0,0]=4 1865 B13R1.6 CCCCOCc1cccc(n1)Cl 34a_100011998359_100000210210 [0,1,0,0,0,0|3,0,0]=4 1866 B13R1.6 CCCCOCc1cccc(n1)Cl 7a_100000210227_100000086093 [0,1,0,0,0,0|3,0,0]=4 1867 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000086748_100000210210 [0,1,0,0,0,0|3,0,0]=4 1868 B13R1.6 CCCCOCc1cccc(n1)F 34a_100000210227_100009819644 [0,1,0,0,0,0|3,0,0]=4 1869 B13R1.6 CCCCOCc1cccc(n1)F 7a_100000210227_100009819644 [0,1,0,0,0,0|3,0,0]=4 1870 B13R1.6 CCCCOCc1ccnc(c1)Br 34a_100000210227_100010243470 [0,1,0,0,0,0|3,0,0]=4 1871 B13R1.6 CCCCOCc1ccnc(c1)Br 34a_100009814636_100000210210 [0,1,0,0,0,0|3,0,0]=4 1872 B13R1.6 CCCCOCc1ccnc(c1)Br 7a_100000210227_100010254460 [0,1,0,0,0,0|3,0,0]=4 1873 B13R1.6 CCCCOCc1ccnc(c1)Br 7a_100009814636_100000210211 [0,1,0,0,0,0|3,0,0]=4 1874 B13R1.6 CCCCOCc1ccnc(c1)C 34a_100000210227_200020672517 [0,1,0,0,0,0|3,0,0]=4 1875 B13R1.6 CCCCOCc1ccnc(c1)C 34a_100011998630_100000210210 [0,1,0,0,0,0|3,0,0]=4 1876 B13R1.6 CCCCOCc1ccnc(c1)C 7a_100000210227_200020672517 [0,1,0,0,0,0|3,0,0]=4 1877 B13R1.6 CCCCOCc1ccnc(c1)Cl 34a_100000210227_100000764220 [0,1,0,0,0,0|3,0,0]=4 1878 B13R1.6 CCCCOCc1ccnc(c1)Cl 34a_100000748751_100000210210 [0,1,0,0,0,0|3,0,0]=4 1879 B13R1.6 CCCCOCc1ccnc(c1)Cl 7a_100000210227_100000764220 [0,1,0,0,0,0|3,0,0]=4 1880 B13R1.6 CCCCOCc1ccnc(c1)F 34a_100000082451_100000210210 [0,1,0,0,0,0|3,0,0]=4 1881 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100000210227_100000738771 [0,1,0,0,0,0|3,0,0]=4 1882 B13R1.6 CCCCOCc1cncc(c1)Br 34a_100011259137_100000210210 [0,1,0,0,0,0|3,0,0]=4 1883 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100000210227_100000738771 [0,1,0,0,0,0|3,0,0]=4 1884 B13R1.6 CCCCOCc1cncc(c1)Br 7a_100011259137_100000210211 [0,1,0,0,0,0|3,0,0]=4 1885 B13R1.6 CCCCOCc1cncc(c1)C 34a_100000210227_100000716715 [0,1,0,0,0,0|3,0,0]=4 1886 B13R1.6 CCCCOCc1cncc(c1)C 34a_100011998709_100000210210 [0,1,0,0,0,0|3,0,0]=4 1887 B13R1.6 CCCCOCc1cncc(c1)C 7a_100000210227_100000716715 [0,1,0,0,0,0|3,0,0]=4 1888 B13R1.6 CCCCOCc1cncc(c1)C 7a_100011998709_100000210211 [0,1,0,0,0,0|3,0,0]=4 1889 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000092867_100000210210 [0,1,0,0,0,0|3,0,0]=4 1890 B13R1.6 CCCCOCc1cncc(c1)Cl 34a_100000210227_100016992070 [0,1,0,0,0,0|3,0,0]=4 1891 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000092867_100000210211 [0,1,0,0,0,0|3,0,0]=4 1892 B13R1.6 CCCCOCc1cncc(c1)Cl 7a_100000210227_100016992070 [0,1,0,0,0,0|3,0,0]=4 1893 B13R1.6 CCCCOCc1cncc(c1)F 34a_100000210227_100000725299 [0,1,0,0,0,0|3,0,0]=4 1894 B13R1.6 CCCCOCc1cncc(c1)F 34a_100011962875_100000210210 [0,1,0,0,0,0|3,0,0]=4 1895 B13R1.6 CCCCOCc1cncc(c1)F 7a_100000210227_100000725299 [0,1,0,0,0,0|3,0,0]=4 1896 B13R1.6 CCCCOCc1cncc(c1)F 7a_100011962875_100000210211 [0,1,0,0,0,0|3,0,0]=4 1897 B13R1.6 CCCCOCc1cncc(c1)N 34a_100000085308_100000210210 [0,1,0,0,0,0|3,0,0]=4 1898 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100000210211_100010173614 [0,1,0,0,0,0|3,0,0]=4 1899 B13R1.6 CCCCSCc1cc(ccn1)Br 62a_100010173614_100000210210 [0,1,0,0,0,0|3,0,0]=4 1900 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000210211_100000718516 [0,1,0,0,0,0|3,0,0]=4 1901 B13R1.6 CCCCSCc1cc(ccn1)C 62a_100000718516_100000210210 [0,1,0,0,0,0|3,0,0]=4 1902 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100000210211_100016988179 [0,1,0,0,0,0|3,0,0]=4 1903 B13R1.6 CCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210210 [0,1,0,0,0,0|3,0,0]=4 1904 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000210211_100000211773 [0,1,0,0,0,0|2,0,0]=3 1905 B13R1.6 CCCCSCc1cccc(c1)Br 62a_100000211773_100000210210 [0,1,0,0,0,0|2,0,0]=3 1906 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000210211_100000211840 [0,1,0,0,0,0|2,0,0]=3 1907 B13R1.6 CCCCSCc1cccc(c1)C 62a_100000211840_100000210210 [0,1,0,0,0,0|2,0,0]=3 1908 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000187163_100000210210 [0,1,0,0,0,0|2,0,0]=3 1909 B13R1.6 CCCCSCc1cccc(c1)Cl 62a_100000210211_100000187163 [0,1,0,0,0,0|2,0,0]=3 1910 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000210211_100000230114 [0,1,0,0,0,0|2,0,0]=3 1911 B13R1.6 CCCCSCc1cccc(c1)F 62a_100000230114_100000210210 [0,1,0,0,0,0|2,0,0]=3 1912 B13R1.6 CCCCSCc1cccc(c1)I 62a_100000210211_100011218688 [0,1,0,0,0,0|2,0,0]=3 1913 B13R1.6 CCCCSCc1cccc(c1)I 62a_100011218688_100000210210 [0,1,0,0,0,0|2,0,0]=3 1914 B13R1.6 CCCCSCc1cccc(c1)O 62a_100000210211_100011660834 [0,1,0,0,0,0|2,0,0]=3 1915 B13R1.6 CCCCSCc1cccc(c1)O 62a_100011660834_100000210210 [0,1,0,0,0,0|2,0,0]=3 1916 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100000210211_100009889011 [0,1,0,0,0,0|3,0,0]=4 1917 B13R1.6 CCCCSCc1cccc(n1)Br 62a_100009889011_100000210210 [0,1,0,0,0,0|3,0,0]=4 1918 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000210211_100000757606 [0,1,0,0,0,0|3,0,0]=4 1919 B13R1.6 CCCCSCc1cccc(n1)C 62a_100000757606_100000210210 [0,1,0,0,0,0|3,0,0]=4 1920 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000086093_100000210210 [0,1,0,0,0,0|3,0,0]=4 1921 B13R1.6 CCCCSCc1cccc(n1)Cl 62a_100000210211_100000086093 [0,1,0,0,0,0|3,0,0]=4 1922 B13R1.6 CCCCSCc1cccc(n1)F 62a_100000210211_100009819644 [0,1,0,0,0,0|3,0,0]=4 1923 B13R1.6 CCCCSCc1cccc(n1)F 62a_100009819644_100000210210 [0,1,0,0,0,0|3,0,0]=4 1924 B13R1.6 CCCCSCc1ccnc(c1)Br 62a_100000210211_100010243470 [0,1,0,0,0,0|3,0,0]=4 1925 B13R1.6 CCCCSCc1ccnc(c1)Br 62a_100010254460_100000210210 [0,1,0,0,0,0|3,0,0]=4 1926 B13R1.6 CCCCSCc1ccnc(c1)C 62a_100000210211_200020672517 [0,1,0,0,0,0|3,0,0]=4 1927 B13R1.6 CCCCSCc1ccnc(c1)C 62a_200020672517_100000210210 [0,1,0,0,0,0|3,0,0]=4 1928 B13R1.6 CCCCSCc1ccnc(c1)Cl 62a_100000210211_100000764220 [0,1,0,0,0,0|3,0,0]=4 1929 B13R1.6 CCCCSCc1ccnc(c1)Cl 62a_100000764220_100000210210 [0,1,0,0,0,0|3,0,0]=4 1930 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000210211_100000738771 [0,1,0,0,0,0|3,0,0]=4 1931 B13R1.6 CCCCSCc1cncc(c1)Br 62a_100000738771_100000210210 [0,1,0,0,0,0|3,0,0]=4 1932 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000210211_100000716715 [0,1,0,0,0,0|3,0,0]=4 1933 B13R1.6 CCCCSCc1cncc(c1)C 62a_100000716715_100000210210 [0,1,0,0,0,0|3,0,0]=4 1934 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100000210211_100016992070 [0,1,0,0,0,0|3,0,0]=4 1935 B13R1.6 CCCCSCc1cncc(c1)Cl 62a_100016992070_100000210210 [0,1,0,0,0,0|3,0,0]=4 1936 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000210211_100000725299 [0,1,0,0,0,0|3,0,0]=4 1937 B13R1.6 CCCCSCc1cncc(c1)F 62a_100000725299_100000210210 [0,1,0,0,0,0|3,0,0]=4 1938 B13R1.6 CCCNCCc1cccc(c1)Br 2230a_100011207229_100000210303 [0,1,0,0,0,0|2,0,0]=3 1939 B13R1.6 CCCNCCc1cccc(c1)Br 34a_100011207229_100000210303 [0,1,0,0,0,0|2,0,0]=3 1940 B13R1.6 CCCNCCc1cccc(c1)C 2230a_100000749837_100000210303 [0,1,0,0,0,0|2,0,0]=3 1941 B13R1.6 CCCNCCc1cccc(c1)C 34a_100000749837_100000210303 [0,1,0,0,0,0|2,0,0]=3 1942 B13R1.6 CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210303 [0,1,0,0,0,0|2,0,0]=3 1943 B13R1.6 CCCNCCc1cccc(c1)Cl 34a_100000185263_100000210303 [0,1,0,0,0,0|2,0,0]=3 1944 B13R1.6 CCCNCCc1cccc(c1)F 2230a_100000205154_100000210303 [0,1,0,0,0,0|2,0,0]=3 1945 B13R1.6 CCCNCCc1cccc(c1)F 34a_100000205154_100000210303 [0,1,0,0,0,0|2,0,0]=3 1946 B13R1.6 CCCNCCc1cccc(c1)O 2230a_100000747277_100000210303 [0,1,0,0,0,0|2,0,0]=3 1947 B13R1.6 CCCNCCc1cccc(c1)O 34a_100000747277_100000210303 [0,1,0,0,0,0|2,0,0]=3 1948 B13R1.6 CCCNCCc1cccc(n1)C 2230a_100011824523_100000210303 [0,1,0,0,0,0|3,0,0]=4 1949 B13R1.6 CCCNCCc1cccc(n1)C 34a_100011824523_100000210303 [0,1,0,0,0,0|3,0,0]=4 1950 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100000210258_100011740638 [0,1,0,0,0,0|2,0,0]=3 1951 B13R1.6 CCCOCCc1cccc(c1)Br 34a_100011217444_100000210303 [0,1,0,0,0,0|2,0,0]=3 1952 B13R1.6 CCCOCCc1cccc(c1)Br 7a_100011217444_100000210303 [0,1,0,0,0,0|2,0,0]=3 1953 B13R1.6 CCCOCCc1cccc(c1)C 34a_100000210258_100011713685 [0,1,0,0,0,0|2,0,0]=3 1954 B13R1.6 CCCOCCc1cccc(c1)C 34a_100011217157_100000210303 [0,1,0,0,0,0|2,0,0]=3 1955 B13R1.6 CCCOCCc1cccc(c1)C 7a_100011217157_100000210303 [0,1,0,0,0,0|2,0,0]=3 1956 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000210258_100011713710 [0,1,0,0,0,0|2,0,0]=3 1957 B13R1.6 CCCOCCc1cccc(c1)Cl 34a_100000754733_100000210303 [0,1,0,0,0,0|2,0,0]=3 1958 B13R1.6 CCCOCCc1cccc(c1)Cl 7a_100000754733_100000210303 [0,1,0,0,0,0|2,0,0]=3 1959 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000210258_100011217235 [0,1,0,0,0,0|2,0,0]=3 1960 B13R1.6 CCCOCCc1cccc(c1)F 34a_100000763591_100000210303 [0,1,0,0,0,0|2,0,0]=3 1961 B13R1.6 CCCOCCc1cccc(c1)F 7a_100000763591_100000210303 [0,1,0,0,0,0|2,0,0]=3 1962 B13R1.6 CCCOCCc1cccc(c1)N 34a_100011996697_100000210303 [0,1,0,0,0,0|2,0,0]=3 1963 B13R1.6 CCCOCCc1cccc(n1)Br 34a_100010221043_100000210303 [0,1,0,0,0,0|3,0,0]=4 1964 B13R1.6 CCCOCCc1cccc(n1)Br 7a_100010221043_100000210303 [0,1,0,0,0,0|3,0,0]=4 1965 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100000210303_100011740638 [0,1,0,0,0,0|2,0,0]=3 1966 B13R1.6 CCCSCCc1cccc(c1)Br 62a_100011740638_100000210303 [0,1,0,0,0,0|2,0,0]=3 1967 B13R1.6 CCCSCCc1cccc(c1)C 62a_100000210303_100011713685 [0,1,0,0,0,0|2,0,0]=3 1968 B13R1.6 CCCSCCc1cccc(c1)C 62a_100011713685_100000210303 [0,1,0,0,0,0|2,0,0]=3 1969 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100000210303_100011713710 [0,1,0,0,0,0|2,0,0]=3 1970 B13R1.6 CCCSCCc1cccc(c1)Cl 62a_100011713710_100000210303 [0,1,0,0,0,0|2,0,0]=3 1971 B13R1.6 CCCSCCc1cccc(c1)F 62a_100000210303_100011217235 [0,1,0,0,0,0|2,0,0]=3 1972 B13R1.6 CCCSCCc1cccc(c1)F 62a_100011217235_100000210303 [0,1,0,0,0,0|2,0,0]=3 1973 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100000753791_100000210202 [0,1,0,0,0,0|2,0,0]=3 1974 B13R1.6 CCNCCCc1cccc(c1)Br 2230a_100015525214_100011713683 [0,1,0,0,0,0|2,0,0]=3 1975 B13R1.6 CCNCCCc1cccc(c1)Br 34a_100000753791_100000210202 [0,1,0,0,0,0|2,0,0]=3 1976 B13R1.6 CCNCCCc1cccc(c1)C 2230a_103496528808_100000210202 [0,1,0,0,0,0|2,0,0]=3 1977 B13R1.6 CCNCCCc1cccc(c1)C 34a_103496528808_100000210202 [0,1,0,0,0,0|2,0,0]=3 1978 B13R1.6 CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210202 [0,1,0,0,0,0|2,0,0]=3 1979 B13R1.6 CCNCCCc1cccc(c1)Cl 34a_100000704586_100000210202 [0,1,0,0,0,0|2,0,0]=3 1980 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100000754185_100000210202 [0,1,0,0,0,0|2,0,0]=3 1981 B13R1.6 CCNCCCc1cccc(c1)F 2230a_100015525214_200000698031 [0,1,0,0,0,0|2,0,0]=3 1982 B13R1.6 CCNCCCc1cccc(c1)F 34a_100000754185_100000210202 [0,1,0,0,0,0|2,0,0]=3 1983 B13R1.6 CCNCCOc1cccc(c1)Br 2230a_100000743521_100000210202 [0,1,0,0,0,0|3,0,0]=4 1984 B13R1.6 CCNCCOc1cccc(c1)Br 2230a_100015525214_100000183150 [0,1,0,0,0,0|3,0,0]=4 1985 B13R1.6 CCNCCOc1cccc(c1)Br 34a_100000743521_100000210202 [0,1,0,0,0,0|3,0,0]=4 1986 B13R1.6 CCNCCOc1cccc(c1)C 2230a_100015185188_100000210202 [0,1,0,0,0,0|3,0,0]=4 1987 B13R1.6 CCNCCOc1cccc(c1)C 34a_100015185188_100000210202 [0,1,0,0,0,0|3,0,0]=4 1988 B13R1.6 CCNCCOc1cccc(c1)Cl 2230a_100000740232_100000210202 [0,1,0,0,0,0|3,0,0]=4 1989 B13R1.6 CCNCCOc1cccc(c1)Cl 2230a_100015525214_100000181161 [0,1,0,0,0,0|3,0,0]=4 1990 B13R1.6 CCNCCOc1cccc(c1)Cl 34a_100000740232_100000210202 [0,1,0,0,0,0|3,0,0]=4 1991 B13R1.6 CCNCCOc1cccc(c1)F 2230a_100000738948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1992 B13R1.6 CCNCCOc1cccc(c1)F 2230a_100015525214_100000739188 [0,1,0,0,0,0|3,0,0]=4 1993 B13R1.6 CCNCCOc1cccc(c1)F 34a_100000738948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1994 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100011709248_100000210202 [0,1,0,0,0,0|2,0,0]=3 1995 B13R1.6 CCOCCCc1cccc(c1)Br 34a_100121572206_100011713683 [0,1,0,0,0,0|2,0,0]=3 1996 B13R1.6 CCOCCCc1cccc(c1)Br 7a_100011709248_100000210202 [0,1,0,0,0,0|2,0,0]=3 1997 B13R1.6 CCOCCCc1cccc(c1)Cl 34a_100011709246_100000210202 [0,1,0,0,0,0|2,0,0]=3 1998 B13R1.6 CCOCCCc1cccc(c1)Cl 7a_100011709246_100000210202 [0,1,0,0,0,0|2,0,0]=3 1999 B13R1.6 CCOCCCc1cccc(c1)F 34a_100121572206_200000698031 [0,1,0,0,0,0|2,0,0]=3 2000 B13R1.6 CCOCCCc1cccc(c1)N 34a_200000698965_100000210202 [0,1,0,0,0,0|2,0,0]=3 2001 B13R1.6 CCOCCCc1cccc(c1)N 7a_200000698965_100000210202 [0,1,0,0,0,0|2,0,0]=3 2002 B13R1.6 CCOCCCc1cccc(n1)C 34a_100000211354_100000210202 [0,1,0,0,0,0|3,0,0]=4 2003 B13R1.6 CCOCCNc1cccc(c1)Br 34a_100000210019_100000210147 [0,1,0,0,0,0|3,0,0]=4 2004 B13R1.6 CCOCCNc1cccc(c1)C 2230a_100000188690_100011215890 [0,1,0,0,0,0|3,0,0]=4 2005 B13R1.6 CCOCCNc1cccc(c1)C 34a_100000188690_100000210147 [0,1,0,0,0,0|3,0,0]=4 2006 B13R1.6 CCOCCNc1cccc(c1)Cl 34a_100000185859_100000210147 [0,1,0,0,0,0|3,0,0]=4 2007 B13R1.6 CCOCCNc1cccc(c1)F 34a_100000210047_100000210147 [0,1,0,0,0,0|3,0,0]=4 2008 B13R1.6 CCOCCNc1cccc(c1)I 34a_100000211102_100000210147 [0,1,0,0,0,0|3,0,0]=4 2009 B13R1.6 CCOCCNc1cccc(c1)O 34a_100000210217_100000210147 [0,1,0,0,0,0|3,0,0]=4 2010 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100000210342_100000210147 [0,1,0,0,0,0|3,0,0]=4 2011 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100000757546_100000210202 [0,1,0,0,0,0|3,0,0]=4 2012 B13R1.6 CCOCCOc1cccc(c1)Br 34a_100121572206_100000183150 [0,1,0,0,0,0|3,0,0]=4 2013 B13R1.6 CCOCCOc1cccc(c1)Br 7a_100000210342_100011215890 [0,1,0,0,0,0|3,0,0]=4 2014 B13R1.6 CCOCCOc1cccc(c1)Br 7a_100000757546_100000210202 [0,1,0,0,0,0|3,0,0]=4 2015 B13R1.6 CCOCCOc1cccc(c1)C 34a_100000210337_100000210147 [0,1,0,0,0,0|3,0,0]=4 2016 B13R1.6 CCOCCOc1cccc(c1)C 34a_200011215094_100000210202 [0,1,0,0,0,0|3,0,0]=4 2017 B13R1.6 CCOCCOc1cccc(c1)C 7a_100000210337_100011215890 [0,1,0,0,0,0|3,0,0]=4 2018 B13R1.6 CCOCCOc1cccc(c1)C 7a_200011215094_100000210202 [0,1,0,0,0,0|3,0,0]=4 2019 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100000210295_100000210147 [0,1,0,0,0,0|3,0,0]=4 2020 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100000230539_100000210202 [0,1,0,0,0,0|3,0,0]=4 2021 B13R1.6 CCOCCOc1cccc(c1)Cl 34a_100121572206_100000181161 [0,1,0,0,0,0|3,0,0]=4 2022 B13R1.6 CCOCCOc1cccc(c1)Cl 7a_100000210295_100011215890 [0,1,0,0,0,0|3,0,0]=4 2023 B13R1.6 CCOCCOc1cccc(c1)Cl 7a_100000230539_100000210202 [0,1,0,0,0,0|3,0,0]=4 2024 B13R1.6 CCOCCOc1cccc(c1)F 34a_100000210426_100000210147 [0,1,0,0,0,0|3,0,0]=4 2025 B13R1.6 CCOCCOc1cccc(c1)F 34a_100121572206_100000739188 [0,1,0,0,0,0|3,0,0]=4 2026 B13R1.6 CCOCCOc1cccc(c1)F 7a_100000210426_100011215890 [0,1,0,0,0,0|3,0,0]=4 2027 B13R1.6 CCOCCOc1cccc(c1)I 34a_100000211634_100000210147 [0,1,0,0,0,0|3,0,0]=4 2028 B13R1.6 CCOCCOc1cccc(c1)I 7a_100000211634_100011215890 [0,1,0,0,0,0|3,0,0]=4 2029 B13R1.6 CCOCCOc1cccc(c1)N 34a_100000210217_100000210147 [0,1,0,0,0,0|3,0,0]=4 2030 B13R1.6 CCOCCOc1cccc(c1)N 34a_100011232151_100000210202 [0,1,0,0,0,0|3,0,0]=4 2031 B13R1.6 CCOCCSc1cccc(c1)Br 62a_100000210147_100000691529 [0,1,0,0,0,0|3,0,0]=4 2032 B13R1.6 CCOCCSc1cccc(c1)Br 62a_100000691529_100011215890 [0,1,0,0,0,0|3,0,0]=4 2033 B13R1.6 CCOCCSc1cccc(c1)Br 7a_200011756134_100000210202 [0,1,0,0,0,0|3,0,0]=4 2034 B13R1.6 CCOCCSc1cccc(c1)C 34a_200011432187_100000210202 [0,1,0,0,0,0|3,0,0]=4 2035 B13R1.6 CCOCCSc1cccc(c1)C 62a_100000210147_100011215228 [0,1,0,0,0,0|3,0,0]=4 2036 B13R1.6 CCOCCSc1cccc(c1)C 62a_100011215228_100011215890 [0,1,0,0,0,0|3,0,0]=4 2037 B13R1.6 CCOCCSc1cccc(c1)C 7a_200011432187_100000210202 [0,1,0,0,0,0|3,0,0]=4 2038 B13R1.6 CCOCCSc1cccc(c1)Cl 34a_200011721761_100000210202 [0,1,0,0,0,0|3,0,0]=4 2039 B13R1.6 CCOCCSc1cccc(c1)Cl 62a_100000210147_100000699651 [0,1,0,0,0,0|3,0,0]=4 2040 B13R1.6 CCOCCSc1cccc(c1)Cl 62a_100000699651_100011215890 [0,1,0,0,0,0|3,0,0]=4 2041 B13R1.6 CCOCCSc1cccc(c1)Cl 7a_200011721761_100000210202 [0,1,0,0,0,0|3,0,0]=4 2042 B13R1.6 CCOCCSc1cccc(c1)F 34a_200011996949_100000210202 [0,1,0,0,0,0|3,0,0]=4 2043 B13R1.6 CCOCCSc1cccc(c1)F 62a_100000210147_100000685547 [0,1,0,0,0,0|3,0,0]=4 2044 B13R1.6 CCOCCSc1cccc(c1)F 62a_100000685547_100011215890 [0,1,0,0,0,0|3,0,0]=4 2045 B13R1.6 CCOCCSc1cccc(c1)F 7a_200011996949_100000210202 [0,1,0,0,0,0|3,0,0]=4 2046 B13R1.6 CCOCCSc1cccc(c1)N 62a_100000210019_100011215890 [0,1,0,0,0,0|3,0,0]=4 2047 B13R1.6 CCOCCSc1cccc(c1)N 62a_100000210147_100000210019 [0,1,0,0,0,0|3,0,0]=4 2048 B13R1.6 CCOCCSc1cccc(c1)O 62a_100000210147_100000211634 [0,1,0,0,0,0|3,0,0]=4 2049 B13R1.6 CCOCCSc1cccc(c1)[S] 62a_100000210147_114929384022 [0,1,0,0,0,0|3,0,0]=4 2050 B13R1.6 CCOCCSc1cccc(c1)[S] 62a_114929384022_100011215890 [0,1,0,0,0,0|3,0,0]=4 2051 B13R1.6 CCOCSCc1cccc(c1)Br 62a_100000211773_100000739092 [0,1,0,0,0,0|3,0,0]=4 2052 B13R1.6 CCOCSCc1cccc(c1)Br 62a_100000739092_100000211773 [0,1,0,0,0,0|3,0,0]=4 2053 B13R1.6 CCOCSCc1cccc(c1)C 62a_100000211840_100000739092 [0,1,0,0,0,0|3,0,0]=4 2054 B13R1.6 CCOCSCc1cccc(c1)C 62a_100000739092_100000211840 [0,1,0,0,0,0|3,0,0]=4 2055 B13R1.6 CCOCSCc1cccc(c1)Cl 62a_100000187163_100000739092 [0,1,0,0,0,0|3,0,0]=4 2056 B13R1.6 CCOCSCc1cccc(c1)Cl 62a_100000739092_100000187163 [0,1,0,0,0,0|3,0,0]=4 2057 B13R1.6 CCOCSCc1cccc(c1)F 62a_100000230114_100000739092 [0,1,0,0,0,0|3,0,0]=4 2058 B13R1.6 CCOCSCc1cccc(c1)F 62a_100000739092_100000230114 [0,1,0,0,0,0|3,0,0]=4 2059 B13R1.6 CCOCSCc1cccc(c1)I 62a_100000739092_100011218688 [0,1,0,0,0,0|3,0,0]=4 2060 B13R1.6 CCOCSCc1cccc(c1)I 62a_100011218688_100000739092 [0,1,0,0,0,0|3,0,0]=4 2061 B13R1.6 CCOCSCc1cccc(c1)O 62a_100000739092_100011660834 [0,1,0,0,0,0|3,0,0]=4 2062 B13R1.6 CCOCSCc1cccc(c1)O 62a_100011660834_100000739092 [0,1,0,0,0,0|3,0,0]=4 2063 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100000210202_100011713683 [0,1,0,0,0,0|2,0,0]=3 2064 B13R1.6 CCSCCCc1cccc(c1)Br 62a_100011713683_100000210202 [0,1,0,0,0,0|2,0,0]=3 2065 B13R1.6 CCSCCCc1cccc(c1)F 62a_100000210202_200000698031 [0,1,0,0,0,0|2,0,0]=3 2066 B13R1.6 CCSCCCc1cccc(c1)F 62a_200000698031_100000210202 [0,1,0,0,0,0|2,0,0]=3 2067 B13R1.6 CCSCCNc1cccc(c1)Br 34a_100000210019_100000757381 [0,1,0,0,0,0|3,0,0]=4 2068 B13R1.6 CCSCCNc1cccc(c1)C 2230a_100000188690_100000757381 [0,1,0,0,0,0|3,0,0]=4 2069 B13R1.6 CCSCCNc1cccc(c1)C 34a_100000188690_100000757381 [0,1,0,0,0,0|3,0,0]=4 2070 B13R1.6 CCSCCNc1cccc(c1)Cl 34a_100000185859_100000757381 [0,1,0,0,0,0|3,0,0]=4 2071 B13R1.6 CCSCCNc1cccc(c1)F 34a_100000210047_100000757381 [0,1,0,0,0,0|3,0,0]=4 2072 B13R1.6 CCSCCNc1cccc(c1)I 34a_100000211102_100000757381 [0,1,0,0,0,0|3,0,0]=4 2073 B13R1.6 CCSCCNc1cccc(c1)O 34a_100000210217_100000757381 [0,1,0,0,0,0|3,0,0]=4 2074 B13R1.6 CCSCCOc1cccc(c1)Br 34a_100000210342_100000757381 [0,1,0,0,0,0|3,0,0]=4 2075 B13R1.6 CCSCCOc1cccc(c1)Br 62a_100000183150_100000210202 [0,1,0,0,0,0|3,0,0]=4 2076 B13R1.6 CCSCCOc1cccc(c1)Br 62a_100000210202_100000183150 [0,1,0,0,0,0|3,0,0]=4 2077 B13R1.6 CCSCCOc1cccc(c1)Br 7a_100000210342_100000757381 [0,1,0,0,0,0|3,0,0]=4 2078 B13R1.6 CCSCCOc1cccc(c1)C 34a_100000210337_100000757381 [0,1,0,0,0,0|3,0,0]=4 2079 B13R1.6 CCSCCOc1cccc(c1)C 7a_100000210337_100000757381 [0,1,0,0,0,0|3,0,0]=4 2080 B13R1.6 CCSCCOc1cccc(c1)Cl 34a_100000210295_100000757381 [0,1,0,0,0,0|3,0,0]=4 2081 B13R1.6 CCSCCOc1cccc(c1)Cl 62a_100000181161_100000210202 [0,1,0,0,0,0|3,0,0]=4 2082 B13R1.6 CCSCCOc1cccc(c1)Cl 62a_100000210202_100000181161 [0,1,0,0,0,0|3,0,0]=4 2083 B13R1.6 CCSCCOc1cccc(c1)Cl 7a_100000210295_100000757381 [0,1,0,0,0,0|3,0,0]=4 2084 B13R1.6 CCSCCOc1cccc(c1)F 34a_100000210426_100000757381 [0,1,0,0,0,0|3,0,0]=4 2085 B13R1.6 CCSCCOc1cccc(c1)F 62a_100000210202_100000739188 [0,1,0,0,0,0|3,0,0]=4 2086 B13R1.6 CCSCCOc1cccc(c1)F 62a_100000739188_100000210202 [0,1,0,0,0,0|3,0,0]=4 2087 B13R1.6 CCSCCOc1cccc(c1)F 7a_100000210426_100000757381 [0,1,0,0,0,0|3,0,0]=4 2088 B13R1.6 CCSCCOc1cccc(c1)I 34a_100000211634_100000757381 [0,1,0,0,0,0|3,0,0]=4 2089 B13R1.6 CCSCCOc1cccc(c1)I 7a_100000211634_100000757381 [0,1,0,0,0,0|3,0,0]=4 2090 B13R1.6 CCSCCOc1cccc(c1)N 34a_100000210217_100000757381 [0,1,0,0,0,0|3,0,0]=4 2091 B13R1.6 CCSCCSc1cccc(c1)Br 62a_100000691529_100000757381 [0,1,0,0,0,0|3,0,0]=4 2092 B13R1.6 CCSCCSc1cccc(c1)Br 62a_100000757381_100000691529 [0,1,0,0,0,0|3,0,0]=4 2093 B13R1.6 CCSCCSc1cccc(c1)C 62a_100000757381_100011215228 [0,1,0,0,0,0|3,0,0]=4 2094 B13R1.6 CCSCCSc1cccc(c1)C 62a_100011215228_100000757381 [0,1,0,0,0,0|3,0,0]=4 2095 B13R1.6 CCSCCSc1cccc(c1)Cl 62a_100000699651_100000757381 [0,1,0,0,0,0|3,0,0]=4 2096 B13R1.6 CCSCCSc1cccc(c1)Cl 62a_100000757381_100000699651 [0,1,0,0,0,0|3,0,0]=4 2097 B13R1.6 CCSCCSc1cccc(c1)F 62a_100000685547_100000757381 [0,1,0,0,0,0|3,0,0]=4 2098 B13R1.6 CCSCCSc1cccc(c1)F 62a_100000757381_100000685547 [0,1,0,0,0,0|3,0,0]=4 2099 B13R1.6 CCSCCSc1cccc(c1)N 62a_100000210019_100000757381 [0,1,0,0,0,0|3,0,0]=4 2100 B13R1.6 CCSCCSc1cccc(c1)N 62a_100000757381_100000210019 [0,1,0,0,0,0|3,0,0]=4 2101 B13R1.6 CCSCCSc1cccc(c1)O 62a_100000757381_100000211634 [0,1,0,0,0,0|3,0,0]=4 2102 B13R1.6 CCSCCSc1cccc(c1)[S] 62a_100000757381_114929384022 [0,1,0,0,0,0|3,0,0]=4 2103 B13R1.6 CCSCCSc1cccc(c1)[S] 62a_114929384022_100000757381 [0,1,0,0,0,0|3,0,0]=4 2104 B13R1.6 CNCCCOc1cccc(c1)C 2230a_106832991635_100000212303 [0,1,0,0,0,0|3,0,0]=4 2105 B13R1.6 CNCCCOc1cccc(c1)C 34a_100102657272_100000212303 [0,1,0,0,0,0|3,0,0]=4 2106 B13R1.6 CNCCCOc1cccc(c1)C 7a_106832991635_100000212303 [0,1,0,0,0,0|3,0,0]=4 2107 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_100011220311_200000210301 [0,1,0,0,0,0|3,0,0]=4 2108 B13R1.6 CNCCCOc1cccc(c1)Cl 2230a_106832991635_100000742658 [0,1,0,0,0,0|3,0,0]=4 2109 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100011220311_200000210301 [0,1,0,0,0,0|3,0,0]=4 2110 B13R1.6 CNCCCOc1cccc(c1)Cl 34a_100102657272_100000742658 [0,1,0,0,0,0|3,0,0]=4 2111 B13R1.6 CNCCCOc1cccc(c1)Cl 7a_106832991635_100000742658 [0,1,0,0,0,0|3,0,0]=4 2112 B13R1.6 CNCCCOc1cccc(c1)F 2230a_100102661586_200000210301 [0,1,0,0,0,0|3,0,0]=4 2113 B13R1.6 CNCCCOc1cccc(c1)F 34a_100102661586_200000210301 [0,1,0,0,0,0|3,0,0]=4 2114 B13R1.6 CNCCSCc1cccc(c1)Cl 2230a_200011225440_200000210301 [0,1,0,0,0,0|3,0,0]=4 2115 B13R1.6 CNCCSCc1cccc(c1)Cl 34a_200011225440_200000210301 [0,1,0,0,0,0|3,0,0]=4 2116 B13R1.6 CNCCSCc1cccc(c1)Cl 7a_200011225440_200000210301 [0,1,0,0,0,0|3,0,0]=4 2117 B13R1.6 COCCCNc1cccc(c1)Br 34a_100000210019_100000740836 [0,1,0,0,0,0|3,0,0]=4 2118 B13R1.6 COCCCNc1cccc(c1)C 2230a_100000188690_100000740836 [0,1,0,0,0,0|3,0,0]=4 2119 B13R1.6 COCCCNc1cccc(c1)C 34a_100000188690_100000740836 [0,1,0,0,0,0|3,0,0]=4 2120 B13R1.6 COCCCNc1cccc(c1)Cl 34a_100000185859_100000740836 [0,1,0,0,0,0|3,0,0]=4 2121 B13R1.6 COCCCNc1cccc(c1)F 34a_100000210047_100000740836 [0,1,0,0,0,0|3,0,0]=4 2122 B13R1.6 COCCCNc1cccc(c1)I 34a_100000211102_100000740836 [0,1,0,0,0,0|3,0,0]=4 2123 B13R1.6 COCCCNc1cccc(c1)O 34a_100000210217_100000740836 [0,1,0,0,0,0|3,0,0]=4 2124 B13R1.6 COCCCOc1cccc(c1)Br 34a_100000210342_100000740836 [0,1,0,0,0,0|3,0,0]=4 2125 B13R1.6 COCCCOc1cccc(c1)Br 7a_100000210342_100000740836 [0,1,0,0,0,0|3,0,0]=4 2126 B13R1.6 COCCCOc1cccc(c1)C 34a_100000210337_100000740836 [0,1,0,0,0,0|3,0,0]=4 2127 B13R1.6 COCCCOc1cccc(c1)C 34a_100138415774_100000212303 [0,1,0,0,0,0|3,0,0]=4 2128 B13R1.6 COCCCOc1cccc(c1)C 7a_100000210337_100000740836 [0,1,0,0,0,0|3,0,0]=4 2129 B13R1.6 COCCCOc1cccc(c1)Cl 34a_100000210295_100000740836 [0,1,0,0,0,0|3,0,0]=4 2130 B13R1.6 COCCCOc1cccc(c1)Cl 34a_100138415774_100000742658 [0,1,0,0,0,0|3,0,0]=4 2131 B13R1.6 COCCCOc1cccc(c1)Cl 7a_100000210295_100000740836 [0,1,0,0,0,0|3,0,0]=4 2132 B13R1.6 COCCCOc1cccc(c1)F 34a_100000210426_100000740836 [0,1,0,0,0,0|3,0,0]=4 2133 B13R1.6 COCCCOc1cccc(c1)F 34a_200011305857_200000210301 [0,1,0,0,0,0|3,0,0]=4 2134 B13R1.6 COCCCOc1cccc(c1)F 7a_100000210426_100000740836 [0,1,0,0,0,0|3,0,0]=4 2135 B13R1.6 COCCCOc1cccc(c1)F 7a_200011305857_200000210301 [0,1,0,0,0,0|3,0,0]=4 2136 B13R1.6 COCCCOc1cccc(c1)I 34a_100000211634_100000740836 [0,1,0,0,0,0|3,0,0]=4 2137 B13R1.6 COCCCOc1cccc(c1)I 7a_100000211634_100000740836 [0,1,0,0,0,0|3,0,0]=4 2138 B13R1.6 COCCCOc1cccc(c1)N 34a_100000210217_100000740836 [0,1,0,0,0,0|3,0,0]=4 2139 B13R1.6 COCCCSc1cccc(c1)Br 62a_100000691529_100000709357 [0,1,0,0,0,0|3,0,0]=4 2140 B13R1.6 COCCCSc1cccc(c1)Br 62a_100000709357_100000691529 [0,1,0,0,0,0|3,0,0]=4 2141 B13R1.6 COCCCSc1cccc(c1)C 62a_100000709357_100011215228 [0,1,0,0,0,0|3,0,0]=4 2142 B13R1.6 COCCCSc1cccc(c1)C 62a_100011215228_100000709357 [0,1,0,0,0,0|3,0,0]=4 2143 B13R1.6 COCCCSc1cccc(c1)Cl 62a_100000699651_100000709357 [0,1,0,0,0,0|3,0,0]=4 2144 B13R1.6 COCCCSc1cccc(c1)Cl 62a_100000709357_100000699651 [0,1,0,0,0,0|3,0,0]=4 2145 B13R1.6 COCCCSc1cccc(c1)F 62a_100000685547_100000709357 [0,1,0,0,0,0|3,0,0]=4 2146 B13R1.6 COCCCSc1cccc(c1)F 62a_100000709357_100000685547 [0,1,0,0,0,0|3,0,0]=4 2147 B13R1.6 COCCCSc1cccc(c1)N 62a_100000210019_100000709357 [0,1,0,0,0,0|3,0,0]=4 2148 B13R1.6 COCCCSc1cccc(c1)N 62a_100000709357_100000210019 [0,1,0,0,0,0|3,0,0]=4 2149 B13R1.6 COCCCSc1cccc(c1)O 62a_100000709357_100000211634 [0,1,0,0,0,0|3,0,0]=4 2150 B13R1.6 COCCCSc1cccc(c1)[S] 62a_100000709357_114929384022 [0,1,0,0,0,0|3,0,0]=4 2151 B13R1.6 COCCCSc1cccc(c1)[S] 62a_114929384022_100000709357 [0,1,0,0,0,0|3,0,0]=4 2152 B13R1.6 COCCNCc1cccc(c1)Br 207a_100000209980_100000210085 [0,1,0,0,0,0|3,0,0]=4 2153 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000174977_100011201679 [0,1,0,0,0,0|3,0,0]=4 2154 B13R1.6 COCCNCc1cccc(c1)Br 2230a_100000209980_100000698116 [0,1,0,0,0,0|3,0,0]=4 2155 B13R1.6 COCCNCc1cccc(c1)Br 270004a_100000209980_100000210085 [0,1,0,0,0,0|3,0,0]=4 2156 B13R1.6 COCCNCc1cccc(c1)Br 34a_100000174977_100011201679 [0,1,0,0,0,0|3,0,0]=4 2157 B13R1.6 COCCNCc1cccc(c1)C 207a_100000209980_100000211157 [0,1,0,0,0,0|3,0,0]=4 2158 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000185548_100011201679 [0,1,0,0,0,0|3,0,0]=4 2159 B13R1.6 COCCNCc1cccc(c1)C 2230a_100000209980_100000211840 [0,1,0,0,0,0|3,0,0]=4 2160 B13R1.6 COCCNCc1cccc(c1)C 270004a_100000209980_100000211157 [0,1,0,0,0,0|3,0,0]=4 2161 B13R1.6 COCCNCc1cccc(c1)C 34a_100000185548_100011201679 [0,1,0,0,0,0|3,0,0]=4 2162 B13R1.6 COCCNCc1cccc(c1)Cl 207a_100000209980_100000210801 [0,1,0,0,0,0|3,0,0]=4 2163 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000174878_100011201679 [0,1,0,0,0,0|3,0,0]=4 2164 B13R1.6 COCCNCc1cccc(c1)Cl 2230a_100000209980_100000181238 [0,1,0,0,0,0|3,0,0]=4 2165 B13R1.6 COCCNCc1cccc(c1)Cl 270004a_100000209980_100000210801 [0,1,0,0,0,0|3,0,0]=4 2166 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000174878_100011201679 [0,1,0,0,0,0|3,0,0]=4 2167 B13R1.6 COCCNCc1cccc(c1)Cl 34a_100000719050_200000210301 [0,1,0,0,0,0|3,0,0]=4 2168 B13R1.6 COCCNCc1cccc(c1)F 207a_100000209980_100000210812 [0,1,0,0,0,0|3,0,0]=4 2169 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000174948_100011201679 [0,1,0,0,0,0|3,0,0]=4 2170 B13R1.6 COCCNCc1cccc(c1)F 2230a_100000209980_100000230114 [0,1,0,0,0,0|3,0,0]=4 2171 B13R1.6 COCCNCc1cccc(c1)F 270004a_100000209980_100000210812 [0,1,0,0,0,0|3,0,0]=4 2172 B13R1.6 COCCNCc1cccc(c1)F 34a_100000174948_100011201679 [0,1,0,0,0,0|3,0,0]=4 2173 B13R1.6 COCCNCc1cccc(c1)I 207a_100000209980_100000014684 [0,1,0,0,0,0|3,0,0]=4 2174 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000106179_100011201679 [0,1,0,0,0,0|3,0,0]=4 2175 B13R1.6 COCCNCc1cccc(c1)I 2230a_100000209980_100011218688 [0,1,0,0,0,0|3,0,0]=4 2176 B13R1.6 COCCNCc1cccc(c1)I 270004a_100000209980_100000014684 [0,1,0,0,0,0|3,0,0]=4 2177 B13R1.6 COCCNCc1cccc(c1)I 34a_100000106179_100011201679 [0,1,0,0,0,0|3,0,0]=4 2178 B13R1.6 COCCNCc1cccc(c1)O 207a_100000209980_100000188321 [0,1,0,0,0,0|3,0,0]=4 2179 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000209980_100011660834 [0,1,0,0,0,0|3,0,0]=4 2180 B13R1.6 COCCNCc1cccc(c1)O 2230a_100000743036_100011201679 [0,1,0,0,0,0|3,0,0]=4 2181 B13R1.6 COCCNCc1cccc(c1)O 270004a_100000209980_100000188321 [0,1,0,0,0,0|3,0,0]=4 2182 B13R1.6 COCCNCc1cccc(c1)O 34a_100000743036_100011201679 [0,1,0,0,0,0|3,0,0]=4 2183 B13R1.6 COCCOCc1cccc(c1)Br 34a_100000210237_100000698116 [0,1,0,0,0,0|3,0,0]=4 2184 B13R1.6 COCCOCc1cccc(c1)Br 34a_100000687537_100011201679 [0,1,0,0,0,0|3,0,0]=4 2185 B13R1.6 COCCOCc1cccc(c1)Br 7a_100000687537_100000233755 [0,1,0,0,0,0|3,0,0]=4 2186 B13R1.6 COCCOCc1cccc(c1)C 34a_100000210237_100000211840 [0,1,0,0,0,0|3,0,0]=4 2187 B13R1.6 COCCOCc1cccc(c1)C 34a_100011217746_100011201679 [0,1,0,0,0,0|3,0,0]=4 2188 B13R1.6 COCCOCc1cccc(c1)C 7a_100011217746_100000233755 [0,1,0,0,0,0|3,0,0]=4 2189 B13R1.6 COCCOCc1cccc(c1)Cl 34a_100000210237_100000187163 [0,1,0,0,0,0|3,0,0]=4 2190 B13R1.6 COCCOCc1cccc(c1)Cl 34a_100000241301_100011201679 [0,1,0,0,0,0|3,0,0]=4 2191 B13R1.6 COCCOCc1cccc(c1)Cl 7a_100000241301_100000233755 [0,1,0,0,0,0|3,0,0]=4 2192 B13R1.6 COCCOCc1cccc(c1)F 34a_100000210237_100000187166 [0,1,0,0,0,0|3,0,0]=4 2193 B13R1.6 COCCOCc1cccc(c1)F 34a_100000210976_100011201679 [0,1,0,0,0,0|3,0,0]=4 2194 B13R1.6 COCCOCc1cccc(c1)F 7a_100000210976_100000233755 [0,1,0,0,0,0|3,0,0]=4 2195 B13R1.6 COCCOCc1cccc(c1)I 34a_100000210237_100011218688 [0,1,0,0,0,0|3,0,0]=4 2196 B13R1.6 COCCOCc1cccc(c1)I 34a_100011215336_100011201679 [0,1,0,0,0,0|3,0,0]=4 2197 B13R1.6 COCCOCc1cccc(c1)I 7a_100011215336_100000233755 [0,1,0,0,0,0|3,0,0]=4 2198 B13R1.6 COCCOCc1cccc(c1)N 34a_100000211919_100011201679 [0,1,0,0,0,0|3,0,0]=4 2199 B13R1.6 COCCOCc1cccc(c1)O 271570a_203496583355_100000692933 [0,1,0,0,0,0|3,0,0]=4 2200 B13R1.6 COCCOCc1cccc(c1)O 34a_100000210237_100011660834 [0,1,0,0,0,0|3,0,0]=4 2201 B13R1.6 COCCSCc1cccc(c1)Br 62a_100000211773_100000233755 [0,1,0,0,0,0|3,0,0]=4 2202 B13R1.6 COCCSCc1cccc(c1)Br 62a_100000233755_100000211773 [0,1,0,0,0,0|3,0,0]=4 2203 B13R1.6 COCCSCc1cccc(c1)C 34a_100011212950_200000210301 [0,1,0,0,0,0|3,0,0]=4 2204 B13R1.6 COCCSCc1cccc(c1)C 62a_100000211840_100000233755 [0,1,0,0,0,0|3,0,0]=4 2205 B13R1.6 COCCSCc1cccc(c1)C 62a_100000233755_100000211840 [0,1,0,0,0,0|3,0,0]=4 2206 B13R1.6 COCCSCc1cccc(c1)C 7a_100011212950_200000210301 [0,1,0,0,0,0|3,0,0]=4 2207 B13R1.6 COCCSCc1cccc(c1)Cl 62a_100000187163_100000233755 [0,1,0,0,0,0|3,0,0]=4 2208 B13R1.6 COCCSCc1cccc(c1)Cl 62a_100000233755_100000187163 [0,1,0,0,0,0|3,0,0]=4 2209 B13R1.6 COCCSCc1cccc(c1)F 34a_100011212928_200000210301 [0,1,0,0,0,0|3,0,0]=4 2210 B13R1.6 COCCSCc1cccc(c1)F 62a_100000230114_100000233755 [0,1,0,0,0,0|3,0,0]=4 2211 B13R1.6 COCCSCc1cccc(c1)F 62a_100000233755_100000230114 [0,1,0,0,0,0|3,0,0]=4 2212 B13R1.6 COCCSCc1cccc(c1)F 7a_100011212928_200000210301 [0,1,0,0,0,0|3,0,0]=4 2213 B13R1.6 COCCSCc1cccc(c1)I 62a_100000233755_100011218688 [0,1,0,0,0,0|3,0,0]=4 2214 B13R1.6 COCCSCc1cccc(c1)I 62a_100011218688_100000233755 [0,1,0,0,0,0|3,0,0]=4 2215 B13R1.6 COCCSCc1cccc(c1)O 62a_100000233755_100011660834 [0,1,0,0,0,0|3,0,0]=4 2216 B13R1.6 COCCSCc1cccc(c1)O 62a_100011660834_100000233755 [0,1,0,0,0,0|3,0,0]=4 2217 B13R1.6 COCNCCc1cccc(c1)Br 2230a_100011207229_100000766300 [0,1,0,0,0,0|3,0,0]=4 2218 B13R1.6 COCNCCc1cccc(c1)C 2230a_100000749837_100000766300 [0,1,0,0,0,0|3,0,0]=4 2219 B13R1.6 COCNCCc1cccc(c1)Cl 2230a_100000185263_100000766300 [0,1,0,0,0,0|3,0,0]=4 2220 B13R1.6 COCNCCc1cccc(c1)F 2230a_100000205154_100000766300 [0,1,0,0,0,0|3,0,0]=4 2221 B13R1.6 COCNCCc1cccc(c1)O 2230a_100000747277_100000766300 [0,1,0,0,0,0|3,0,0]=4 2222 B13R1.6 COCSCCc1cccc(c1)Br 62a_100000766300_100011740638 [0,1,0,0,0,0|3,0,0]=4 2223 B13R1.6 COCSCCc1cccc(c1)Br 62a_100011740638_100000766300 [0,1,0,0,0,0|3,0,0]=4 2224 B13R1.6 COCSCCc1cccc(c1)C 62a_100000766300_100011713685 [0,1,0,0,0,0|3,0,0]=4 2225 B13R1.6 COCSCCc1cccc(c1)C 62a_100011713685_100000766300 [0,1,0,0,0,0|3,0,0]=4 2226 B13R1.6 COCSCCc1cccc(c1)Cl 62a_100000766300_100011713710 [0,1,0,0,0,0|3,0,0]=4 2227 B13R1.6 COCSCCc1cccc(c1)Cl 62a_100011713710_100000766300 [0,1,0,0,0,0|3,0,0]=4 2228 B13R1.6 COCSCCc1cccc(c1)F 62a_100000766300_100011217235 [0,1,0,0,0,0|3,0,0]=4 2229 B13R1.6 COCSCCc1cccc(c1)F 62a_100011217235_100000766300 [0,1,0,0,0,0|3,0,0]=4 2230 B13R1.6 CSCCCOc1cccc(c1)C 62a_200000210301_100000212303 [0,1,0,0,0,0|3,0,0]=4 2231 B13R1.6 CSCCCOc1cccc(c1)Cl 62a_100000742658_200000210301 [0,1,0,0,0,0|3,0,0]=4 2232 B13R1.6 CSCCCOc1cccc(c1)Cl 62a_200000210301_100000742658 [0,1,0,0,0,0|3,0,0]=4 2233 B13R1.6 CSCCNCc1cccc(c1)Br 207a_100020590264_100000210085 [0,1,0,0,0,0|3,0,0]=4 2234 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100000174977_100000751147 [0,1,0,0,0,0|3,0,0]=4 2235 B13R1.6 CSCCNCc1cccc(c1)Br 2230a_100020590264_100000698116 [0,1,0,0,0,0|3,0,0]=4 2236 B13R1.6 CSCCNCc1cccc(c1)Br 270004a_100020590264_100000210085 [0,1,0,0,0,0|3,0,0]=4 2237 B13R1.6 CSCCNCc1cccc(c1)Br 34a_100000174977_100000212216 [0,1,0,0,0,0|3,0,0]=4 2238 B13R1.6 CSCCNCc1cccc(c1)C 207a_100020590264_100000211157 [0,1,0,0,0,0|3,0,0]=4 2239 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100000185548_100000751147 [0,1,0,0,0,0|3,0,0]=4 2240 B13R1.6 CSCCNCc1cccc(c1)C 2230a_100020590264_100000211840 [0,1,0,0,0,0|3,0,0]=4 2241 B13R1.6 CSCCNCc1cccc(c1)C 270004a_100020590264_100000211157 [0,1,0,0,0,0|3,0,0]=4 2242 B13R1.6 CSCCNCc1cccc(c1)C 34a_100000185548_100000212216 [0,1,0,0,0,0|3,0,0]=4 2243 B13R1.6 CSCCNCc1cccc(c1)Cl 207a_100020590264_100000210801 [0,1,0,0,0,0|3,0,0]=4 2244 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100000174878_100000751147 [0,1,0,0,0,0|3,0,0]=4 2245 B13R1.6 CSCCNCc1cccc(c1)Cl 2230a_100020590264_100000181238 [0,1,0,0,0,0|3,0,0]=4 2246 B13R1.6 CSCCNCc1cccc(c1)Cl 270004a_100020590264_100000210801 [0,1,0,0,0,0|3,0,0]=4 2247 B13R1.6 CSCCNCc1cccc(c1)Cl 34a_100000174878_100000212216 [0,1,0,0,0,0|3,0,0]=4 2248 B13R1.6 CSCCNCc1cccc(c1)F 207a_100020590264_100000210812 [0,1,0,0,0,0|3,0,0]=4 2249 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100000174948_100000751147 [0,1,0,0,0,0|3,0,0]=4 2250 B13R1.6 CSCCNCc1cccc(c1)F 2230a_100020590264_100000230114 [0,1,0,0,0,0|3,0,0]=4 2251 B13R1.6 CSCCNCc1cccc(c1)F 270004a_100020590264_100000210812 [0,1,0,0,0,0|3,0,0]=4 2252 B13R1.6 CSCCNCc1cccc(c1)F 34a_100000174948_100000212216 [0,1,0,0,0,0|3,0,0]=4 2253 B13R1.6 CSCCNCc1cccc(c1)I 207a_100020590264_100000014684 [0,1,0,0,0,0|3,0,0]=4 2254 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100000106179_100000751147 [0,1,0,0,0,0|3,0,0]=4 2255 B13R1.6 CSCCNCc1cccc(c1)I 2230a_100020590264_100011218688 [0,1,0,0,0,0|3,0,0]=4 2256 B13R1.6 CSCCNCc1cccc(c1)I 270004a_100020590264_100000014684 [0,1,0,0,0,0|3,0,0]=4 2257 B13R1.6 CSCCNCc1cccc(c1)I 34a_100000106179_100000212216 [0,1,0,0,0,0|3,0,0]=4 2258 B13R1.6 CSCCNCc1cccc(c1)O 207a_100020590264_100000188321 [0,1,0,0,0,0|3,0,0]=4 2259 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100000743036_100000751147 [0,1,0,0,0,0|3,0,0]=4 2260 B13R1.6 CSCCNCc1cccc(c1)O 2230a_100020590264_100011660834 [0,1,0,0,0,0|3,0,0]=4 2261 B13R1.6 CSCCNCc1cccc(c1)O 270004a_100020590264_100000188321 [0,1,0,0,0,0|3,0,0]=4 2262 B13R1.6 CSCCNCc1cccc(c1)O 34a_100000743036_100000212216 [0,1,0,0,0,0|3,0,0]=4 2263 B13R1.6 CSCCOCc1cccc(c1)Br 34a_100000230434_100000698116 [0,1,0,0,0,0|3,0,0]=4 2264 B13R1.6 CSCCOCc1cccc(c1)Br 34a_100000687537_100000212216 [0,1,0,0,0,0|3,0,0]=4 2265 B13R1.6 CSCCOCc1cccc(c1)Br 7a_100000230434_100000211773 [0,1,0,0,0,0|3,0,0]=4 2266 B13R1.6 CSCCOCc1cccc(c1)Br 7a_100000687537_100000212216 [0,1,0,0,0,0|3,0,0]=4 2267 B13R1.6 CSCCOCc1cccc(c1)C 34a_100000230434_100000211840 [0,1,0,0,0,0|3,0,0]=4 2268 B13R1.6 CSCCOCc1cccc(c1)C 34a_100011217746_100000212216 [0,1,0,0,0,0|3,0,0]=4 2269 B13R1.6 CSCCOCc1cccc(c1)C 7a_100000230434_100000211840 [0,1,0,0,0,0|3,0,0]=4 2270 B13R1.6 CSCCOCc1cccc(c1)C 7a_100011217746_100000212216 [0,1,0,0,0,0|3,0,0]=4 2271 B13R1.6 CSCCOCc1cccc(c1)Cl 34a_100000230434_100000187163 [0,1,0,0,0,0|3,0,0]=4 2272 B13R1.6 CSCCOCc1cccc(c1)Cl 34a_100000241301_100000212216 [0,1,0,0,0,0|3,0,0]=4 2273 B13R1.6 CSCCOCc1cccc(c1)Cl 7a_100000230434_100000187163 [0,1,0,0,0,0|3,0,0]=4 2274 B13R1.6 CSCCOCc1cccc(c1)Cl 7a_100000241301_100000212216 [0,1,0,0,0,0|3,0,0]=4 2275 B13R1.6 CSCCOCc1cccc(c1)F 34a_100000210976_100000212216 [0,1,0,0,0,0|3,0,0]=4 2276 B13R1.6 CSCCOCc1cccc(c1)F 34a_100000230434_100000187166 [0,1,0,0,0,0|3,0,0]=4 2277 B13R1.6 CSCCOCc1cccc(c1)F 7a_100000210976_100000212216 [0,1,0,0,0,0|3,0,0]=4 2278 B13R1.6 CSCCOCc1cccc(c1)F 7a_100000230434_100000230114 [0,1,0,0,0,0|3,0,0]=4 2279 B13R1.6 CSCCOCc1cccc(c1)I 34a_100000230434_100011218688 [0,1,0,0,0,0|3,0,0]=4 2280 B13R1.6 CSCCOCc1cccc(c1)I 34a_100011215336_100000212216 [0,1,0,0,0,0|3,0,0]=4 2281 B13R1.6 CSCCOCc1cccc(c1)I 7a_100000230434_100011218688 [0,1,0,0,0,0|3,0,0]=4 2282 B13R1.6 CSCCOCc1cccc(c1)I 7a_100011215336_100000212216 [0,1,0,0,0,0|3,0,0]=4 2283 B13R1.6 CSCCOCc1cccc(c1)N 34a_100000211919_100000212216 [0,1,0,0,0,0|3,0,0]=4 2284 B13R1.6 CSCCOCc1cccc(c1)O 34a_100000230434_100011660834 [0,1,0,0,0,0|3,0,0]=4 2285 B13R1.6 CSCCOCc1cccc(c1)O 7a_100000230434_100000084143 [0,1,0,0,0,0|3,0,0]=4 2286 B13R1.6 CSCCSCc1cccc(c1)Br 62a_100000211773_100000751147 [0,1,0,0,0,0|3,0,0]=4 2287 B13R1.6 CSCCSCc1cccc(c1)Br 62a_100000212216_100000211773 [0,1,0,0,0,0|3,0,0]=4 2288 B13R1.6 CSCCSCc1cccc(c1)C 62a_100000211840_100000751147 [0,1,0,0,0,0|3,0,0]=4 2289 B13R1.6 CSCCSCc1cccc(c1)C 62a_100000212216_100000211840 [0,1,0,0,0,0|3,0,0]=4 2290 B13R1.6 CSCCSCc1cccc(c1)Cl 62a_100000187163_100000751147 [0,1,0,0,0,0|3,0,0]=4 2291 B13R1.6 CSCCSCc1cccc(c1)Cl 62a_100000212216_100000187163 [0,1,0,0,0,0|3,0,0]=4 2292 B13R1.6 CSCCSCc1cccc(c1)F 62a_100000212216_100000230114 [0,1,0,0,0,0|3,0,0]=4 2293 B13R1.6 CSCCSCc1cccc(c1)F 62a_100000230114_100000751147 [0,1,0,0,0,0|3,0,0]=4 2294 B13R1.6 CSCCSCc1cccc(c1)I 62a_100000212216_100011218688 [0,1,0,0,0,0|3,0,0]=4 2295 B13R1.6 CSCCSCc1cccc(c1)I 62a_100011218688_100000751147 [0,1,0,0,0,0|3,0,0]=4 2296 B13R1.6 CSCCSCc1cccc(c1)O 62a_100000212216_100011660834 [0,1,0,0,0,0|3,0,0]=4 2297 B13R1.6 CSCCSCc1cccc(c1)O 62a_100011660834_100000751147 [0,1,0,0,0,0|3,0,0]=4 2298 B13R1.6 CSCNCCc1cccc(c1)Br 2230a_100011207229_100011218213 [0,1,0,0,0,0|3,0,0]=4 2299 B13R1.6 CSCNCCc1cccc(c1)Br 34a_100011207229_100011218213 [0,1,0,0,0,0|3,0,0]=4 2300 B13R1.6 CSCNCCc1cccc(c1)C 2230a_100000749837_100011218213 [0,1,0,0,0,0|3,0,0]=4 2301 B13R1.6 CSCNCCc1cccc(c1)C 34a_100000749837_100011218213 [0,1,0,0,0,0|3,0,0]=4 2302 B13R1.6 CSCNCCc1cccc(c1)Cl 2230a_100000185263_100011218213 [0,1,0,0,0,0|3,0,0]=4 2303 B13R1.6 CSCNCCc1cccc(c1)Cl 34a_100000185263_100011218213 [0,1,0,0,0,0|3,0,0]=4 2304 B13R1.6 CSCNCCc1cccc(c1)F 2230a_100000205154_100011218213 [0,1,0,0,0,0|3,0,0]=4 2305 B13R1.6 CSCNCCc1cccc(c1)F 34a_100000205154_100011218213 [0,1,0,0,0,0|3,0,0]=4 2306 B13R1.6 CSCNCCc1cccc(c1)O 2230a_100000747277_100011218213 [0,1,0,0,0,0|3,0,0]=4 2307 B13R1.6 CSCNCCc1cccc(c1)O 34a_100000747277_100011218213 [0,1,0,0,0,0|3,0,0]=4 2308 B13R1.6 CSCOCCc1cccc(c1)Br 34a_100011217444_100011218213 [0,1,0,0,0,0|3,0,0]=4 2309 B13R1.6 CSCOCCc1cccc(c1)C 34a_100011217157_100011218213 [0,1,0,0,0,0|3,0,0]=4 2310 B13R1.6 CSCOCCc1cccc(c1)Cl 34a_100000754733_100011218213 [0,1,0,0,0,0|3,0,0]=4 2311 B13R1.6 CSCOCCc1cccc(c1)F 34a_100000763591_100011218213 [0,1,0,0,0,0|3,0,0]=4 2312 B13R1.6 CSCOCCc1cccc(c1)N 34a_100011996697_100011218213 [0,1,0,0,0,0|3,0,0]=4 2313 B13R1.6 CSCSCCc1cccc(c1)Br 62a_100011218213_100011740638 [0,1,0,0,0,0|3,0,0]=4 2314 B13R1.6 CSCSCCc1cccc(c1)Br 62a_100011740638_100011218213 [0,1,0,0,0,0|3,0,0]=4 2315 B13R1.6 CSCSCCc1cccc(c1)C 62a_100011218213_100011713685 [0,1,0,0,0,0|3,0,0]=4 2316 B13R1.6 CSCSCCc1cccc(c1)C 62a_100011713685_100011218213 [0,1,0,0,0,0|3,0,0]=4 2317 B13R1.6 CSCSCCc1cccc(c1)Cl 62a_100011218213_100011713710 [0,1,0,0,0,0|3,0,0]=4 2318 B13R1.6 CSCSCCc1cccc(c1)Cl 62a_100011713710_100011218213 [0,1,0,0,0,0|3,0,0]=4 2319 B13R1.6 CSCSCCc1cccc(c1)F 62a_100011217235_100011218213 [0,1,0,0,0,0|3,0,0]=4 2320 B13R1.6 CSCSCCc1cccc(c1)F 62a_100011218213_100011217235 [0,1,0,0,0,0|3,0,0]=4 2321 B13R1.6 C[n+]1cccc(c1)SCCCCF 62a_100000729493_100009996589 [0,1,0,0,0,0|3,0,0]=4 2322 B13R1.6 C[n+]1cccc(c1)SCCCCF 62a_100009996589_100000729493 [0,1,0,0,0,0|3,0,0]=4 2323 B13R1.6 C[n+]1cccc(c1)SCCCCO 62a_100000210776_100009996589 [0,1,0,0,0,0|2,0,0]=3 2324 B13R1.6 C[n+]1cccc(c1)SCCCCO 62a_100009996589_100000210776 [0,1,0,0,0,0|2,0,0]=3 2325 B13R1.6 Cc1cc(ccn1)CNCCCF 207a_100015189416_100011361630 [0,1,0,0,0,0|3,0,0]=4 2326 B13R1.6 Cc1cc(ccn1)CNCCCF 2230a_100015189416_200020672517 [0,1,0,0,0,0|3,0,0]=4 2327 B13R1.6 Cc1cc(ccn1)CNCCCF 270004a_100015189416_100011361630 [0,1,0,0,0,0|3,0,0]=4 2328 B13R1.6 Cc1cc(ccn1)CNCCCF 34a_100011934566_100011934791 [0,1,0,0,0,0|3,0,0]=4 2329 B13R1.6 Cc1cc(ccn1)CNCCCF 34a_100015189416_200020672517 [0,1,0,0,0,0|3,0,0]=4 2330 B13R1.6 Cc1cc(ccn1)CNCCCO 207a_100000182051_100011361630 [0,1,0,0,0,0|2,0,0]=3 2331 B13R1.6 Cc1cc(ccn1)CNCCCO 270004a_100000182051_100011361630 [0,1,0,0,0,0|2,0,0]=3 2332 B13R1.6 Cc1cc(ccn1)CNCCCO 34a_100011934566_100000230001 [0,1,0,0,0,0|2,0,0]=3 2333 B13R1.6 Cc1cc(ccn1)COCCCBr 34a_100011217188_200020672517 [0,1,0,0,0,0|3,0,0]=4 2334 B13R1.6 Cc1cc(ccn1)COCCCCl 34a_100000230001_200020672517 [0,1,0,0,0,0|3,0,0]=4 2335 B13R1.6 Cc1cc(ccn1)COCCCF 34a_100000759539_200020672517 [0,1,0,0,0,0|3,0,0]=4 2336 B13R1.6 Cc1cc(ccn1)COCCCF 34a_100011998630_100011934791 [0,1,0,0,0,0|3,0,0]=4 2337 B13R1.6 Cc1cc(ccn1)COCCCN 34a_100000182051_200020672517 [0,1,0,0,0,0|3,0,0]=4 2338 B13R1.6 Cc1cc(ccn1)COCCCO 34a_100011998630_100000230001 [0,1,0,0,0,0|2,0,0]=3 2339 B13R1.6 Cc1cc(ccn1)CSCCCF 62a_100011934791_200020672517 [0,1,0,0,0,0|3,0,0]=4 2340 B13R1.6 Cc1cc(ccn1)CSCCCF 62a_200020672517_100011934791 [0,1,0,0,0,0|3,0,0]=4 2341 B13R1.6 Cc1cc(ccn1)CSCCCO 62a_100011215043_200020672517 [0,1,0,0,0,0|2,0,0]=3 2342 B13R1.6 Cc1cc(ccn1)CSCCCO 62a_200020672517_100011215043 [0,1,0,0,0,0|2,0,0]=3 2343 B13R1.6 Cc1cc(ccn1)NCCCCO 27a_100000750430_100000758586 [0,1,0,0,0,0|2,0,0]=3 2344 B13R1.6 Cc1cc(ccn1)OCCCCF 34a_100000688365_100000729493 [0,1,0,0,0,0|3,0,0]=4 2345 B13R1.6 Cc1cc(ccn1)OCCCCO 34a_100000688365_100011216708 [0,1,0,0,0,0|2,0,0]=3 2346 B13R1.6 Cc1cc(ccn1)SCCCCF 62a_100000729493_100000758586 [0,1,0,0,0,0|3,0,0]=4 2347 B13R1.6 Cc1cc(ccn1)SCCCCF 62a_100000758586_100000729493 [0,1,0,0,0,0|3,0,0]=4 2348 B13R1.6 Cc1cc(ccn1)SCCCCO 62a_100000210776_100000758586 [0,1,0,0,0,0|2,0,0]=3 2349 B13R1.6 Cc1cc(ccn1)SCCCCO 62a_100000758586_100000210776 [0,1,0,0,0,0|2,0,0]=3 2350 B13R1.6 Cc1cc(ncn1)NCCCCO 27a_100000750430_100000744208 [0,1,0,0,0,0|3,0,0]=4 2351 B13R1.6 Cc1cc(ncn1)SCCCCO 62a_100000210776_100000744208 [0,1,0,0,0,0|3,0,0]=4 2352 B13R1.6 Cc1cc(ncn1)SCCCCO 62a_100000744208_100000210776 [0,1,0,0,0,0|3,0,0]=4 2353 B13R1.6 Cc1cccc(c1)C=NNCCO 4a_100000210001_100000211157 [0,1,0,0,0,0|2,0,1]=4 2354 B13R1.6 Cc1cccc(c1)CCCNCF 34a_103496528808_100015361967 [0,1,0,0,0,0|2,0,0]=3 2355 B13R1.6 Cc1cccc(c1)CCNCC#N 2230a_100000749837_100011215382 [0,1,0,0,0,0|2,0,1]=4 2356 B13R1.6 Cc1cccc(c1)CCNCC=O 2230a_100000749837_200015260668 [0,1,0,0,0,0|1,0,2]=4 2357 B13R1.6 Cc1cccc(c1)CCNCC=O 34a_100000749837_200009817547 [0,1,0,0,0,0|1,0,2]=4 2358 B13R1.6 Cc1cccc(c1)CCNCCF 2230a_100000749837_100011217306 [0,1,0,0,0,0|2,0,0]=3 2359 B13R1.6 Cc1cccc(c1)CCNCCF 34a_100000724931_100011713685 [0,1,0,0,0,0|2,0,0]=3 2360 B13R1.6 Cc1cccc(c1)CCNCCF 34a_100000749837_100011217306 [0,1,0,0,0,0|2,0,0]=3 2361 B13R1.6 Cc1cccc(c1)CCNCCO 2230a_100000749837_100000211926 [0,1,0,0,0,0|1,0,0]=2 2362 B13R1.6 Cc1cccc(c1)CCNCCO 2230a_100016997473_100011713685 [0,1,0,0,0,0|1,0,0]=2 2363 B13R1.6 Cc1cccc(c1)CCNCCO 34a_100000749837_100000211926 [0,1,0,0,0,0|1,0,0]=2 2364 B13R1.6 Cc1cccc(c1)CCNCCO 34a_100016990907_100011713685 [0,1,0,0,0,0|1,0,0]=2 2365 B13R1.6 Cc1cccc(c1)CCOCC#N 7a_100011217157_100011215382 [0,1,0,0,0,0|2,0,1]=4 2366 B13R1.6 Cc1cccc(c1)CCOCC=O 34a_100011217157_200009817547 [0,1,0,0,0,0|1,0,2]=4 2367 B13R1.6 Cc1cccc(c1)CCOCC=O 7a_100011217157_200015260668 [0,1,0,0,0,0|1,0,2]=4 2368 B13R1.6 Cc1cccc(c1)CCOCCBr 34a_100000211926_100011713685 [0,1,0,0,0,0|2,0,0]=3 2369 B13R1.6 Cc1cccc(c1)CCOCCF 34a_100011217157_100011217306 [0,1,0,0,0,0|2,0,0]=3 2370 B13R1.6 Cc1cccc(c1)CCOCCF 7a_100011217157_100011217306 [0,1,0,0,0,0|2,0,0]=3 2371 B13R1.6 Cc1cccc(c1)CCOCCN 34a_100000210304_100011713685 [0,1,0,0,0,0|2,0,0]=3 2372 B13R1.6 Cc1cccc(c1)CCOCCO 34a_100011217157_100000211926 [0,1,0,0,0,0|1,0,0]=2 2373 B13R1.6 Cc1cccc(c1)CCOCCO 7a_100011217157_100000211926 [0,1,0,0,0,0|1,0,0]=2 2374 B13R1.6 Cc1cccc(c1)CCSCC#N 62a_100011215382_100011713685 [0,1,0,0,0,0|2,0,1]=4 2375 B13R1.6 Cc1cccc(c1)CCSCC#N 62a_100011713685_100011215382 [0,1,0,0,0,0|2,0,1]=4 2376 B13R1.6 Cc1cccc(c1)CCSCC=O 62a_100011713685_200015260668 [0,1,0,0,0,0|1,0,2]=4 2377 B13R1.6 Cc1cccc(c1)CCSCC=O 62a_200015260668_100011713685 [0,1,0,0,0,0|1,0,2]=4 2378 B13R1.6 Cc1cccc(c1)CCSCCF 62a_100011217306_100011713685 [0,1,0,0,0,0|2,0,0]=3 2379 B13R1.6 Cc1cccc(c1)CCSCCF 62a_100011713685_100011217306 [0,1,0,0,0,0|2,0,0]=3 2380 B13R1.6 Cc1cccc(c1)CCSCCO 62a_100000211926_100011713685 [0,1,0,0,0,0|1,0,0]=2 2381 B13R1.6 Cc1cccc(c1)CCSCCO 62a_100011713685_100000211926 [0,1,0,0,0,0|1,0,0]=2 2382 B13R1.6 Cc1cccc(c1)CNCCC#N 2230a_100000185548_100011215226 [0,1,0,0,0,0|2,0,1]=4 2383 B13R1.6 Cc1cccc(c1)CNCCC#N 270004a_100000720768_100000211157 [0,1,0,0,0,0|2,0,1]=4 2384 B13R1.6 Cc1cccc(c1)CNCCCF 207a_100015189416_100000211157 [0,1,0,0,0,0|2,0,0]=3 2385 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100000185548_100011934791 [0,1,0,0,0,0|2,0,0]=3 2386 B13R1.6 Cc1cccc(c1)CNCCCF 2230a_100015189416_100000211840 [0,1,0,0,0,0|2,0,0]=3 2387 B13R1.6 Cc1cccc(c1)CNCCCF 270004a_100015189416_100000211157 [0,1,0,0,0,0|2,0,0]=3 2388 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100000185548_100011934791 [0,1,0,0,0,0|2,0,0]=3 2389 B13R1.6 Cc1cccc(c1)CNCCCF 34a_100015189416_100000211840 [0,1,0,0,0,0|2,0,0]=3 2390 B13R1.6 Cc1cccc(c1)CNCCCO 207a_100000182051_100000211157 [0,1,0,0,0,0|1,0,0]=2 2391 B13R1.6 Cc1cccc(c1)CNCCCO 2230a_100000185548_100000230001 [0,1,0,0,0,0|1,0,0]=2 2392 B13R1.6 Cc1cccc(c1)CNCCCO 270004a_100000182051_100000211157 [0,1,0,0,0,0|1,0,0]=2 2393 B13R1.6 Cc1cccc(c1)CNCCCO 34a_100000185548_100000230001 [0,1,0,0,0,0|1,0,0]=2 2394 B13R1.6 Cc1cccc(c1)COCCC#N 7a_100011217746_100000184422 [0,1,0,0,0,0|2,0,1]=4 2395 B13R1.6 Cc1cccc(c1)COCCCBr 34a_100011217188_100000211840 [0,1,0,0,0,0|2,0,0]=3 2396 B13R1.6 Cc1cccc(c1)COCCCCl 34a_100000230001_100000211840 [0,1,0,0,0,0|2,0,0]=3 2397 B13R1.6 Cc1cccc(c1)COCCCF 34a_100000759539_100000211840 [0,1,0,0,0,0|2,0,0]=3 2398 B13R1.6 Cc1cccc(c1)COCCCF 34a_100011217746_100011934791 [0,1,0,0,0,0|2,0,0]=3 2399 B13R1.6 Cc1cccc(c1)COCCCF 7a_100011217746_100011934791 [0,1,0,0,0,0|2,0,0]=3 2400 B13R1.6 Cc1cccc(c1)COCCCN 34a_100000182051_100000211840 [0,1,0,0,0,0|2,0,0]=3 2401 B13R1.6 Cc1cccc(c1)COCCCO 34a_100011217746_100000230001 [0,1,0,0,0,0|1,0,0]=2 2402 B13R1.6 Cc1cccc(c1)COCCCO 7a_100011217746_100011215043 [0,1,0,0,0,0|1,0,0]=2 2403 B13R1.6 Cc1cccc(c1)COCCON 34a_100000700252_100000211840 [0,1,0,0,0,0|3,0,0]=4 2404 B13R1.6 Cc1cccc(c1)CSCCC#N 62a_100000211840_100011215226 [0,1,0,0,0,0|2,0,1]=4 2405 B13R1.6 Cc1cccc(c1)CSCCC#N 62a_100011215226_100000211840 [0,1,0,0,0,0|2,0,1]=4 2406 B13R1.6 Cc1cccc(c1)CSCCCF 62a_100000211840_100011934791 [0,1,0,0,0,0|2,0,0]=3 2407 B13R1.6 Cc1cccc(c1)CSCCCF 62a_100011934791_100000211840 [0,1,0,0,0,0|2,0,0]=3 2408 B13R1.6 Cc1cccc(c1)CSCCCO 62a_100000211840_100011215043 [0,1,0,0,0,0|1,0,0]=2 2409 B13R1.6 Cc1cccc(c1)CSCCCO 62a_100011215043_100000211840 [0,1,0,0,0,0|1,0,0]=2 2410 B13R1.6 Cc1cccc(c1)CSCCO[13CH3] 34a_100011212950_200025704644 [0,1,0,0,0,0|3,0,0]=4 2411 B13R1.6 Cc1cccc(c1)CSCCO[13CH3] 7a_100011212950_200025704644 [0,1,0,0,0,0|3,0,0]=4 2412 B13R1.6 Cc1cccc(c1)NCC#CCO 2230a_100000188690_200000047223 [0,1,0,0,0,0|1,0,2]=4 2413 B13R1.6 Cc1cccc(c1)NCC#CCO 34a_100000188690_200000047223 [0,1,0,0,0,0|1,0,2]=4 2414 B13R1.6 Cc1cccc(c1)NCCCC#N 2230a_100000188690_100000687738 [0,1,0,0,0,0|2,0,1]=4 2415 B13R1.6 Cc1cccc(c1)NCCCC=O 2230a_100000188690_200011292268 [0,1,0,0,0,0|1,0,2]=4 2416 B13R1.6 Cc1cccc(c1)NCCCCF 2230a_100000188690_100000729493 [0,1,0,0,0,0|2,0,0]=3 2417 B13R1.6 Cc1cccc(c1)NCCCCF 34a_100000188690_100000729493 [0,1,0,0,0,0|2,0,0]=3 2418 B13R1.6 Cc1cccc(c1)NCCCCO 2230a_100000188690_100000210776 [0,1,0,0,0,0|1,0,0]=2 2419 B13R1.6 Cc1cccc(c1)NCCCCO 34a_100000188690_100011216708 [0,1,0,0,0,0|1,0,0]=2 2420 B13R1.6 Cc1cccc(c1)OCC#CCO 34a_100000210337_200000047223 [0,1,0,0,0,0|1,0,2]=4 2421 B13R1.6 Cc1cccc(c1)OCC#CCO 7a_100000210337_200000047223 [0,1,0,0,0,0|1,0,2]=4 2422 B13R1.6 Cc1cccc(c1)OCCCC#N 7a_100000210337_100000687738 [0,1,0,0,0,0|2,0,1]=4 2423 B13R1.6 Cc1cccc(c1)OCCCC=O 7a_100000210337_200011292268 [0,1,0,0,0,0|1,0,2]=4 2424 B13R1.6 Cc1cccc(c1)OCCCCF 34a_100000210337_100000729493 [0,1,0,0,0,0|2,0,0]=3 2425 B13R1.6 Cc1cccc(c1)OCCCCF 7a_100000210337_100000729493 [0,1,0,0,0,0|2,0,0]=3 2426 B13R1.6 Cc1cccc(c1)OCCCCO 34a_100000210337_100011216708 [0,1,0,0,0,0|1,0,0]=2 2427 B13R1.6 Cc1cccc(c1)OCCCCO 7a_100000210337_100000210776 [0,1,0,0,0,0|1,0,0]=2 2428 B13R1.6 Cc1cccc(c1)OCCCS[13CH3] 62a_200025704644_100000212303 [0,1,0,0,0,0|3,0,0]=4 2429 B13R1.6 Cc1cccc(c1)OCCNCF 34a_100015185188_100015361967 [0,1,0,0,0,0|3,0,0]=4 2430 B13R1.6 Cc1cccc(c1)OCCOCF 34a_200011215094_100015361967 [0,1,0,0,0,0|3,0,0]=4 2431 B13R1.6 Cc1cccc(c1)OCCOCF 7a_200011215094_100015361967 [0,1,0,0,0,0|3,0,0]=4 2432 B13R1.6 Cc1cccc(c1)SCC#CCO 62a_100011215228_200000047223 [0,1,0,0,0,0|1,0,2]=4 2433 B13R1.6 Cc1cccc(c1)SCC#CCO 62a_200000047223_100011215228 [0,1,0,0,0,0|1,0,2]=4 2434 B13R1.6 Cc1cccc(c1)SCCCC#N 62a_100000687738_100011215228 [0,1,0,0,0,0|2,0,1]=4 2435 B13R1.6 Cc1cccc(c1)SCCCC#N 62a_100011215228_100000687738 [0,1,0,0,0,0|2,0,1]=4 2436 B13R1.6 Cc1cccc(c1)SCCCC=O 62a_100011215228_200011292268 [0,1,0,0,0,0|1,0,2]=4 2437 B13R1.6 Cc1cccc(c1)SCCCC=O 62a_200011292268_100011215228 [0,1,0,0,0,0|1,0,2]=4 2438 B13R1.6 Cc1cccc(c1)SCCCCF 62a_100000729493_100011215228 [0,1,0,0,0,0|2,0,0]=3 2439 B13R1.6 Cc1cccc(c1)SCCCCF 62a_100011215228_100000729493 [0,1,0,0,0,0|2,0,0]=3 2440 B13R1.6 Cc1cccc(c1)SCCCCO 62a_100000210776_100011215228 [0,1,0,0,0,0|1,0,0]=2 2441 B13R1.6 Cc1cccc(c1)SCCCCO 62a_100011215228_100000210776 [0,1,0,0,0,0|1,0,0]=2 2442 B13R1.6 Cc1cccc(c1)SCCOCF 34a_200011432187_100015361967 [0,1,0,0,0,0|3,0,0]=4 2443 B13R1.6 Cc1cccc(c1)SCCOCF 7a_200011432187_100015361967 [0,1,0,0,0,0|3,0,0]=4 2444 B13R1.6 Cc1cccc(n1)CCCOCF 34a_100000211354_100015361967 [0,1,0,0,0,0|3,0,0]=4 2445 B13R1.6 Cc1cccc(n1)CCNCCF 2230a_100011824523_100011217306 [0,1,0,0,0,0|3,0,0]=4 2446 B13R1.6 Cc1cccc(n1)CCNCCF 34a_100011824523_100011217306 [0,1,0,0,0,0|3,0,0]=4 2447 B13R1.6 Cc1cccc(n1)CCNCCO 2230a_100011824523_100000211926 [0,1,0,0,0,0|2,0,0]=3 2448 B13R1.6 Cc1cccc(n1)CCNCCO 34a_100011824523_100000211926 [0,1,0,0,0,0|2,0,0]=3 2449 B13R1.6 Cc1cccc(n1)CNCCCF 207a_100015189416_100011215050 [0,1,0,0,0,0|3,0,0]=4 2450 B13R1.6 Cc1cccc(n1)CNCCCF 2230a_100015189416_100000757606 [0,1,0,0,0,0|3,0,0]=4 2451 B13R1.6 Cc1cccc(n1)CNCCCF 270004a_100015189416_100011215050 [0,1,0,0,0,0|3,0,0]=4 2452 B13R1.6 Cc1cccc(n1)CNCCCF 34a_100000701342_100011934791 [0,1,0,0,0,0|3,0,0]=4 2453 B13R1.6 Cc1cccc(n1)CNCCCF 34a_100015189416_100000757606 [0,1,0,0,0,0|3,0,0]=4 2454 B13R1.6 Cc1cccc(n1)CNCCCO 207a_100000182051_100011215050 [0,1,0,0,0,0|2,0,0]=3 2455 B13R1.6 Cc1cccc(n1)CNCCCO 270004a_100000182051_100011215050 [0,1,0,0,0,0|2,0,0]=3 2456 B13R1.6 Cc1cccc(n1)CNCCCO 34a_100000701342_100000230001 [0,1,0,0,0,0|2,0,0]=3 2457 B13R1.6 Cc1cccc(n1)COCCCBr 34a_100011217188_100000757606 [0,1,0,0,0,0|3,0,0]=4 2458 B13R1.6 Cc1cccc(n1)COCCCCl 34a_100000230001_100000757606 [0,1,0,0,0,0|3,0,0]=4 2459 B13R1.6 Cc1cccc(n1)COCCCF 34a_100000690600_100011934791 [0,1,0,0,0,0|3,0,0]=4 2460 B13R1.6 Cc1cccc(n1)COCCCF 34a_100000759539_100000757606 [0,1,0,0,0,0|3,0,0]=4 2461 B13R1.6 Cc1cccc(n1)COCCCN 34a_100000182051_100000757606 [0,1,0,0,0,0|3,0,0]=4 2462 B13R1.6 Cc1cccc(n1)COCCCO 34a_100000690600_100000230001 [0,1,0,0,0,0|2,0,0]=3 2463 B13R1.6 Cc1cccc(n1)CSCCCF 62a_100000757606_100011934791 [0,1,0,0,0,0|3,0,0]=4 2464 B13R1.6 Cc1cccc(n1)CSCCCF 62a_100011934791_100000757606 [0,1,0,0,0,0|3,0,0]=4 2465 B13R1.6 Cc1cccc(n1)CSCCCO 62a_100000757606_100011215043 [0,1,0,0,0,0|2,0,0]=3 2466 B13R1.6 Cc1cccc(n1)CSCCCO 62a_100011215043_100000757606 [0,1,0,0,0,0|2,0,0]=3 2467 B13R1.6 Cc1cccc(n1)SCCCCF 62a_100000729493_100000742759 [0,1,0,0,0,0|3,0,0]=4 2468 B13R1.6 Cc1cccc(n1)SCCCCF 62a_100000742759_100000729493 [0,1,0,0,0,0|3,0,0]=4 2469 B13R1.6 Cc1cccc(n1)SCCCCO 62a_100000210776_100000742759 [0,1,0,0,0,0|2,0,0]=3 2470 B13R1.6 Cc1cccc(n1)SCCCCO 62a_100000742759_100000210776 [0,1,0,0,0,0|2,0,0]=3 2471 B13R1.6 Cc1ccnc(c1)CNCCCF 207a_100015189416_100011361488 [0,1,0,0,0,0|3,0,0]=4 2472 B13R1.6 Cc1ccnc(c1)CNCCCF 2230a_100015189416_100000718516 [0,1,0,0,0,0|3,0,0]=4 2473 B13R1.6 Cc1ccnc(c1)CNCCCF 270004a_100015189416_100011361488 [0,1,0,0,0,0|3,0,0]=4 2474 B13R1.6 Cc1ccnc(c1)CNCCCF 34a_100015189416_100000718516 [0,1,0,0,0,0|3,0,0]=4 2475 B13R1.6 Cc1ccnc(c1)CNCCCO 207a_100000182051_100011361488 [0,1,0,0,0,0|2,0,0]=3 2476 B13R1.6 Cc1ccnc(c1)CNCCCO 270004a_100000182051_100011361488 [0,1,0,0,0,0|2,0,0]=3 2477 B13R1.6 Cc1ccnc(c1)COCCCBr 34a_100011217188_100000718516 [0,1,0,0,0,0|3,0,0]=4 2478 B13R1.6 Cc1ccnc(c1)COCCCCl 34a_100000230001_100000718516 [0,1,0,0,0,0|3,0,0]=4 2479 B13R1.6 Cc1ccnc(c1)COCCCF 34a_100000759539_100000718516 [0,1,0,0,0,0|3,0,0]=4 2480 B13R1.6 Cc1ccnc(c1)COCCCF 34a_100011998357_100011934791 [0,1,0,0,0,0|3,0,0]=4 2481 B13R1.6 Cc1ccnc(c1)COCCCN 34a_100000182051_100000718516 [0,1,0,0,0,0|3,0,0]=4 2482 B13R1.6 Cc1ccnc(c1)COCCCO 34a_100011998357_100000230001 [0,1,0,0,0,0|2,0,0]=3 2483 B13R1.6 Cc1ccnc(c1)CSCCCF 62a_100000718516_100011934791 [0,1,0,0,0,0|3,0,0]=4 2484 B13R1.6 Cc1ccnc(c1)CSCCCF 62a_100011934791_100000718516 [0,1,0,0,0,0|3,0,0]=4 2485 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100000718516_100011215043 [0,1,0,0,0,0|2,0,0]=3 2486 B13R1.6 Cc1ccnc(c1)CSCCCO 62a_100011215043_100000718516 [0,1,0,0,0,0|2,0,0]=3 2487 B13R1.6 Cc1ccnc(c1)SCCCCF 62a_100000729493_100000750283 [0,1,0,0,0,0|3,0,0]=4 2488 B13R1.6 Cc1ccnc(c1)SCCCCF 62a_100000750283_100000729493 [0,1,0,0,0,0|3,0,0]=4 2489 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000210776_100000750283 [0,1,0,0,0,0|2,0,0]=3 2490 B13R1.6 Cc1ccnc(c1)SCCCCO 62a_100000750283_100000210776 [0,1,0,0,0,0|2,0,0]=3 2491 B13R1.6 Cc1ccnc(n1)CNCCCO 2230a_100015186494_100000230001 [0,1,0,0,0,0|3,0,0]=4 2492 B13R1.6 Cc1ccnc(n1)NCCCCO 27a_100000750430_100000750684 [0,1,0,0,0,0|3,0,0]=4 2493 B13R1.6 Cc1ccnc(n1)SCCCCO 62a_100000210776_100011243806 [0,1,0,0,0,0|3,0,0]=4 2494 B13R1.6 Cc1ccnc(n1)SCCCCO 62a_100011243806_100000210776 [0,1,0,0,0,0|3,0,0]=4 2495 B13R1.6 Cc1cncc(c1)CNCCCF 207a_100015189416_100011998712 [0,1,0,0,0,0|3,0,0]=4 2496 B13R1.6 Cc1cncc(c1)CNCCCF 2230a_100000692839_100011934791 [0,1,0,0,0,0|3,0,0]=4 2497 B13R1.6 Cc1cncc(c1)CNCCCF 2230a_100015189416_100000716715 [0,1,0,0,0,0|3,0,0]=4 2498 B13R1.6 Cc1cncc(c1)CNCCCF 270004a_100015189416_100011998712 [0,1,0,0,0,0|3,0,0]=4 2499 B13R1.6 Cc1cncc(c1)CNCCCF 34a_100000692839_100011934791 [0,1,0,0,0,0|3,0,0]=4 2500 B13R1.6 Cc1cncc(c1)CNCCCF 34a_100015189416_100000716715 [0,1,0,0,0,0|3,0,0]=4 2501 B13R1.6 Cc1cncc(c1)CNCCCO 207a_100000182051_100011998712 [0,1,0,0,0,0|2,0,0]=3 2502 B13R1.6 Cc1cncc(c1)CNCCCO 2230a_100000692839_100000230001 [0,1,0,0,0,0|2,0,0]=3 2503 B13R1.6 Cc1cncc(c1)CNCCCO 270004a_100000182051_100011998712 [0,1,0,0,0,0|2,0,0]=3 2504 B13R1.6 Cc1cncc(c1)CNCCCO 34a_100000692839_100000230001 [0,1,0,0,0,0|2,0,0]=3 2505 B13R1.6 Cc1cncc(c1)COCCCBr 34a_100011217188_100000716715 [0,1,0,0,0,0|3,0,0]=4 2506 B13R1.6 Cc1cncc(c1)COCCCCl 34a_100000230001_100000716715 [0,1,0,0,0,0|3,0,0]=4 2507 B13R1.6 Cc1cncc(c1)COCCCF 34a_100000759539_100000716715 [0,1,0,0,0,0|3,0,0]=4 2508 B13R1.6 Cc1cncc(c1)COCCCF 34a_100011998709_100011934791 [0,1,0,0,0,0|3,0,0]=4 2509 B13R1.6 Cc1cncc(c1)COCCCF 7a_100011998709_100011934791 [0,1,0,0,0,0|3,0,0]=4 2510 B13R1.6 Cc1cncc(c1)COCCCN 34a_100000182051_100000716715 [0,1,0,0,0,0|3,0,0]=4 2511 B13R1.6 Cc1cncc(c1)COCCCO 34a_100011998709_100000230001 [0,1,0,0,0,0|2,0,0]=3 2512 B13R1.6 Cc1cncc(c1)COCCCO 7a_100011998709_100011215043 [0,1,0,0,0,0|2,0,0]=3 2513 B13R1.6 Cc1cncc(c1)CSCCCF 62a_100000716715_100011934791 [0,1,0,0,0,0|3,0,0]=4 2514 B13R1.6 Cc1cncc(c1)CSCCCF 62a_100011934791_100000716715 [0,1,0,0,0,0|3,0,0]=4 2515 B13R1.6 Cc1cncc(c1)CSCCCO 62a_100000716715_100011215043 [0,1,0,0,0,0|2,0,0]=3 2516 B13R1.6 Cc1cncc(c1)CSCCCO 62a_100011215043_100000716715 [0,1,0,0,0,0|2,0,0]=3 2517 B13R1.6 Cc1cncc(c1)OCCCCF 34a_100011830280_100000729493 [0,1,0,0,0,0|3,0,0]=4 2518 B13R1.6 Cc1cncc(c1)OCCCCF 7a_100011830280_100000729493 [0,1,0,0,0,0|3,0,0]=4 2519 B13R1.6 Cc1cncc(c1)OCCCCO 34a_100011830280_100011216708 [0,1,0,0,0,0|2,0,0]=3 2520 B13R1.6 Cc1cncc(c1)OCCCCO 7a_100011830280_100000210776 [0,1,0,0,0,0|2,0,0]=3 2521 B13R1.6 Cc1cncc(c1)SCCCCF 62a_100000729493_100000760492 [0,1,0,0,0,0|3,0,0]=4 2522 B13R1.6 Cc1cncc(c1)SCCCCF 62a_100000760492_100000729493 [0,1,0,0,0,0|3,0,0]=4 2523 B13R1.6 Cc1cncc(c1)SCCCCO 62a_100000210776_100000760492 [0,1,0,0,0,0|2,0,0]=3 2524 B13R1.6 Cc1cncc(c1)SCCCCO 62a_100000760492_100000210776 [0,1,0,0,0,0|2,0,0]=3 2525 B13R1.6 Cc1cncc(n1)CNCCCO 207a_100000182051_100000100294 [0,1,0,0,0,0|3,0,0]=4 2526 B13R1.6 Cc1cncc(n1)CNCCCO 270004a_100000182051_100000100294 [0,1,0,0,0,0|3,0,0]=4 2527 B13R1.6 Cc1cncc(n1)NCCCCO 27a_100000750430_100000754123 [0,1,0,0,0,0|3,0,0]=4 2528 B13R1.6 Cc1cncc(n1)SCCCCO 62a_100000210776_100000754123 [0,1,0,0,0,0|3,0,0]=4 2529 B13R1.6 Cc1cncc(n1)SCCCCO 62a_100000754123_100000210776 [0,1,0,0,0,0|3,0,0]=4 2530 B13R1.6 Cc1cnnc(c1)COCCCO 34a_100016212594_100000230001 [0,1,0,0,0,0|3,0,0]=4 2531 B13R1.6 Cc1cnnc(c1)NCCCCO 27a_100000750430_100000070100 [0,1,0,0,0,0|3,0,0]=4 2532 B13R1.6 Cc1cnnc(c1)OCCCCO 34a_100000766097_100011216708 [0,1,0,0,0,0|3,0,0]=4 2533 B13R1.6 Cc1cnnc(c1)SCCCCO 62a_100000070100_100000210776 [0,1,0,0,0,0|3,0,0]=4 2534 B13R1.6 Cc1cnnc(c1)SCCCCO 62a_100000210776_100000070100 [0,1,0,0,0,0|3,0,0]=4 2535 B13R1.6 Cc1nccc(n1)CNCCCO 270004a_100000182051_100011361539 [0,1,0,0,0,0|3,0,0]=4 2536 B13R1.6 Cc1nccc(n1)NCCCCO 27a_100000750430_100000749937 [0,1,0,0,0,0|3,0,0]=4 2537 B13R1.6 Cc1nccc(n1)SCCCCO 62a_100000210776_100000749937 [0,1,0,0,0,0|3,0,0]=4 2538 B13R1.6 Cc1nccc(n1)SCCCCO 62a_100000749937_100000210776 [0,1,0,0,0,0|3,0,0]=4 2539 B13R1.6 ClCCCOCc1cc(ccn1)Br 34a_100000230001_100010173614 [0,1,0,0,0,0|3,0,0]=4 2540 B13R1.6 ClCCCOCc1cc(ccn1)Cl 34a_100000230001_100016988179 [0,1,0,0,0,0|3,0,0]=4 2541 B13R1.6 ClCCCOCc1cccc(c1)Br 34a_100000230001_100000698116 [0,1,0,0,0,0|2,0,0]=3 2542 B13R1.6 ClCCCOCc1cccc(c1)Cl 34a_100000230001_100000187163 [0,1,0,0,0,0|2,0,0]=3 2543 B13R1.6 ClCCCOCc1cccc(c1)I 34a_100000230001_100011218688 [0,1,0,0,0,0|2,0,0]=3 2544 B13R1.6 ClCCCOCc1cccc(n1)Br 34a_100000230001_100009889011 [0,1,0,0,0,0|3,0,0]=4 2545 B13R1.6 ClCCCOCc1cccc(n1)Cl 34a_100000230001_100000086093 [0,1,0,0,0,0|3,0,0]=4 2546 B13R1.6 ClCCCOCc1ccnc(c1)Br 34a_100000230001_100010243470 [0,1,0,0,0,0|3,0,0]=4 2547 B13R1.6 ClCCCOCc1ccnc(c1)Cl 34a_100000230001_100000764220 [0,1,0,0,0,0|3,0,0]=4 2548 B13R1.6 ClCCCOCc1cncc(c1)Br 34a_100000230001_100000738771 [0,1,0,0,0,0|3,0,0]=4 2549 B13R1.6 ClCCCOCc1cncc(c1)Cl 34a_100000230001_100016992070 [0,1,0,0,0,0|3,0,0]=4 2550 B13R1.6 Clc1cc(ccn1)COCCCBr 34a_100011217188_100000764220 [0,1,0,0,0,0|3,0,0]=4 2551 B13R1.6 Clc1cccc(c1)CCOCCBr 34a_100000211926_100011713710 [0,1,0,0,0,0|2,0,0]=3 2552 B13R1.6 Clc1cccc(c1)COCCCBr 34a_100011217188_100000187163 [0,1,0,0,0,0|2,0,0]=3 2553 B13R1.6 Clc1cccc(n1)COCCCBr 34a_100011217188_100000086093 [0,1,0,0,0,0|3,0,0]=4 2554 B13R1.6 Clc1ccnc(c1)COCCCBr 34a_100011217188_100016988179 [0,1,0,0,0,0|3,0,0]=4 2555 B13R1.6 Clc1cncc(c1)COCCCBr 34a_100011217188_100016992070 [0,1,0,0,0,0|3,0,0]=4 2556 B13R1.6 FCCCCNc1cccc(c1)Br 34a_100000210019_100000729493 [0,1,0,0,0,0|2,0,0]=3 2557 B13R1.6 FCCCCNc1cccc(c1)Cl 34a_100000185859_100000729493 [0,1,0,0,0,0|2,0,0]=3 2558 B13R1.6 FCCCCNc1cccc(c1)F 34a_100000210047_100000729493 [0,1,0,0,0,0|2,0,0]=3 2559 B13R1.6 FCCCCNc1cccc(c1)I 34a_100000211102_100000729493 [0,1,0,0,0,0|2,0,0]=3 2560 B13R1.6 FCCCCOc1cccc(c1)Br 34a_100000210342_100000729493 [0,1,0,0,0,0|2,0,0]=3 2561 B13R1.6 FCCCCOc1cccc(c1)Br 7a_100000210342_100000729493 [0,1,0,0,0,0|2,0,0]=3 2562 B13R1.6 FCCCCOc1cccc(c1)Cl 34a_100000210295_100000729493 [0,1,0,0,0,0|2,0,0]=3 2563 B13R1.6 FCCCCOc1cccc(c1)Cl 7a_100000210295_100000729493 [0,1,0,0,0,0|2,0,0]=3 2564 B13R1.6 FCCCCOc1cccc(c1)F 34a_100000210426_100000729493 [0,1,0,0,0,0|2,0,0]=3 2565 B13R1.6 FCCCCOc1cccc(c1)F 7a_100000210426_100000729493 [0,1,0,0,0,0|2,0,0]=3 2566 B13R1.6 FCCCCOc1cccc(c1)I 34a_100000211634_100000729493 [0,1,0,0,0,0|2,0,0]=3 2567 B13R1.6 FCCCCOc1cccc(c1)I 7a_100000211634_100000729493 [0,1,0,0,0,0|2,0,0]=3 2568 B13R1.6 FCCCCOc1cccc(n1)F 34a_100011432558_100000729493 [0,1,0,0,0,0|3,0,0]=4 2569 B13R1.6 FCCCCOc1ccnc(c1)Cl 34a_100000762945_100000729493 [0,1,0,0,0,0|3,0,0]=4 2570 B13R1.6 FCCCCOc1ccnc(c1)F 34a_100000732698_100000729493 [0,1,0,0,0,0|3,0,0]=4 2571 B13R1.6 FCCCCOc1cncc(c1)Br 34a_100000754920_100000729493 [0,1,0,0,0,0|3,0,0]=4 2572 B13R1.6 FCCCCOc1cncc(c1)Br 7a_100000754920_100000729493 [0,1,0,0,0,0|3,0,0]=4 2573 B13R1.6 FCCCCOc1cncc(c1)Cl 7a_100000032511_100000729493 [0,1,0,0,0,0|3,0,0]=4 2574 B13R1.6 FCCCCOc1cncc(c1)F 34a_100011830296_100000729493 [0,1,0,0,0,0|3,0,0]=4 2575 B13R1.6 FCCCCOc1cncc(c1)F 7a_100011830296_100000729493 [0,1,0,0,0,0|3,0,0]=4 2576 B13R1.6 FCCCCSc1cc(ccn1)Cl 62a_100000729493_100010167805 [0,1,0,0,0,0|3,0,0]=4 2577 B13R1.6 FCCCCSc1cc(ccn1)Cl 62a_100010167805_100000729493 [0,1,0,0,0,0|3,0,0]=4 2578 B13R1.6 FCCCCSc1cc(ccn1)F 62a_100000729493_100000764206 [0,1,0,0,0,0|3,0,0]=4 2579 B13R1.6 FCCCCSc1cc(ccn1)F 62a_100000764206_100000729493 [0,1,0,0,0,0|3,0,0]=4 2580 B13R1.6 FCCCCSc1cccc(c1)Br 62a_100000691529_100000729493 [0,1,0,0,0,0|2,0,0]=3 2581 B13R1.6 FCCCCSc1cccc(c1)Br 62a_100000729493_100000691529 [0,1,0,0,0,0|2,0,0]=3 2582 B13R1.6 FCCCCSc1cccc(c1)Cl 62a_100000699651_100000729493 [0,1,0,0,0,0|2,0,0]=3 2583 B13R1.6 FCCCCSc1cccc(c1)Cl 62a_100000729493_100000699651 [0,1,0,0,0,0|2,0,0]=3 2584 B13R1.6 FCCCCSc1cccc(c1)F 62a_100000685547_100000729493 [0,1,0,0,0,0|2,0,0]=3 2585 B13R1.6 FCCCCSc1cccc(c1)F 62a_100000729493_100000685547 [0,1,0,0,0,0|2,0,0]=3 2586 B13R1.6 FCCCCSc1cccc(c1)[S] 62a_100000729493_114929384022 [0,1,0,0,0,0|2,0,0]=3 2587 B13R1.6 FCCCCSc1cccc(c1)[S] 62a_114929384022_100000729493 [0,1,0,0,0,0|2,0,0]=3 2588 B13R1.6 FCCCCSc1cccc(n1)Br 62a_100000684672_100000729493 [0,1,0,0,0,0|3,0,0]=4 2589 B13R1.6 FCCCCSc1cccc(n1)Br 62a_100000729493_100000684672 [0,1,0,0,0,0|3,0,0]=4 2590 B13R1.6 FCCCCSc1cccc(n1)Cl 62a_100000051397_100000729493 [0,1,0,0,0,0|3,0,0]=4 2591 B13R1.6 FCCCCSc1cccc(n1)Cl 62a_100000729493_100000051397 [0,1,0,0,0,0|3,0,0]=4 2592 B13R1.6 FCCCCSc1cccc(n1)F 62a_100000729493_100009815982 [0,1,0,0,0,0|3,0,0]=4 2593 B13R1.6 FCCCCSc1cccc(n1)F 62a_100009815982_100000729493 [0,1,0,0,0,0|3,0,0]=4 2594 B13R1.6 FCCCCSc1ccnc(c1)Br 62a_100000729493_100009814637 [0,1,0,0,0,0|3,0,0]=4 2595 B13R1.6 FCCCCSc1ccnc(c1)Br 62a_100009814637_100000729493 [0,1,0,0,0,0|3,0,0]=4 2596 B13R1.6 FCCCCSc1ccnc(c1)Cl 62a_100000035001_100000729493 [0,1,0,0,0,0|3,0,0]=4 2597 B13R1.6 FCCCCSc1ccnc(c1)Cl 62a_100000729493_100000035001 [0,1,0,0,0,0|3,0,0]=4 2598 B13R1.6 FCCCCSc1ccnc(c1)F 62a_100000729493_100009816116 [0,1,0,0,0,0|3,0,0]=4 2599 B13R1.6 FCCCCSc1ccnc(c1)F 62a_100009816116_100000729493 [0,1,0,0,0,0|3,0,0]=4 2600 B13R1.6 FCCCCSc1cncc(c1)Br 62a_100000728054_100000729493 [0,1,0,0,0,0|3,0,0]=4 2601 B13R1.6 FCCCCSc1cncc(c1)Br 62a_100000729493_100000728054 [0,1,0,0,0,0|3,0,0]=4 2602 B13R1.6 FCCCCSc1cncc(c1)Cl 62a_100000049639_100000729493 [0,1,0,0,0,0|3,0,0]=4 2603 B13R1.6 FCCCCSc1cncc(c1)Cl 62a_100000729493_100000049639 [0,1,0,0,0,0|3,0,0]=4 2604 B13R1.6 FCCCCSc1cncc(c1)F 62a_100000729493_100000744099 [0,1,0,0,0,0|3,0,0]=4 2605 B13R1.6 FCCCCSc1cncc(c1)F 62a_100000744099_100000729493 [0,1,0,0,0,0|3,0,0]=4 2606 B13R1.6 FCCCNCc1cc(ccn1)Br 2230a_100015189416_100010173614 [0,1,0,0,0,0|3,0,0]=4 2607 B13R1.6 FCCCNCc1cc(ccn1)Br 270004a_100015189416_100009818557 [0,1,0,0,0,0|3,0,0]=4 2608 B13R1.6 FCCCNCc1cc(ccn1)Br 34a_100015189416_100010173614 [0,1,0,0,0,0|3,0,0]=4 2609 B13R1.6 FCCCNCc1cc(ccn1)Cl 2230a_100015189416_100016988179 [0,1,0,0,0,0|3,0,0]=4 2610 B13R1.6 FCCCNCc1cc(ccn1)Cl 270004a_100015189416_100011998288 [0,1,0,0,0,0|3,0,0]=4 2611 B13R1.6 FCCCNCc1cc(ccn1)Cl 34a_100015189416_100016988179 [0,1,0,0,0,0|3,0,0]=4 2612 B13R1.6 FCCCNCc1cccc(c1)Br 207a_100015189416_100000210085 [0,1,0,0,0,0|2,0,0]=3 2613 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100000174977_100011934791 [0,1,0,0,0,0|2,0,0]=3 2614 B13R1.6 FCCCNCc1cccc(c1)Br 2230a_100015189416_100000698116 [0,1,0,0,0,0|2,0,0]=3 2615 B13R1.6 FCCCNCc1cccc(c1)Br 270004a_100015189416_100000210085 [0,1,0,0,0,0|2,0,0]=3 2616 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100000174977_100011934791 [0,1,0,0,0,0|2,0,0]=3 2617 B13R1.6 FCCCNCc1cccc(c1)Br 34a_100015189416_100000698116 [0,1,0,0,0,0|2,0,0]=3 2618 B13R1.6 FCCCNCc1cccc(c1)Cl 207a_100015189416_100000210801 [0,1,0,0,0,0|2,0,0]=3 2619 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100000174878_100011934791 [0,1,0,0,0,0|2,0,0]=3 2620 B13R1.6 FCCCNCc1cccc(c1)Cl 2230a_100015189416_100000181238 [0,1,0,0,0,0|2,0,0]=3 2621 B13R1.6 FCCCNCc1cccc(c1)Cl 270004a_100015189416_100000210801 [0,1,0,0,0,0|2,0,0]=3 2622 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100000174878_100011934791 [0,1,0,0,0,0|2,0,0]=3 2623 B13R1.6 FCCCNCc1cccc(c1)Cl 34a_100015189416_100000187163 [0,1,0,0,0,0|2,0,0]=3 2624 B13R1.6 FCCCNCc1cccc(c1)F 207a_100015189416_100000210812 [0,1,0,0,0,0|2,0,0]=3 2625 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100000174948_100011934791 [0,1,0,0,0,0|2,0,0]=3 2626 B13R1.6 FCCCNCc1cccc(c1)F 2230a_100015189416_100000230114 [0,1,0,0,0,0|2,0,0]=3 2627 B13R1.6 FCCCNCc1cccc(c1)F 270004a_100015189416_100000210812 [0,1,0,0,0,0|2,0,0]=3 2628 B13R1.6 FCCCNCc1cccc(c1)F 34a_100000174948_100011934791 [0,1,0,0,0,0|2,0,0]=3 2629 B13R1.6 FCCCNCc1cccc(c1)F 34a_100015189416_100000187166 [0,1,0,0,0,0|2,0,0]=3 2630 B13R1.6 FCCCNCc1cccc(c1)I 207a_100015189416_100000014684 [0,1,0,0,0,0|2,0,0]=3 2631 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100000106179_100011934791 [0,1,0,0,0,0|2,0,0]=3 2632 B13R1.6 FCCCNCc1cccc(c1)I 2230a_100015189416_100011218688 [0,1,0,0,0,0|2,0,0]=3 2633 B13R1.6 FCCCNCc1cccc(c1)I 270004a_100015189416_100000014684 [0,1,0,0,0,0|2,0,0]=3 2634 B13R1.6 FCCCNCc1cccc(c1)I 34a_100000106179_100011934791 [0,1,0,0,0,0|2,0,0]=3 2635 B13R1.6 FCCCNCc1cccc(c1)I 34a_100015189416_100011218688 [0,1,0,0,0,0|2,0,0]=3 2636 B13R1.6 FCCCNCc1cccc(n1)Br 2230a_100015189416_100009889011 [0,1,0,0,0,0|3,0,0]=4 2637 B13R1.6 FCCCNCc1cccc(n1)Br 2230a_100016987751_100011934791 [0,1,0,0,0,0|3,0,0]=4 2638 B13R1.6 FCCCNCc1cccc(n1)Br 270004a_100015189416_100000688028 [0,1,0,0,0,0|3,0,0]=4 2639 B13R1.6 FCCCNCc1cccc(n1)Br 34a_100015189416_100009889011 [0,1,0,0,0,0|3,0,0]=4 2640 B13R1.6 FCCCNCc1cccc(n1)Cl 2230a_100015189416_100000086093 [0,1,0,0,0,0|3,0,0]=4 2641 B13R1.6 FCCCNCc1cccc(n1)Cl 2230a_100016990191_100011934791 [0,1,0,0,0,0|3,0,0]=4 2642 B13R1.6 FCCCNCc1cccc(n1)Cl 270004a_100015189416_100011361687 [0,1,0,0,0,0|3,0,0]=4 2643 B13R1.6 FCCCNCc1cccc(n1)Cl 34a_100015189416_100000086093 [0,1,0,0,0,0|3,0,0]=4 2644 B13R1.6 FCCCNCc1cccc(n1)F 2230a_100015188798_100011934791 [0,1,0,0,0,0|3,0,0]=4 2645 B13R1.6 FCCCNCc1cccc(n1)F 2230a_100015189416_100009819644 [0,1,0,0,0,0|3,0,0]=4 2646 B13R1.6 FCCCNCc1cccc(n1)F 270004a_100015189416_100000050434 [0,1,0,0,0,0|3,0,0]=4 2647 B13R1.6 FCCCNCc1cccc(n1)F 34a_100015188798_100011934791 [0,1,0,0,0,0|3,0,0]=4 2648 B13R1.6 FCCCNCc1cccc(n1)F 34a_100015189416_100009819644 [0,1,0,0,0,0|3,0,0]=4 2649 B13R1.6 FCCCNCc1ccnc(c1)Br 2230a_100015189416_100010243470 [0,1,0,0,0,0|3,0,0]=4 2650 B13R1.6 FCCCNCc1ccnc(c1)Br 2230a_100025757509_100011934791 [0,1,0,0,0,0|3,0,0]=4 2651 B13R1.6 FCCCNCc1ccnc(c1)Br 270004a_100015189416_100009814634 [0,1,0,0,0,0|3,0,0]=4 2652 B13R1.6 FCCCNCc1ccnc(c1)Br 34a_100015189416_100010243470 [0,1,0,0,0,0|3,0,0]=4 2653 B13R1.6 FCCCNCc1ccnc(c1)Br 34a_100025757509_100011934791 [0,1,0,0,0,0|3,0,0]=4 2654 B13R1.6 FCCCNCc1ccnc(c1)Cl 2230a_100015189416_100000764220 [0,1,0,0,0,0|3,0,0]=4 2655 B13R1.6 FCCCNCc1ccnc(c1)Cl 2230a_100015205668_100011934791 [0,1,0,0,0,0|3,0,0]=4 2656 B13R1.6 FCCCNCc1ccnc(c1)Cl 270004a_100015189416_100011290808 [0,1,0,0,0,0|3,0,0]=4 2657 B13R1.6 FCCCNCc1ccnc(c1)Cl 34a_100015189416_100000764220 [0,1,0,0,0,0|3,0,0]=4 2658 B13R1.6 FCCCNCc1ccnc(c1)Cl 34a_100015205668_100011934791 [0,1,0,0,0,0|3,0,0]=4 2659 B13R1.6 FCCCNCc1ccnc(c1)F 2230a_100015188774_100011934791 [0,1,0,0,0,0|3,0,0]=4 2660 B13R1.6 FCCCNCc1ccnc(c1)F 270004a_100015189416_100000068331 [0,1,0,0,0,0|3,0,0]=4 2661 B13R1.6 FCCCNCc1ccnc(c1)F 34a_100015188774_100011934791 [0,1,0,0,0,0|3,0,0]=4 2662 B13R1.6 FCCCNCc1cncc(c1)Br 207a_100015189416_100000687066 [0,1,0,0,0,0|3,0,0]=4 2663 B13R1.6 FCCCNCc1cncc(c1)Br 2230a_100015189416_100000738771 [0,1,0,0,0,0|3,0,0]=4 2664 B13R1.6 FCCCNCc1cncc(c1)Br 270004a_100015189416_100000687066 [0,1,0,0,0,0|3,0,0]=4 2665 B13R1.6 FCCCNCc1cncc(c1)Br 34a_100015189416_100000738771 [0,1,0,0,0,0|3,0,0]=4 2666 B13R1.6 FCCCNCc1cncc(c1)Cl 207a_100015189416_100000088910 [0,1,0,0,0,0|3,0,0]=4 2667 B13R1.6 FCCCNCc1cncc(c1)Cl 2230a_100015189416_100016992070 [0,1,0,0,0,0|3,0,0]=4 2668 B13R1.6 FCCCNCc1cncc(c1)Cl 2230a_200020614424_100011934791 [0,1,0,0,0,0|3,0,0]=4 2669 B13R1.6 FCCCNCc1cncc(c1)Cl 270004a_100015189416_100000088910 [0,1,0,0,0,0|3,0,0]=4 2670 B13R1.6 FCCCNCc1cncc(c1)Cl 34a_100015189416_100016992070 [0,1,0,0,0,0|3,0,0]=4 2671 B13R1.6 FCCCNCc1cncc(c1)F 207a_100015189416_100011361476 [0,1,0,0,0,0|3,0,0]=4 2672 B13R1.6 FCCCNCc1cncc(c1)F 2230a_100011962886_100011934791 [0,1,0,0,0,0|3,0,0]=4 2673 B13R1.6 FCCCNCc1cncc(c1)F 2230a_100015189416_100000725299 [0,1,0,0,0,0|3,0,0]=4 2674 B13R1.6 FCCCNCc1cncc(c1)F 270004a_100015189416_100011361476 [0,1,0,0,0,0|3,0,0]=4 2675 B13R1.6 FCCCNCc1cncc(c1)F 34a_100011962886_100011934791 [0,1,0,0,0,0|3,0,0]=4 2676 B13R1.6 FCCCNCc1cncc(c1)F 34a_100015189416_100000725299 [0,1,0,0,0,0|3,0,0]=4 2677 B13R1.6 FCCCOCc1cc(ccn1)Br 34a_100000759539_100010173614 [0,1,0,0,0,0|3,0,0]=4 2678 B13R1.6 FCCCOCc1cc(ccn1)Cl 34a_100000748867_100011934791 [0,1,0,0,0,0|3,0,0]=4 2679 B13R1.6 FCCCOCc1cc(ccn1)Cl 34a_100000759539_100016988179 [0,1,0,0,0,0|3,0,0]=4 2680 B13R1.6 FCCCOCc1cccc(c1)Br 34a_100000687537_100011934791 [0,1,0,0,0,0|2,0,0]=3 2681 B13R1.6 FCCCOCc1cccc(c1)Br 34a_100000759539_100000698116 [0,1,0,0,0,0|2,0,0]=3 2682 B13R1.6 FCCCOCc1cccc(c1)Br 7a_100000687537_100011934791 [0,1,0,0,0,0|2,0,0]=3 2683 B13R1.6 FCCCOCc1cccc(c1)Cl 34a_100000241301_100011934791 [0,1,0,0,0,0|2,0,0]=3 2684 B13R1.6 FCCCOCc1cccc(c1)Cl 34a_100000759539_100000187163 [0,1,0,0,0,0|2,0,0]=3 2685 B13R1.6 FCCCOCc1cccc(c1)Cl 7a_100000241301_100011934791 [0,1,0,0,0,0|2,0,0]=3 2686 B13R1.6 FCCCOCc1cccc(c1)F 34a_100000210976_100011934791 [0,1,0,0,0,0|2,0,0]=3 2687 B13R1.6 FCCCOCc1cccc(c1)F 34a_100000759539_100000187166 [0,1,0,0,0,0|2,0,0]=3 2688 B13R1.6 FCCCOCc1cccc(c1)F 7a_100000210976_100011934791 [0,1,0,0,0,0|2,0,0]=3 2689 B13R1.6 FCCCOCc1cccc(c1)I 34a_100000759539_100011218688 [0,1,0,0,0,0|2,0,0]=3 2690 B13R1.6 FCCCOCc1cccc(c1)I 34a_100011215336_100011934791 [0,1,0,0,0,0|2,0,0]=3 2691 B13R1.6 FCCCOCc1cccc(c1)I 7a_100011215336_100011934791 [0,1,0,0,0,0|2,0,0]=3 2692 B13R1.6 FCCCOCc1cccc(n1)Br 34a_100000694195_100011934791 [0,1,0,0,0,0|3,0,0]=4 2693 B13R1.6 FCCCOCc1cccc(n1)Br 34a_100000759539_100009889011 [0,1,0,0,0,0|3,0,0]=4 2694 B13R1.6 FCCCOCc1cccc(n1)Cl 34a_100000759539_100000086093 [0,1,0,0,0,0|3,0,0]=4 2695 B13R1.6 FCCCOCc1cccc(n1)Cl 34a_100011998359_100011934791 [0,1,0,0,0,0|3,0,0]=4 2696 B13R1.6 FCCCOCc1cccc(n1)F 34a_100000086748_100011934791 [0,1,0,0,0,0|3,0,0]=4 2697 B13R1.6 FCCCOCc1cccc(n1)F 34a_100000759539_100009819644 [0,1,0,0,0,0|3,0,0]=4 2698 B13R1.6 FCCCOCc1ccnc(c1)Br 34a_100000759539_100010243470 [0,1,0,0,0,0|3,0,0]=4 2699 B13R1.6 FCCCOCc1ccnc(c1)Br 34a_100009814636_100011934791 [0,1,0,0,0,0|3,0,0]=4 2700 B13R1.6 FCCCOCc1ccnc(c1)Br 7a_100009814636_100011934791 [0,1,0,0,0,0|3,0,0]=4 2701 B13R1.6 FCCCOCc1ccnc(c1)Cl 34a_100000748751_100011934791 [0,1,0,0,0,0|3,0,0]=4 2702 B13R1.6 FCCCOCc1ccnc(c1)Cl 34a_100000759539_100000764220 [0,1,0,0,0,0|3,0,0]=4 2703 B13R1.6 FCCCOCc1ccnc(c1)F 34a_100000082451_100011934791 [0,1,0,0,0,0|3,0,0]=4 2704 B13R1.6 FCCCOCc1cncc(c1)Br 34a_100000759539_100000738771 [0,1,0,0,0,0|3,0,0]=4 2705 B13R1.6 FCCCOCc1cncc(c1)Br 34a_100011259137_100011934791 [0,1,0,0,0,0|3,0,0]=4 2706 B13R1.6 FCCCOCc1cncc(c1)Br 7a_100011259137_100011934791 [0,1,0,0,0,0|3,0,0]=4 2707 B13R1.6 FCCCOCc1cncc(c1)Cl 34a_100000092867_100011934791 [0,1,0,0,0,0|3,0,0]=4 2708 B13R1.6 FCCCOCc1cncc(c1)Cl 34a_100000759539_100016992070 [0,1,0,0,0,0|3,0,0]=4 2709 B13R1.6 FCCCOCc1cncc(c1)Cl 7a_100000092867_100011934791 [0,1,0,0,0,0|3,0,0]=4 2710 B13R1.6 FCCCOCc1cncc(c1)F 34a_100000759539_100000725299 [0,1,0,0,0,0|3,0,0]=4 2711 B13R1.6 FCCCOCc1cncc(c1)F 34a_100011962875_100011934791 [0,1,0,0,0,0|3,0,0]=4 2712 B13R1.6 FCCCOCc1cncc(c1)F 7a_100011962875_100011934791 [0,1,0,0,0,0|3,0,0]=4 2713 B13R1.6 FCCCSCc1cc(ccn1)Br 62a_100010173614_100011934791 [0,1,0,0,0,0|3,0,0]=4 2714 B13R1.6 FCCCSCc1cc(ccn1)Br 62a_100011934791_100010173614 [0,1,0,0,0,0|3,0,0]=4 2715 B13R1.6 FCCCSCc1cc(ccn1)Cl 62a_100011934791_100016988179 [0,1,0,0,0,0|3,0,0]=4 2716 B13R1.6 FCCCSCc1cc(ccn1)Cl 62a_100016988179_100011934791 [0,1,0,0,0,0|3,0,0]=4 2717 B13R1.6 FCCCSCc1cccc(c1)Br 62a_100000211773_100011934791 [0,1,0,0,0,0|2,0,0]=3 2718 B13R1.6 FCCCSCc1cccc(c1)Br 62a_100011934791_100000211773 [0,1,0,0,0,0|2,0,0]=3 2719 B13R1.6 FCCCSCc1cccc(c1)Cl 62a_100000187163_100011934791 [0,1,0,0,0,0|2,0,0]=3 2720 B13R1.6 FCCCSCc1cccc(c1)Cl 62a_100011934791_100000187163 [0,1,0,0,0,0|2,0,0]=3 2721 B13R1.6 FCCCSCc1cccc(c1)F 62a_100000230114_100011934791 [0,1,0,0,0,0|2,0,0]=3 2722 B13R1.6 FCCCSCc1cccc(c1)F 62a_100011934791_100000230114 [0,1,0,0,0,0|2,0,0]=3 2723 B13R1.6 FCCCSCc1cccc(c1)I 62a_100011218688_100011934791 [0,1,0,0,0,0|2,0,0]=3 2724 B13R1.6 FCCCSCc1cccc(c1)I 62a_100011934791_100011218688 [0,1,0,0,0,0|2,0,0]=3 2725 B13R1.6 FCCCSCc1cccc(n1)Br 62a_100009889011_100011934791 [0,1,0,0,0,0|3,0,0]=4 2726 B13R1.6 FCCCSCc1cccc(n1)Br 62a_100011934791_100009889011 [0,1,0,0,0,0|3,0,0]=4 2727 B13R1.6 FCCCSCc1cccc(n1)Cl 62a_100000086093_100011934791 [0,1,0,0,0,0|3,0,0]=4 2728 B13R1.6 FCCCSCc1cccc(n1)Cl 62a_100011934791_100000086093 [0,1,0,0,0,0|3,0,0]=4 2729 B13R1.6 FCCCSCc1cccc(n1)F 62a_100009819644_100011934791 [0,1,0,0,0,0|3,0,0]=4 2730 B13R1.6 FCCCSCc1cccc(n1)F 62a_100011934791_100009819644 [0,1,0,0,0,0|3,0,0]=4 2731 B13R1.6 FCCCSCc1ccnc(c1)Br 62a_100010254460_100011934791 [0,1,0,0,0,0|3,0,0]=4 2732 B13R1.6 FCCCSCc1ccnc(c1)Br 62a_100011934791_100010243470 [0,1,0,0,0,0|3,0,0]=4 2733 B13R1.6 FCCCSCc1ccnc(c1)Cl 62a_100000764220_100011934791 [0,1,0,0,0,0|3,0,0]=4 2734 B13R1.6 FCCCSCc1ccnc(c1)Cl 62a_100011934791_100000764220 [0,1,0,0,0,0|3,0,0]=4 2735 B13R1.6 FCCCSCc1cncc(c1)Br 62a_100000738771_100011934791 [0,1,0,0,0,0|3,0,0]=4 2736 B13R1.6 FCCCSCc1cncc(c1)Br 62a_100011934791_100000738771 [0,1,0,0,0,0|3,0,0]=4 2737 B13R1.6 FCCCSCc1cncc(c1)Cl 62a_100011934791_100016992070 [0,1,0,0,0,0|3,0,0]=4 2738 B13R1.6 FCCCSCc1cncc(c1)Cl 62a_100016992070_100011934791 [0,1,0,0,0,0|3,0,0]=4 2739 B13R1.6 FCCCSCc1cncc(c1)F 62a_100000725299_100011934791 [0,1,0,0,0,0|3,0,0]=4 2740 B13R1.6 FCCCSCc1cncc(c1)F 62a_100011934791_100000725299 [0,1,0,0,0,0|3,0,0]=4 2741 B13R1.6 FCCNCCc1cccc(c1)Br 2230a_100011207229_100011217306 [0,1,0,0,0,0|2,0,0]=3 2742 B13R1.6 FCCNCCc1cccc(c1)Br 34a_100000724931_100011740638 [0,1,0,0,0,0|2,0,0]=3 2743 B13R1.6 FCCNCCc1cccc(c1)Br 34a_100011207229_100011217306 [0,1,0,0,0,0|2,0,0]=3 2744 B13R1.6 FCCNCCc1cccc(c1)Cl 2230a_100000185263_100011217306 [0,1,0,0,0,0|2,0,0]=3 2745 B13R1.6 FCCNCCc1cccc(c1)Cl 34a_100000185263_100011217306 [0,1,0,0,0,0|2,0,0]=3 2746 B13R1.6 FCCNCCc1cccc(c1)Cl 34a_100000724931_100011713710 [0,1,0,0,0,0|2,0,0]=3 2747 B13R1.6 FCCNCCc1cccc(c1)F 2230a_100000205154_100011217306 [0,1,0,0,0,0|2,0,0]=3 2748 B13R1.6 FCCNCCc1cccc(c1)F 34a_100000205154_100011217306 [0,1,0,0,0,0|2,0,0]=3 2749 B13R1.6 FCCNCCc1cccc(c1)F 34a_100000724931_100011217235 [0,1,0,0,0,0|2,0,0]=3 2750 B13R1.6 FCCOCCc1cccc(c1)Br 34a_100011217444_100011217306 [0,1,0,0,0,0|2,0,0]=3 2751 B13R1.6 FCCOCCc1cccc(c1)Br 7a_100011217444_100011217306 [0,1,0,0,0,0|2,0,0]=3 2752 B13R1.6 FCCOCCc1cccc(c1)Cl 34a_100000754733_100011217306 [0,1,0,0,0,0|2,0,0]=3 2753 B13R1.6 FCCOCCc1cccc(c1)Cl 7a_100000754733_100011217306 [0,1,0,0,0,0|2,0,0]=3 2754 B13R1.6 FCCOCCc1cccc(c1)F 34a_100000763591_100011217306 [0,1,0,0,0,0|2,0,0]=3 2755 B13R1.6 FCCOCCc1cccc(c1)F 7a_100000763591_100011217306 [0,1,0,0,0,0|2,0,0]=3 2756 B13R1.6 FCCOCCc1cccc(n1)Br 34a_100010221043_100011217306 [0,1,0,0,0,0|3,0,0]=4 2757 B13R1.6 FCCOCCc1cccc(n1)Br 7a_100010221043_100011217306 [0,1,0,0,0,0|3,0,0]=4 2758 B13R1.6 FCCSCCc1cccc(c1)Br 62a_100011217306_100011740638 [0,1,0,0,0,0|2,0,0]=3 2759 B13R1.6 FCCSCCc1cccc(c1)Br 62a_100011740638_100011217306 [0,1,0,0,0,0|2,0,0]=3 2760 B13R1.6 FCCSCCc1cccc(c1)Cl 62a_100011217306_100011713710 [0,1,0,0,0,0|2,0,0]=3 2761 B13R1.6 FCCSCCc1cccc(c1)Cl 62a_100011713710_100011217306 [0,1,0,0,0,0|2,0,0]=3 2762 B13R1.6 FCCSCCc1cccc(c1)F 62a_100011217235_100011217306 [0,1,0,0,0,0|2,0,0]=3 2763 B13R1.6 FCCSCCc1cccc(c1)F 62a_100011217306_100011217235 [0,1,0,0,0,0|2,0,0]=3 2764 B13R1.6 FCNCCCc1cccc(c1)Br 34a_100000753791_100015361967 [0,1,0,0,0,0|2,0,0]=3 2765 B13R1.6 FCNCCCc1cccc(c1)Cl 34a_100000704586_100015361967 [0,1,0,0,0,0|2,0,0]=3 2766 B13R1.6 FCNCCCc1cccc(c1)F 34a_100000754185_100015361967 [0,1,0,0,0,0|2,0,0]=3 2767 B13R1.6 FCNCCOc1cccc(c1)Br 34a_100000743521_100015361967 [0,1,0,0,0,0|3,0,0]=4 2768 B13R1.6 FCNCCOc1cccc(c1)Cl 34a_100000740232_100015361967 [0,1,0,0,0,0|3,0,0]=4 2769 B13R1.6 FCNCCOc1cccc(c1)F 34a_100000738948_100015361967 [0,1,0,0,0,0|3,0,0]=4 2770 B13R1.6 FCOCCCc1cccc(c1)Br 34a_100011709248_100015361967 [0,1,0,0,0,0|2,0,0]=3 2771 B13R1.6 FCOCCCc1cccc(c1)Br 7a_100011709248_100015361967 [0,1,0,0,0,0|2,0,0]=3 2772 B13R1.6 FCOCCCc1cccc(c1)Cl 34a_100011709246_100015361967 [0,1,0,0,0,0|2,0,0]=3 2773 B13R1.6 FCOCCCc1cccc(c1)Cl 7a_100011709246_100015361967 [0,1,0,0,0,0|2,0,0]=3 2774 B13R1.6 FCOCCOc1cccc(c1)Br 34a_100000757546_100015361967 [0,1,0,0,0,0|3,0,0]=4 2775 B13R1.6 FCOCCOc1cccc(c1)Br 7a_100000757546_100015361967 [0,1,0,0,0,0|3,0,0]=4 2776 B13R1.6 FCOCCOc1cccc(c1)Cl 34a_100000230539_100015361967 [0,1,0,0,0,0|3,0,0]=4 2777 B13R1.6 FCOCCOc1cccc(c1)Cl 7a_100000230539_100015361967 [0,1,0,0,0,0|3,0,0]=4 2778 B13R1.6 FCOCCSc1cccc(c1)Br 7a_200011756134_100015361967 [0,1,0,0,0,0|3,0,0]=4 2779 B13R1.6 FCOCCSc1cccc(c1)Cl 34a_200011721761_100015361967 [0,1,0,0,0,0|3,0,0]=4 2780 B13R1.6 FCOCCSc1cccc(c1)Cl 7a_200011721761_100015361967 [0,1,0,0,0,0|3,0,0]=4 2781 B13R1.6 FCOCCSc1cccc(c1)F 34a_200011996949_100015361967 [0,1,0,0,0,0|3,0,0]=4 2782 B13R1.6 FCOCCSc1cccc(c1)F 7a_200011996949_100015361967 [0,1,0,0,0,0|3,0,0]=4 2783 B13R1.6 FCSCCCc1cccc(c1)Br 62a_100011713683_100015361967 [0,1,0,0,0,0|2,0,0]=3 2784 B13R1.6 FCSCCCc1cccc(c1)Br 62a_100015361967_100011713683 [0,1,0,0,0,0|2,0,0]=3 2785 B13R1.6 FCSCCCc1cccc(c1)F 62a_100015361967_200000698031 [0,1,0,0,0,0|2,0,0]=3 2786 B13R1.6 FCSCCCc1cccc(c1)F 62a_200000698031_100015361967 [0,1,0,0,0,0|2,0,0]=3 2787 B13R1.6 FCSCCOc1cccc(c1)Br 62a_100000183150_100015361967 [0,1,0,0,0,0|3,0,0]=4 2788 B13R1.6 FCSCCOc1cccc(c1)Br 62a_100015361967_100000183150 [0,1,0,0,0,0|3,0,0]=4 2789 B13R1.6 FCSCCOc1cccc(c1)Cl 62a_100000181161_100015361967 [0,1,0,0,0,0|3,0,0]=4 2790 B13R1.6 FCSCCOc1cccc(c1)Cl 62a_100015361967_100000181161 [0,1,0,0,0,0|3,0,0]=4 2791 B13R1.6 FCSCCOc1cccc(c1)F 62a_100000739188_100015361967 [0,1,0,0,0,0|3,0,0]=4 2792 B13R1.6 FCSCCOc1cccc(c1)F 62a_100015361967_100000739188 [0,1,0,0,0,0|3,0,0]=4 2793 B13R1.6 Fc1cccc(c1)CCOCCBr 34a_100000211926_100011217235 [0,1,0,0,0,0|2,0,0]=3 2794 B13R1.6 Fc1cccc(c1)COCCCBr 34a_100011217188_100000187166 [0,1,0,0,0,0|2,0,0]=3 2795 B13R1.6 Fc1cccc(c1)COCCCCl 34a_100000230001_100000187166 [0,1,0,0,0,0|2,0,0]=3 2796 B13R1.6 Fc1cccc(n1)COCCCBr 34a_100011217188_100009819644 [0,1,0,0,0,0|3,0,0]=4 2797 B13R1.6 Fc1cccc(n1)COCCCCl 34a_100000230001_100009819644 [0,1,0,0,0,0|3,0,0]=4 2798 B13R1.6 Fc1cncc(c1)COCCCBr 34a_100011217188_100000725299 [0,1,0,0,0,0|3,0,0]=4 2799 B13R1.6 Fc1cncc(c1)COCCCCl 34a_100000230001_100000725299 [0,1,0,0,0,0|3,0,0]=4 2800 B13R1.6 N#CCCCOc1cccc(c1)Br 7a_100000210342_100000687738 [0,1,0,0,0,0|2,0,1]=4 2801 B13R1.6 N#CCCCOc1cccc(c1)Cl 7a_100000210295_100000687738 [0,1,0,0,0,0|2,0,1]=4 2802 B13R1.6 N#CCCCOc1cccc(c1)F 7a_100000210426_100000687738 [0,1,0,0,0,0|2,0,1]=4 2803 B13R1.6 N#CCCCOc1cccc(c1)I 7a_100000211634_100000687738 [0,1,0,0,0,0|2,0,1]=4 2804 B13R1.6 N#CCCCSc1cccc(c1)Br 62a_100000687738_100000691529 [0,1,0,0,0,0|2,0,1]=4 2805 B13R1.6 N#CCCCSc1cccc(c1)Br 62a_100000691529_100000687738 [0,1,0,0,0,0|2,0,1]=4 2806 B13R1.6 N#CCCCSc1cccc(c1)Cl 62a_100000687738_100000699651 [0,1,0,0,0,0|2,0,1]=4 2807 B13R1.6 N#CCCCSc1cccc(c1)Cl 62a_100000699651_100000687738 [0,1,0,0,0,0|2,0,1]=4 2808 B13R1.6 N#CCCCSc1cccc(c1)F 62a_100000685547_100000687738 [0,1,0,0,0,0|2,0,1]=4 2809 B13R1.6 N#CCCCSc1cccc(c1)F 62a_100000687738_100000685547 [0,1,0,0,0,0|2,0,1]=4 2810 B13R1.6 N#CCCCSc1cccc(c1)N 62a_100000210019_100000687738 [0,1,0,0,0,0|2,0,1]=4 2811 B13R1.6 N#CCCCSc1cccc(c1)N 62a_100000687738_100000210019 [0,1,0,0,0,0|2,0,1]=4 2812 B13R1.6 N#CCCCSc1cccc(c1)O 62a_100000687738_100000211634 [0,1,0,0,0,0|2,0,1]=4 2813 B13R1.6 N#CCCCSc1cccc(c1)[S] 62a_100000687738_114929384022 [0,1,0,0,0,0|2,0,1]=4 2814 B13R1.6 N#CCCCSc1cccc(c1)[S] 62a_114929384022_100000687738 [0,1,0,0,0,0|2,0,1]=4 2815 B13R1.6 N#CCCNCc1cccc(c1)Br 2230a_100000174977_100011215226 [0,1,0,0,0,0|2,0,1]=4 2816 B13R1.6 N#CCCNCc1cccc(c1)Br 270004a_100000720768_100000210085 [0,1,0,0,0,0|2,0,1]=4 2817 B13R1.6 N#CCCNCc1cccc(c1)Cl 2230a_100000174878_100011215226 [0,1,0,0,0,0|2,0,1]=4 2818 B13R1.6 N#CCCNCc1cccc(c1)Cl 270004a_100000720768_100000210801 [0,1,0,0,0,0|2,0,1]=4 2819 B13R1.6 N#CCCNCc1cccc(c1)F 2230a_100000174948_100011215226 [0,1,0,0,0,0|2,0,1]=4 2820 B13R1.6 N#CCCNCc1cccc(c1)F 270004a_100000720768_100000210812 [0,1,0,0,0,0|2,0,1]=4 2821 B13R1.6 N#CCCNCc1cccc(c1)I 2230a_100000106179_100011215226 [0,1,0,0,0,0|2,0,1]=4 2822 B13R1.6 N#CCCNCc1cccc(c1)I 270004a_100000720768_100000014684 [0,1,0,0,0,0|2,0,1]=4 2823 B13R1.6 N#CCCNCc1cccc(c1)O 2230a_100000743036_100011215226 [0,1,0,0,0,0|2,0,1]=4 2824 B13R1.6 N#CCCNCc1cccc(c1)O 270004a_100000720768_100000188321 [0,1,0,0,0,0|2,0,1]=4 2825 B13R1.6 N#CCCOCc1cccc(c1)Br 7a_100000687537_100000184422 [0,1,0,0,0,0|2,0,1]=4 2826 B13R1.6 N#CCCOCc1cccc(c1)Cl 7a_100000241301_100000184422 [0,1,0,0,0,0|2,0,1]=4 2827 B13R1.6 N#CCCOCc1cccc(c1)F 7a_100000210976_100000184422 [0,1,0,0,0,0|2,0,1]=4 2828 B13R1.6 N#CCCOCc1cccc(c1)I 7a_100011215336_100000184422 [0,1,0,0,0,0|2,0,1]=4 2829 B13R1.6 N#CCCSCc1cccc(c1)Br 62a_100000211773_100011215226 [0,1,0,0,0,0|2,0,1]=4 2830 B13R1.6 N#CCCSCc1cccc(c1)Br 62a_100011215226_100000211773 [0,1,0,0,0,0|2,0,1]=4 2831 B13R1.6 N#CCCSCc1cccc(c1)Cl 62a_100000187163_100011215226 [0,1,0,0,0,0|2,0,1]=4 2832 B13R1.6 N#CCCSCc1cccc(c1)Cl 62a_100011215226_100000187163 [0,1,0,0,0,0|2,0,1]=4 2833 B13R1.6 N#CCCSCc1cccc(c1)F 62a_100000230114_100011215226 [0,1,0,0,0,0|2,0,1]=4 2834 B13R1.6 N#CCCSCc1cccc(c1)F 62a_100011215226_100000230114 [0,1,0,0,0,0|2,0,1]=4 2835 B13R1.6 N#CCCSCc1cccc(c1)I 62a_100011215226_100011218688 [0,1,0,0,0,0|2,0,1]=4 2836 B13R1.6 N#CCCSCc1cccc(c1)I 62a_100011218688_100011215226 [0,1,0,0,0,0|2,0,1]=4 2837 B13R1.6 N#CCCSCc1cccc(c1)O 62a_100011215226_100011660834 [0,1,0,0,0,0|2,0,1]=4 2838 B13R1.6 N#CCCSCc1cccc(c1)O 62a_100011660834_100011215226 [0,1,0,0,0,0|2,0,1]=4 2839 B13R1.6 N#CCNCCc1cccc(c1)Br 2230a_100011207229_100011215382 [0,1,0,0,0,0|2,0,1]=4 2840 B13R1.6 N#CCNCCc1cccc(c1)Cl 2230a_100000185263_100011215382 [0,1,0,0,0,0|2,0,1]=4 2841 B13R1.6 N#CCNCCc1cccc(c1)F 2230a_100000205154_100011215382 [0,1,0,0,0,0|2,0,1]=4 2842 B13R1.6 N#CCNCCc1cccc(c1)O 2230a_100000747277_100011215382 [0,1,0,0,0,0|2,0,1]=4 2843 B13R1.6 N#CCOCCc1cccc(c1)Br 7a_100011217444_100011215382 [0,1,0,0,0,0|2,0,1]=4 2844 B13R1.6 N#CCOCCc1cccc(c1)Cl 7a_100000754733_100011215382 [0,1,0,0,0,0|2,0,1]=4 2845 B13R1.6 N#CCOCCc1cccc(c1)F 7a_100000763591_100011215382 [0,1,0,0,0,0|2,0,1]=4 2846 B13R1.6 N#CCSCCc1cccc(c1)Br 62a_100011215382_100011740638 [0,1,0,0,0,0|2,0,1]=4 2847 B13R1.6 N#CCSCCc1cccc(c1)Br 62a_100011740638_100011215382 [0,1,0,0,0,0|2,0,1]=4 2848 B13R1.6 N#CCSCCc1cccc(c1)Cl 62a_100011215382_100011713710 [0,1,0,0,0,0|2,0,1]=4 2849 B13R1.6 N#CCSCCc1cccc(c1)Cl 62a_100011713710_100011215382 [0,1,0,0,0,0|2,0,1]=4 2850 B13R1.6 N#CCSCCc1cccc(c1)F 62a_100011215382_100011217235 [0,1,0,0,0,0|2,0,1]=4 2851 B13R1.6 N#CCSCCc1cccc(c1)F 62a_100011217235_100011215382 [0,1,0,0,0,0|2,0,1]=4 2852 B13R1.6 NCCCOCc1cc(ccn1)Br 34a_100000182051_100010173614 [0,1,0,0,0,0|3,0,0]=4 2853 B13R1.6 NCCCOCc1cc(ccn1)Cl 34a_100000182051_100016988179 [0,1,0,0,0,0|3,0,0]=4 2854 B13R1.6 NCCCOCc1cccc(c1)Br 34a_100000182051_100000698116 [0,1,0,0,0,0|2,0,0]=3 2855 B13R1.6 NCCCOCc1cccc(c1)Cl 34a_100000182051_100000187163 [0,1,0,0,0,0|2,0,0]=3 2856 B13R1.6 NCCCOCc1cccc(c1)F 34a_100000182051_100000187166 [0,1,0,0,0,0|2,0,0]=3 2857 B13R1.6 NCCCOCc1cccc(c1)I 34a_100000182051_100011218688 [0,1,0,0,0,0|2,0,0]=3 2858 B13R1.6 NCCCOCc1cccc(c1)O 34a_100000182051_100011660834 [0,1,0,0,0,0|2,0,0]=3 2859 B13R1.6 NCCCOCc1cccc(n1)Br 34a_100000182051_100009889011 [0,1,0,0,0,0|3,0,0]=4 2860 B13R1.6 NCCCOCc1cccc(n1)Cl 34a_100000182051_100000086093 [0,1,0,0,0,0|3,0,0]=4 2861 B13R1.6 NCCCOCc1cccc(n1)F 34a_100000182051_100009819644 [0,1,0,0,0,0|3,0,0]=4 2862 B13R1.6 NCCCOCc1ccnc(c1)Br 34a_100000182051_100010243470 [0,1,0,0,0,0|3,0,0]=4 2863 B13R1.6 NCCCOCc1ccnc(c1)Cl 34a_100000182051_100000764220 [0,1,0,0,0,0|3,0,0]=4 2864 B13R1.6 NCCCOCc1cncc(c1)Br 34a_100000182051_100000738771 [0,1,0,0,0,0|3,0,0]=4 2865 B13R1.6 NCCCOCc1cncc(c1)Cl 34a_100000182051_100016992070 [0,1,0,0,0,0|3,0,0]=4 2866 B13R1.6 NCCCOCc1cncc(c1)F 34a_100000182051_100000725299 [0,1,0,0,0,0|3,0,0]=4 2867 B13R1.6 NCCOCCc1cccc(c1)Br 34a_100000210304_100011740638 [0,1,0,0,0,0|2,0,0]=3 2868 B13R1.6 NCCOCCc1cccc(c1)Cl 34a_100000210304_100011713710 [0,1,0,0,0,0|2,0,0]=3 2869 B13R1.6 NCCOCCc1cccc(c1)F 34a_100000210304_100011217235 [0,1,0,0,0,0|2,0,0]=3 2870 B13R1.6 NOCCOCc1cccc(c1)Br 34a_100000700252_100000698116 [0,1,0,0,0,0|3,0,0]=4 2871 B13R1.6 NOCCOCc1cccc(c1)Cl 34a_100000700252_100000187163 [0,1,0,0,0,0|3,0,0]=4 2872 B13R1.6 NOCCOCc1cccc(c1)F 34a_100000700252_100000187166 [0,1,0,0,0,0|3,0,0]=4 2873 B13R1.6 NOCCOCc1cccc(c1)I 34a_100000700252_100011218688 [0,1,0,0,0,0|3,0,0]=4 2874 B13R1.6 NOCCOCc1cccc(c1)O 34a_100000700252_100011660834 [0,1,0,0,0,0|3,0,0]=4 2875 B13R1.6 Nc1cc(ccn1)OCCCCF 34a_100011834064_100000729493 [0,1,0,0,0,0|3,0,0]=4 2876 B13R1.6 Nc1cc(ccn1)OCCCCO 34a_100011834064_100011216708 [0,1,0,0,0,0|2,0,0]=3 2877 B13R1.6 Nc1cc(ccn1)SCCCCF 62a_100000049665_100000729493 [0,1,0,0,0,0|3,0,0]=4 2878 B13R1.6 Nc1cc(ccn1)SCCCCF 62a_100000729493_100000049665 [0,1,0,0,0,0|3,0,0]=4 2879 B13R1.6 Nc1cc(ccn1)SCCCCO 62a_100000049665_100000210776 [0,1,0,0,0,0|2,0,0]=3 2880 B13R1.6 Nc1cc(ccn1)SCCCCO 62a_100000210776_100000049665 [0,1,0,0,0,0|2,0,0]=3 2881 B13R1.6 Nc1cc(cnn1)OCCCCO 34a_200015193112_100011216708 [0,1,0,0,0,0|3,0,0]=4 2882 B13R1.6 Nc1cc(cnn1)SCCCCO 62a_100000130277_100000210776 [0,1,0,0,0,0|3,0,0]=4 2883 B13R1.6 Nc1cc(cnn1)SCCCCO 62a_100000210776_100000130277 [0,1,0,0,0,0|3,0,0]=4 2884 B13R1.6 Nc1cc(ncn1)NCCCCO 27a_100000750430_100000701291 [0,1,0,0,0,0|3,0,0]=4 2885 B13R1.6 Nc1cc(ncn1)SCCCCO 62a_100000210776_100000701291 [0,1,0,0,0,0|3,0,0]=4 2886 B13R1.6 Nc1cc(ncn1)SCCCCO 62a_100000701291_100000210776 [0,1,0,0,0,0|3,0,0]=4 2887 B13R1.6 Nc1cccc(c1)CCCOCF 34a_200000698965_100015361967 [0,1,0,0,0,0|2,0,0]=3 2888 B13R1.6 Nc1cccc(c1)CCCOCF 7a_200000698965_100015361967 [0,1,0,0,0,0|2,0,0]=3 2889 B13R1.6 Nc1cccc(c1)CCOCC=O 34a_100011996697_200009817547 [0,1,0,0,0,0|1,0,2]=4 2890 B13R1.6 Nc1cccc(c1)CCOCCF 34a_100011996697_100011217306 [0,1,0,0,0,0|2,0,0]=3 2891 B13R1.6 Nc1cccc(c1)CCOCCO 34a_100011996697_100000211926 [0,1,0,0,0,0|1,0,0]=2 2892 B13R1.6 Nc1cccc(c1)COCCCF 34a_100000211919_100011934791 [0,1,0,0,0,0|2,0,0]=3 2893 B13R1.6 Nc1cccc(c1)COCCCO 34a_100000211919_100000230001 [0,1,0,0,0,0|1,0,0]=2 2894 B13R1.6 Nc1cccc(c1)OCC#CCO 34a_100000210217_200000047223 [0,1,0,0,0,0|1,0,2]=4 2895 B13R1.6 Nc1cccc(c1)OCCCCF 34a_100000210217_100000729493 [0,1,0,0,0,0|2,0,0]=3 2896 B13R1.6 Nc1cccc(c1)OCCCCO 34a_100000210217_100011216708 [0,1,0,0,0,0|1,0,0]=2 2897 B13R1.6 Nc1cccc(c1)OCCOCF 34a_100011232151_100015361967 [0,1,0,0,0,0|3,0,0]=4 2898 B13R1.6 Nc1cccc(c1)SCC#CCO 62a_100000210019_200000047223 [0,1,0,0,0,0|1,0,2]=4 2899 B13R1.6 Nc1cccc(c1)SCC#CCO 62a_200000047223_100000210019 [0,1,0,0,0,0|1,0,2]=4 2900 B13R1.6 Nc1cccc(c1)SCCCC=O 62a_100000210019_200011292268 [0,1,0,0,0,0|1,0,2]=4 2901 B13R1.6 Nc1cccc(c1)SCCCC=O 62a_200011292268_100000210019 [0,1,0,0,0,0|1,0,2]=4 2902 B13R1.6 Nc1cccc(c1)SCCCCF 62a_100000210019_100000729493 [0,1,0,0,0,0|2,0,0]=3 2903 B13R1.6 Nc1cccc(c1)SCCCCF 62a_100000729493_100000210019 [0,1,0,0,0,0|2,0,0]=3 2904 B13R1.6 Nc1cccc(c1)SCCCCO 62a_100000210019_100000210776 [0,1,0,0,0,0|1,0,0]=2 2905 B13R1.6 Nc1cccc(c1)SCCCCO 62a_100000210776_100000210019 [0,1,0,0,0,0|1,0,0]=2 2906 B13R1.6 Nc1cccc(n1)SCCCCF 62a_100000729493_100000740741 [0,1,0,0,0,0|3,0,0]=4 2907 B13R1.6 Nc1cccc(n1)SCCCCF 62a_100000740741_100000729493 [0,1,0,0,0,0|3,0,0]=4 2908 B13R1.6 Nc1cccc(n1)SCCCCO 62a_100000210776_100000740741 [0,1,0,0,0,0|2,0,0]=3 2909 B13R1.6 Nc1cccc(n1)SCCCCO 62a_100000740741_100000210776 [0,1,0,0,0,0|2,0,0]=3 2910 B13R1.6 Nc1ccnc(c1)COCCCF 34a_100000692640_100011934791 [0,1,0,0,0,0|3,0,0]=4 2911 B13R1.6 Nc1ccnc(c1)COCCCO 34a_100000692640_100000230001 [0,1,0,0,0,0|2,0,0]=3 2912 B13R1.6 Nc1ccnc(c1)SCCCCF 62a_100000729493_100009814236 [0,1,0,0,0,0|3,0,0]=4 2913 B13R1.6 Nc1ccnc(c1)SCCCCF 62a_100009814236_100000729493 [0,1,0,0,0,0|3,0,0]=4 2914 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100000210776_100009814236 [0,1,0,0,0,0|2,0,0]=3 2915 B13R1.6 Nc1ccnc(c1)SCCCCO 62a_100009814236_100000210776 [0,1,0,0,0,0|2,0,0]=3 2916 B13R1.6 Nc1ccnc(n1)NCCCCO 27a_100000750430_100000757536 [0,1,0,0,0,0|3,0,0]=4 2917 B13R1.6 Nc1ccnc(n1)SCCCCO 62a_100000210776_100000757536 [0,1,0,0,0,0|3,0,0]=4 2918 B13R1.6 Nc1ccnc(n1)SCCCCO 62a_100000757536_100000210776 [0,1,0,0,0,0|3,0,0]=4 2919 B13R1.6 Nc1cncc(c1)COCCCF 34a_100000085308_100011934791 [0,1,0,0,0,0|3,0,0]=4 2920 B13R1.6 Nc1cncc(c1)COCCCO 34a_100000085308_100000230001 [0,1,0,0,0,0|2,0,0]=3 2921 B13R1.6 Nc1cncc(c1)OCCCCF 34a_100011997051_100000729493 [0,1,0,0,0,0|3,0,0]=4 2922 B13R1.6 Nc1cncc(c1)OCCCCO 34a_100011997051_100011216708 [0,1,0,0,0,0|2,0,0]=3 2923 B13R1.6 Nc1cncc(c1)SCCCCF 62a_100000687067_100000729493 [0,1,0,0,0,0|3,0,0]=4 2924 B13R1.6 Nc1cncc(c1)SCCCCF 62a_100000729493_100000687067 [0,1,0,0,0,0|3,0,0]=4 2925 B13R1.6 Nc1cncc(c1)SCCCCO 62a_100000210776_100000687067 [0,1,0,0,0,0|2,0,0]=3 2926 B13R1.6 Nc1cncc(c1)SCCCCO 62a_100000687067_100000210776 [0,1,0,0,0,0|2,0,0]=3 2927 B13R1.6 Nc1cncc(n1)SCCCCO 62a_100000210776_100000747728 [0,1,0,0,0,0|3,0,0]=4 2928 B13R1.6 Nc1cncc(n1)SCCCCO 62a_100000747728_100000210776 [0,1,0,0,0,0|3,0,0]=4 2929 B13R1.6 Nc1cnnc(c1)SCCCCO 62a_100000210776_100011996757 [0,1,0,0,0,0|3,0,0]=4 2930 B13R1.6 Nc1cnnc(c1)SCCCCO 62a_100011996757_100000210776 [0,1,0,0,0,0|3,0,0]=4 2931 B13R1.6 Nc1nccc(n1)NCCCCO 27a_100000750430_100000055538 [0,1,0,0,0,0|3,0,0]=4 2932 B13R1.6 Nc1nccc(n1)SCCCCO 62a_100000055538_100000210776 [0,1,0,0,0,0|3,0,0]=4 2933 B13R1.6 Nc1nccc(n1)SCCCCO 62a_100000210776_100000055538 [0,1,0,0,0,0|3,0,0]=4 2934 B13R1.6 O=CCCCOc1cccc(c1)Br 7a_100000210342_200011292268 [0,1,0,0,0,0|1,0,2]=4 2935 B13R1.6 O=CCCCOc1cccc(c1)Cl 7a_100000210295_200011292268 [0,1,0,0,0,0|1,0,2]=4 2936 B13R1.6 O=CCCCOc1cccc(c1)F 7a_100000210426_200011292268 [0,1,0,0,0,0|1,0,2]=4 2937 B13R1.6 O=CCCCOc1cccc(c1)I 7a_100000211634_200011292268 [0,1,0,0,0,0|1,0,2]=4 2938 B13R1.6 O=CCCCSc1cccc(c1)Br 62a_100000691529_200011292268 [0,1,0,0,0,0|1,0,2]=4 2939 B13R1.6 O=CCCCSc1cccc(c1)Br 62a_200011292268_100000691529 [0,1,0,0,0,0|1,0,2]=4 2940 B13R1.6 O=CCCCSc1cccc(c1)Cl 62a_100000699651_200011292268 [0,1,0,0,0,0|1,0,2]=4 2941 B13R1.6 O=CCCCSc1cccc(c1)Cl 62a_200011292268_100000699651 [0,1,0,0,0,0|1,0,2]=4 2942 B13R1.6 O=CCCCSc1cccc(c1)F 62a_100000685547_200011292268 [0,1,0,0,0,0|1,0,2]=4 2943 B13R1.6 O=CCCCSc1cccc(c1)F 62a_200011292268_100000685547 [0,1,0,0,0,0|1,0,2]=4 2944 B13R1.6 O=CCCCSc1cccc(c1)O 62a_200011292268_100000211634 [0,1,0,0,0,0|1,0,2]=4 2945 B13R1.6 O=CCCCSc1cccc(c1)[S] 62a_114929384022_200011292268 [0,1,0,0,0,0|1,0,2]=4 2946 B13R1.6 O=CCCCSc1cccc(c1)[S] 62a_200011292268_114929384022 [0,1,0,0,0,0|1,0,2]=4 2947 B13R1.6 O=CCNCCc1cccc(c1)Br 2230a_100011207229_200015260668 [0,1,0,0,0,0|1,0,2]=4 2948 B13R1.6 O=CCNCCc1cccc(c1)Br 34a_100011207229_200009817547 [0,1,0,0,0,0|1,0,2]=4 2949 B13R1.6 O=CCNCCc1cccc(c1)Cl 2230a_100000185263_200015260668 [0,1,0,0,0,0|1,0,2]=4 2950 B13R1.6 O=CCNCCc1cccc(c1)Cl 34a_100000185263_200009817547 [0,1,0,0,0,0|1,0,2]=4 2951 B13R1.6 O=CCNCCc1cccc(c1)F 2230a_100000205154_200015260668 [0,1,0,0,0,0|1,0,2]=4 2952 B13R1.6 O=CCNCCc1cccc(c1)F 34a_100000205154_200009817547 [0,1,0,0,0,0|1,0,2]=4 2953 B13R1.6 O=CCNCCc1cccc(c1)O 2230a_100000747277_200015260668 [0,1,0,0,0,0|1,0,2]=4 2954 B13R1.6 O=CCNCCc1cccc(c1)O 34a_100000747277_200009817547 [0,1,0,0,0,0|1,0,2]=4 2955 B13R1.6 O=CCOCCc1cccc(c1)Br 34a_100011217444_200009817547 [0,1,0,0,0,0|1,0,2]=4 2956 B13R1.6 O=CCOCCc1cccc(c1)Br 7a_100011217444_200015260668 [0,1,0,0,0,0|1,0,2]=4 2957 B13R1.6 O=CCOCCc1cccc(c1)Cl 34a_100000754733_200009817547 [0,1,0,0,0,0|1,0,2]=4 2958 B13R1.6 O=CCOCCc1cccc(c1)Cl 7a_100000754733_200015260668 [0,1,0,0,0,0|1,0,2]=4 2959 B13R1.6 O=CCOCCc1cccc(c1)F 34a_100000763591_200009817547 [0,1,0,0,0,0|1,0,2]=4 2960 B13R1.6 O=CCOCCc1cccc(c1)F 7a_100000763591_200015260668 [0,1,0,0,0,0|1,0,2]=4 2961 B13R1.6 O=CCSCCc1cccc(c1)Br 62a_100011740638_200015260668 [0,1,0,0,0,0|1,0,2]=4 2962 B13R1.6 O=CCSCCc1cccc(c1)Br 62a_200015260668_100011740638 [0,1,0,0,0,0|1,0,2]=4 2963 B13R1.6 O=CCSCCc1cccc(c1)Cl 62a_100011713710_200015260668 [0,1,0,0,0,0|1,0,2]=4 2964 B13R1.6 O=CCSCCc1cccc(c1)Cl 62a_200015260668_100011713710 [0,1,0,0,0,0|1,0,2]=4 2965 B13R1.6 O=CCSCCc1cccc(c1)F 62a_100011217235_200015260668 [0,1,0,0,0,0|1,0,2]=4 2966 B13R1.6 O=CCSCCc1cccc(c1)F 62a_200015260668_100011217235 [0,1,0,0,0,0|1,0,2]=4 2967 B13R1.6 O=c1cc(cc[nH]1)NCCCCO 27a_100000750430_100000061649 [0,1,0,0,0,0|2,0,0]=3 2968 B13R1.6 O=c1cc(cc[nH]1)OCCCCF 34a_100000032262_100000729493 [0,1,0,0,0,0|3,0,0]=4 2969 B13R1.6 O=c1cc(cc[nH]1)OCCCCO 34a_100000032262_100011216708 [0,1,0,0,0,0|2,0,0]=3 2970 B13R1.6 O=c1cc(cc[nH]1)SCCCCF 62a_100000729493_100009816521 [0,1,0,0,0,0|3,0,0]=4 2971 B13R1.6 O=c1cc(cc[nH]1)SCCCCF 62a_100009816521_100000729493 [0,1,0,0,0,0|3,0,0]=4 2972 B13R1.6 O=c1cc(cc[nH]1)SCCCCO 62a_100000210776_100009816521 [0,1,0,0,0,0|2,0,0]=3 2973 B13R1.6 O=c1cc(cc[nH]1)SCCCCO 62a_100009816521_100000210776 [0,1,0,0,0,0|2,0,0]=3 2974 B13R1.6 O=c1cc(cn[nH]1)SCCCCO 62a_100000210776_100010197405 [0,1,0,0,0,0|3,0,0]=4 2975 B13R1.6 O=c1cc(nc[nH]1)SCCCCO 62a_100012002517_100000210776 [0,1,0,0,0,0|3,0,0]=4 2976 B13R1.6 O=c1cc[nH]c(c1)SCCCCF 62a_100009817434_100000729493 [0,1,0,0,0,0|3,0,0]=4 2977 B13R1.6 O=c1cc[nH]c(c1)SCCCCO 62a_100009817434_100000210776 [0,1,0,0,0,0|2,0,0]=3 2978 B13R1.6 O=c1cccc([nH]1)CNCCCF 207a_100015189416_100011935257 [0,1,0,0,0,0|3,0,0]=4 2979 B13R1.6 O=c1cccc([nH]1)CNCCCF 2230a_100000696482_100011934791 [0,1,0,0,0,0|3,0,0]=4 2980 B13R1.6 O=c1cccc([nH]1)CNCCCO 207a_100000182051_100011935257 [0,1,0,0,0,0|2,0,0]=3 2981 B13R1.6 O=c1cccc([nH]1)CNCCCO 2230a_100000696482_100000230001 [0,1,0,0,0,0|2,0,0]=3 2982 B13R1.6 O=c1cccc([nH]1)OCCCCF 34a_100000033347_100000729493 [0,1,0,0,0,0|3,0,0]=4 2983 B13R1.6 O=c1cccc([nH]1)OCCCCO 34a_100000033347_100011216708 [0,1,0,0,0,0|2,0,0]=3 2984 B13R1.6 O=c1cccc([nH]1)SCCCCF 62a_100000729493_100000752884 [0,1,0,0,0,0|3,0,0]=4 2985 B13R1.6 O=c1cccc([nH]1)SCCCCO 62a_100000210776_100000752884 [0,1,0,0,0,0|2,0,0]=3 2986 B13R1.6 O=c1nc(cc[nH]1)NCCCCO 27a_100000750430_200000134032 [0,1,0,0,0,0|3,0,0]=4 2987 B13R1.6 O=c1nc(cc[nH]1)SCCCCO 62a_100000210776_200000134032 [0,1,0,0,0,0|3,0,0]=4 2988 B13R1.6 OCC#CCNc1cccc(c1)Br 34a_100000210019_200000047223 [0,1,0,0,0,0|1,0,2]=4 2989 B13R1.6 OCC#CCNc1cccc(c1)Cl 34a_100000185859_200000047223 [0,1,0,0,0,0|1,0,2]=4 2990 B13R1.6 OCC#CCNc1cccc(c1)F 34a_100000210047_200000047223 [0,1,0,0,0,0|1,0,2]=4 2991 B13R1.6 OCC#CCNc1cccc(c1)I 34a_100000211102_200000047223 [0,1,0,0,0,0|1,0,2]=4 2992 B13R1.6 OCC#CCNc1cccc(c1)O 34a_100000210217_200000047223 [0,1,0,0,0,0|1,0,2]=4 2993 B13R1.6 OCC#CCOc1cccc(c1)Br 34a_100000210342_200000047223 [0,1,0,0,0,0|1,0,2]=4 2994 B13R1.6 OCC#CCOc1cccc(c1)Br 7a_100000210342_200000047223 [0,1,0,0,0,0|1,0,2]=4 2995 B13R1.6 OCC#CCOc1cccc(c1)Cl 34a_100000210295_200000047223 [0,1,0,0,0,0|1,0,2]=4 2996 B13R1.6 OCC#CCOc1cccc(c1)Cl 7a_100000210295_200000047223 [0,1,0,0,0,0|1,0,2]=4 2997 B13R1.6 OCC#CCOc1cccc(c1)F 34a_100000210426_200000047223 [0,1,0,0,0,0|1,0,2]=4 2998 B13R1.6 OCC#CCOc1cccc(c1)F 7a_100000210426_200000047223 [0,1,0,0,0,0|1,0,2]=4 2999 B13R1.6 OCC#CCOc1cccc(c1)I 34a_100000211634_200000047223 [0,1,0,0,0,0|1,0,2]=4 3000 B13R1.6 OCC#CCOc1cccc(c1)I 7a_100000211634_200000047223 [0,1,0,0,0,0|1,0,2]=4 3001 B13R1.6 OCC#CCSc1cccc(c1)Br 62a_100000691529_200000047223 [0,1,0,0,0,0|1,0,2]=4 3002 B13R1.6 OCC#CCSc1cccc(c1)Br 62a_200000047223_100000691529 [0,1,0,0,0,0|1,0,2]=4 3003 B13R1.6 OCC#CCSc1cccc(c1)Cl 62a_100000699651_200000047223 [0,1,0,0,0,0|1,0,2]=4 3004 B13R1.6 OCC#CCSc1cccc(c1)Cl 62a_200000047223_100000699651 [0,1,0,0,0,0|1,0,2]=4 3005 B13R1.6 OCC#CCSc1cccc(c1)F 62a_100000685547_200000047223 [0,1,0,0,0,0|1,0,2]=4 3006 B13R1.6 OCC#CCSc1cccc(c1)F 62a_200000047223_100000685547 [0,1,0,0,0,0|1,0,2]=4 3007 B13R1.6 OCC#CCSc1cccc(c1)O 62a_200000047223_100000211634 [0,1,0,0,0,0|1,0,2]=4 3008 B13R1.6 OCC#CCSc1cccc(c1)[S] 62a_114929384022_200000047223 [0,1,0,0,0,0|1,0,2]=4 3009 B13R1.6 OCC#CCSc1cccc(c1)[S] 62a_200000047223_114929384022 [0,1,0,0,0,0|1,0,2]=4 3010 B13R1.6 OCCCCNc1cc(ccn1)F 27a_100000750430_100000764206 [0,1,0,0,0,0|2,0,0]=3 3011 B13R1.6 OCCCCNc1cc(ncn1)F 27a_100000750430_200009880791 [0,1,0,0,0,0|3,0,0]=4 3012 B13R1.6 OCCCCNc1cc(ncn1)O 27a_100000750430_100000765262 [0,1,0,0,0,0|3,0,0]=4 3013 B13R1.6 OCCCCNc1cccc(c1)Br 34a_100000210019_100011216708 [0,1,0,0,0,0|1,0,0]=2 3014 B13R1.6 OCCCCNc1cccc(c1)Cl 34a_100000185859_100011216708 [0,1,0,0,0,0|1,0,0]=2 3015 B13R1.6 OCCCCNc1cccc(c1)F 34a_100000210047_100011216708 [0,1,0,0,0,0|1,0,0]=2 3016 B13R1.6 OCCCCNc1cccc(c1)I 34a_100000211102_100011216708 [0,1,0,0,0,0|1,0,0]=2 3017 B13R1.6 OCCCCNc1cccc(c1)O 34a_100000210217_100011216708 [0,1,0,0,0,0|1,0,0]=2 3018 B13R1.6 OCCCCNc1cccc(n1)F 27a_100000750430_100009815982 [0,1,0,0,0,0|2,0,0]=3 3019 B13R1.6 OCCCCNc1ccnc(c1)F 27a_100000750430_100009816116 [0,1,0,0,0,0|2,0,0]=3 3020 B13R1.6 OCCCCNc1cncc(n1)Cl 27a_100000750430_100010892449 [0,1,0,0,0,0|3,0,0]=4 3021 B13R1.6 OCCCCNc1cncc(n1)F 27a_100000750430_200009863489 [0,1,0,0,0,0|3,0,0]=4 3022 B13R1.6 OCCCCNc1nccc(n1)O 27a_100000750430_100011649813 [0,1,0,0,0,0|3,0,0]=4 3023 B13R1.6 OCCCCOc1cccc(c1)Br 34a_100000210342_100011216708 [0,1,0,0,0,0|1,0,0]=2 3024 B13R1.6 OCCCCOc1cccc(c1)Br 7a_100000210342_100000210776 [0,1,0,0,0,0|1,0,0]=2 3025 B13R1.6 OCCCCOc1cccc(c1)Cl 34a_100000210295_100011216708 [0,1,0,0,0,0|1,0,0]=2 3026 B13R1.6 OCCCCOc1cccc(c1)Cl 7a_100000210295_100000210776 [0,1,0,0,0,0|1,0,0]=2 3027 B13R1.6 OCCCCOc1cccc(c1)F 34a_100000210426_100011216708 [0,1,0,0,0,0|1,0,0]=2 3028 B13R1.6 OCCCCOc1cccc(c1)F 7a_100000210426_100000210776 [0,1,0,0,0,0|1,0,0]=2 3029 B13R1.6 OCCCCOc1cccc(c1)I 34a_100000211634_100011216708 [0,1,0,0,0,0|1,0,0]=2 3030 B13R1.6 OCCCCOc1cccc(c1)I 7a_100000211634_100000210776 [0,1,0,0,0,0|1,0,0]=2 3031 B13R1.6 OCCCCOc1cccc(n1)F 34a_100011432558_100011216708 [0,1,0,0,0,0|2,0,0]=3 3032 B13R1.6 OCCCCOc1ccnc(c1)Cl 34a_100000762945_100011216708 [0,1,0,0,0,0|2,0,0]=3 3033 B13R1.6 OCCCCOc1ccnc(c1)F 34a_100000732698_100011216708 [0,1,0,0,0,0|2,0,0]=3 3034 B13R1.6 OCCCCOc1cncc(c1)Br 34a_100000754920_100011216708 [0,1,0,0,0,0|2,0,0]=3 3035 B13R1.6 OCCCCOc1cncc(c1)Br 7a_100000754920_100000210776 [0,1,0,0,0,0|2,0,0]=3 3036 B13R1.6 OCCCCOc1cncc(c1)Cl 7a_100000032511_100000210776 [0,1,0,0,0,0|2,0,0]=3 3037 B13R1.6 OCCCCOc1cncc(c1)F 34a_100011830296_100011216708 [0,1,0,0,0,0|2,0,0]=3 3038 B13R1.6 OCCCCOc1cncc(c1)F 7a_100011830296_100000210776 [0,1,0,0,0,0|2,0,0]=3 3039 B13R1.6 OCCCCOc1cnnc(c1)Cl 34a_200010734679_100011216708 [0,1,0,0,0,0|3,0,0]=4 3040 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100000210776_100010167805 [0,1,0,0,0,0|2,0,0]=3 3041 B13R1.6 OCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210776 [0,1,0,0,0,0|2,0,0]=3 3042 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000210776_100000764206 [0,1,0,0,0,0|2,0,0]=3 3043 B13R1.6 OCCCCSc1cc(ccn1)F 62a_100000764206_100000210776 [0,1,0,0,0,0|2,0,0]=3 3044 B13R1.6 OCCCCSc1cc(ccn1)O 62a_100000210776_100000762945 [0,1,0,0,0,0|2,0,0]=3 3045 B13R1.6 OCCCCSc1cc(cnn1)O 62a_100000210776_200010734679 [0,1,0,0,0,0|3,0,0]=4 3046 B13R1.6 OCCCCSc1cc(ncn1)Cl 62a_100000210776_100010161198 [0,1,0,0,0,0|3,0,0]=4 3047 B13R1.6 OCCCCSc1cc(ncn1)Cl 62a_100010161198_100000210776 [0,1,0,0,0,0|3,0,0]=4 3048 B13R1.6 OCCCCSc1cc(ncn1)F 62a_100000210776_200009880791 [0,1,0,0,0,0|3,0,0]=4 3049 B13R1.6 OCCCCSc1cc(ncn1)F 62a_200009880791_100000210776 [0,1,0,0,0,0|3,0,0]=4 3050 B13R1.6 OCCCCSc1cc(ncn1)O 62a_100000210776_100000765262 [0,1,0,0,0,0|3,0,0]=4 3051 B13R1.6 OCCCCSc1cccc(c1)Br 62a_100000210776_100000691529 [0,1,0,0,0,0|1,0,0]=2 3052 B13R1.6 OCCCCSc1cccc(c1)Br 62a_100000691529_100000210776 [0,1,0,0,0,0|1,0,0]=2 3053 B13R1.6 OCCCCSc1cccc(c1)Cl 62a_100000210776_100000699651 [0,1,0,0,0,0|1,0,0]=2 3054 B13R1.6 OCCCCSc1cccc(c1)Cl 62a_100000699651_100000210776 [0,1,0,0,0,0|1,0,0]=2 3055 B13R1.6 OCCCCSc1cccc(c1)F 62a_100000210776_100000685547 [0,1,0,0,0,0|1,0,0]=2 3056 B13R1.6 OCCCCSc1cccc(c1)F 62a_100000685547_100000210776 [0,1,0,0,0,0|1,0,0]=2 3057 B13R1.6 OCCCCSc1cccc(c1)O 62a_100000210776_100000211634 [0,1,0,0,0,0|1,0,0]=2 3058 B13R1.6 OCCCCSc1cccc(c1)[S] 62a_100000210776_114929384022 [0,1,0,0,0,0|1,0,0]=2 3059 B13R1.6 OCCCCSc1cccc(c1)[S] 62a_114929384022_100000210776 [0,1,0,0,0,0|1,0,0]=2 3060 B13R1.6 OCCCCSc1cccc(n1)Br 62a_100000210776_100000684672 [0,1,0,0,0,0|2,0,0]=3 3061 B13R1.6 OCCCCSc1cccc(n1)Br 62a_100000684672_100000210776 [0,1,0,0,0,0|2,0,0]=3 3062 B13R1.6 OCCCCSc1cccc(n1)Cl 62a_100000051397_100000210776 [0,1,0,0,0,0|2,0,0]=3 3063 B13R1.6 OCCCCSc1cccc(n1)Cl 62a_100000210776_100000051397 [0,1,0,0,0,0|2,0,0]=3 3064 B13R1.6 OCCCCSc1cccc(n1)F 62a_100000210776_100009815982 [0,1,0,0,0,0|2,0,0]=3 3065 B13R1.6 OCCCCSc1cccc(n1)F 62a_100009815982_100000210776 [0,1,0,0,0,0|2,0,0]=3 3066 B13R1.6 OCCCCSc1ccnc(c1)Br 62a_100000210776_100009814637 [0,1,0,0,0,0|2,0,0]=3 3067 B13R1.6 OCCCCSc1ccnc(c1)Br 62a_100009814637_100000210776 [0,1,0,0,0,0|2,0,0]=3 3068 B13R1.6 OCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210776 [0,1,0,0,0,0|2,0,0]=3 3069 B13R1.6 OCCCCSc1ccnc(c1)Cl 62a_100000210776_100000035001 [0,1,0,0,0,0|2,0,0]=3 3070 B13R1.6 OCCCCSc1ccnc(c1)F 62a_100000210776_100009816116 [0,1,0,0,0,0|2,0,0]=3 3071 B13R1.6 OCCCCSc1ccnc(c1)F 62a_100009816116_100000210776 [0,1,0,0,0,0|2,0,0]=3 3072 B13R1.6 OCCCCSc1ccnc(n1)Cl 62a_100000210776_100010154678 [0,1,0,0,0,0|3,0,0]=4 3073 B13R1.6 OCCCCSc1ccnc(n1)Cl 62a_100010154678_100000210776 [0,1,0,0,0,0|3,0,0]=4 3074 B13R1.6 OCCCCSc1cncc(c1)Br 62a_100000210776_100000728054 [0,1,0,0,0,0|2,0,0]=3 3075 B13R1.6 OCCCCSc1cncc(c1)Br 62a_100000728054_100000210776 [0,1,0,0,0,0|2,0,0]=3 3076 B13R1.6 OCCCCSc1cncc(c1)Cl 62a_100000049639_100000210776 [0,1,0,0,0,0|2,0,0]=3 3077 B13R1.6 OCCCCSc1cncc(c1)Cl 62a_100000210776_100000049639 [0,1,0,0,0,0|2,0,0]=3 3078 B13R1.6 OCCCCSc1cncc(c1)F 62a_100000210776_100000744099 [0,1,0,0,0,0|2,0,0]=3 3079 B13R1.6 OCCCCSc1cncc(c1)F 62a_100000744099_100000210776 [0,1,0,0,0,0|2,0,0]=3 3080 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000210776_100000754920 [0,1,0,0,0,0|2,0,0]=3 3081 B13R1.6 OCCCCSc1cncc(c1)O 62a_100000754920_100000210776 [0,1,0,0,0,0|2,0,0]=3 3082 B13R1.6 OCCCCSc1cncc(n1)Cl 62a_100000210776_100010892449 [0,1,0,0,0,0|3,0,0]=4 3083 B13R1.6 OCCCCSc1cncc(n1)Cl 62a_100010892449_100000210776 [0,1,0,0,0,0|3,0,0]=4 3084 B13R1.6 OCCCCSc1cncc(n1)F 62a_100000210776_200009863489 [0,1,0,0,0,0|3,0,0]=4 3085 B13R1.6 OCCCCSc1cncc(n1)F 62a_200009863489_100000210776 [0,1,0,0,0,0|3,0,0]=4 3086 B13R1.6 OCCCCSc1cncc(n1)O 62a_100000210776_100011269956 [0,1,0,0,0,0|3,0,0]=4 3087 B13R1.6 OCCCCSc1nccc(n1)O 62a_100000210776_100011649813 [0,1,0,0,0,0|3,0,0]=4 3088 B13R1.6 OCCCNCc1cc(ccn1)Br 270004a_100000182051_100009818557 [0,1,0,0,0,0|2,0,0]=3 3089 B13R1.6 OCCCNCc1cc(ccn1)Cl 270004a_100000182051_100011998288 [0,1,0,0,0,0|2,0,0]=3 3090 B13R1.6 OCCCNCc1cccc(c1)Br 207a_100000182051_100000210085 [0,1,0,0,0,0|1,0,0]=2 3091 B13R1.6 OCCCNCc1cccc(c1)Br 2230a_100000174977_100000230001 [0,1,0,0,0,0|1,0,0]=2 3092 B13R1.6 OCCCNCc1cccc(c1)Br 270004a_100000182051_100000210085 [0,1,0,0,0,0|1,0,0]=2 3093 B13R1.6 OCCCNCc1cccc(c1)Br 34a_100000174977_100000230001 [0,1,0,0,0,0|1,0,0]=2 3094 B13R1.6 OCCCNCc1cccc(c1)Cl 207a_100000182051_100000210801 [0,1,0,0,0,0|1,0,0]=2 3095 B13R1.6 OCCCNCc1cccc(c1)Cl 2230a_100000174878_100000230001 [0,1,0,0,0,0|1,0,0]=2 3096 B13R1.6 OCCCNCc1cccc(c1)Cl 270004a_100000182051_100000210801 [0,1,0,0,0,0|1,0,0]=2 3097 B13R1.6 OCCCNCc1cccc(c1)Cl 34a_100000174878_100000230001 [0,1,0,0,0,0|1,0,0]=2 3098 B13R1.6 OCCCNCc1cccc(c1)F 207a_100000182051_100000210812 [0,1,0,0,0,0|1,0,0]=2 3099 B13R1.6 OCCCNCc1cccc(c1)F 2230a_100000174948_100000230001 [0,1,0,0,0,0|1,0,0]=2 3100 B13R1.6 OCCCNCc1cccc(c1)F 270004a_100000182051_100000210812 [0,1,0,0,0,0|1,0,0]=2 3101 B13R1.6 OCCCNCc1cccc(c1)F 34a_100000174948_100000230001 [0,1,0,0,0,0|1,0,0]=2 3102 B13R1.6 OCCCNCc1cccc(c1)I 207a_100000182051_100000014684 [0,1,0,0,0,0|1,0,0]=2 3103 B13R1.6 OCCCNCc1cccc(c1)I 2230a_100000106179_100000230001 [0,1,0,0,0,0|1,0,0]=2 3104 B13R1.6 OCCCNCc1cccc(c1)I 270004a_100000182051_100000014684 [0,1,0,0,0,0|1,0,0]=2 3105 B13R1.6 OCCCNCc1cccc(c1)I 34a_100000106179_100000230001 [0,1,0,0,0,0|1,0,0]=2 3106 B13R1.6 OCCCNCc1cccc(c1)O 207a_100000182051_100000188321 [0,1,0,0,0,0|1,0,0]=2 3107 B13R1.6 OCCCNCc1cccc(c1)O 2230a_100000743036_100000230001 [0,1,0,0,0,0|1,0,0]=2 3108 B13R1.6 OCCCNCc1cccc(c1)O 270004a_100000182051_100000188321 [0,1,0,0,0,0|1,0,0]=2 3109 B13R1.6 OCCCNCc1cccc(c1)O 34a_100000743036_100000230001 [0,1,0,0,0,0|1,0,0]=2 3110 B13R1.6 OCCCNCc1cccc(n1)Br 2230a_100016987751_100000230001 [0,1,0,0,0,0|2,0,0]=3 3111 B13R1.6 OCCCNCc1cccc(n1)Br 270004a_100000182051_100000688028 [0,1,0,0,0,0|2,0,0]=3 3112 B13R1.6 OCCCNCc1cccc(n1)Cl 2230a_100016990191_100000230001 [0,1,0,0,0,0|2,0,0]=3 3113 B13R1.6 OCCCNCc1cccc(n1)Cl 270004a_100000182051_100011361687 [0,1,0,0,0,0|2,0,0]=3 3114 B13R1.6 OCCCNCc1cccc(n1)F 2230a_100015188798_100000230001 [0,1,0,0,0,0|2,0,0]=3 3115 B13R1.6 OCCCNCc1cccc(n1)F 270004a_100000182051_100000050434 [0,1,0,0,0,0|2,0,0]=3 3116 B13R1.6 OCCCNCc1cccc(n1)F 34a_100015188798_100000230001 [0,1,0,0,0,0|2,0,0]=3 3117 B13R1.6 OCCCNCc1ccnc(c1)Br 2230a_100025757509_100000230001 [0,1,0,0,0,0|2,0,0]=3 3118 B13R1.6 OCCCNCc1ccnc(c1)Br 270004a_100000182051_100009814634 [0,1,0,0,0,0|2,0,0]=3 3119 B13R1.6 OCCCNCc1ccnc(c1)Br 34a_100025757509_100000230001 [0,1,0,0,0,0|2,0,0]=3 3120 B13R1.6 OCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000230001 [0,1,0,0,0,0|2,0,0]=3 3121 B13R1.6 OCCCNCc1ccnc(c1)Cl 270004a_100000182051_100011290808 [0,1,0,0,0,0|2,0,0]=3 3122 B13R1.6 OCCCNCc1ccnc(c1)Cl 34a_100015205668_100000230001 [0,1,0,0,0,0|2,0,0]=3 3123 B13R1.6 OCCCNCc1ccnc(c1)F 2230a_100015188774_100000230001 [0,1,0,0,0,0|2,0,0]=3 3124 B13R1.6 OCCCNCc1ccnc(c1)F 270004a_100000182051_100000068331 [0,1,0,0,0,0|2,0,0]=3 3125 B13R1.6 OCCCNCc1ccnc(c1)F 34a_100015188774_100000230001 [0,1,0,0,0,0|2,0,0]=3 3126 B13R1.6 OCCCNCc1ccnc(c1)O 207a_100000182051_100000688113 [0,1,0,0,0,0|2,0,0]=3 3127 B13R1.6 OCCCNCc1cncc(c1)Br 207a_100000182051_100000687066 [0,1,0,0,0,0|2,0,0]=3 3128 B13R1.6 OCCCNCc1cncc(c1)Br 270004a_100000182051_100000687066 [0,1,0,0,0,0|2,0,0]=3 3129 B13R1.6 OCCCNCc1cncc(c1)Cl 207a_100000182051_100000088910 [0,1,0,0,0,0|2,0,0]=3 3130 B13R1.6 OCCCNCc1cncc(c1)Cl 2230a_200020614424_100000230001 [0,1,0,0,0,0|2,0,0]=3 3131 B13R1.6 OCCCNCc1cncc(c1)Cl 270004a_100000182051_100000088910 [0,1,0,0,0,0|2,0,0]=3 3132 B13R1.6 OCCCNCc1cncc(c1)F 207a_100000182051_100011361476 [0,1,0,0,0,0|2,0,0]=3 3133 B13R1.6 OCCCNCc1cncc(c1)F 2230a_100011962886_100000230001 [0,1,0,0,0,0|2,0,0]=3 3134 B13R1.6 OCCCNCc1cncc(c1)F 270004a_100000182051_100011361476 [0,1,0,0,0,0|2,0,0]=3 3135 B13R1.6 OCCCNCc1cncc(c1)F 34a_100011962886_100000230001 [0,1,0,0,0,0|2,0,0]=3 3136 B13R1.6 OCCCNCc1cncc(c1)O 207a_100000182051_100012187055 [0,1,0,0,0,0|2,0,0]=3 3137 B13R1.6 OCCCNCc1cncc(c1)O 270004a_100000182051_100012187055 [0,1,0,0,0,0|2,0,0]=3 3138 B13R1.6 OCCCOCc1cc(ccn1)Cl 34a_100000748867_100000230001 [0,1,0,0,0,0|2,0,0]=3 3139 B13R1.6 OCCCOCc1cccc(c1)Br 34a_100000687537_100000230001 [0,1,0,0,0,0|1,0,0]=2 3140 B13R1.6 OCCCOCc1cccc(c1)Br 7a_100000687537_100011215043 [0,1,0,0,0,0|1,0,0]=2 3141 B13R1.6 OCCCOCc1cccc(c1)Cl 34a_100000241301_100000230001 [0,1,0,0,0,0|1,0,0]=2 3142 B13R1.6 OCCCOCc1cccc(c1)Cl 7a_100000241301_100011215043 [0,1,0,0,0,0|1,0,0]=2 3143 B13R1.6 OCCCOCc1cccc(c1)F 34a_100000210976_100000230001 [0,1,0,0,0,0|1,0,0]=2 3144 B13R1.6 OCCCOCc1cccc(c1)F 7a_100000210976_100011215043 [0,1,0,0,0,0|1,0,0]=2 3145 B13R1.6 OCCCOCc1cccc(c1)I 34a_100011215336_100000230001 [0,1,0,0,0,0|1,0,0]=2 3146 B13R1.6 OCCCOCc1cccc(c1)I 7a_100011215336_100011215043 [0,1,0,0,0,0|1,0,0]=2 3147 B13R1.6 OCCCOCc1cccc(n1)Br 34a_100000694195_100000230001 [0,1,0,0,0,0|2,0,0]=3 3148 B13R1.6 OCCCOCc1cccc(n1)Cl 34a_100011998359_100000230001 [0,1,0,0,0,0|2,0,0]=3 3149 B13R1.6 OCCCOCc1cccc(n1)F 34a_100000086748_100000230001 [0,1,0,0,0,0|2,0,0]=3 3150 B13R1.6 OCCCOCc1ccnc(c1)Br 34a_100009814636_100000230001 [0,1,0,0,0,0|2,0,0]=3 3151 B13R1.6 OCCCOCc1ccnc(c1)Br 7a_100009814636_100011215043 [0,1,0,0,0,0|2,0,0]=3 3152 B13R1.6 OCCCOCc1ccnc(c1)Cl 34a_100000748751_100000230001 [0,1,0,0,0,0|2,0,0]=3 3153 B13R1.6 OCCCOCc1ccnc(c1)F 34a_100000082451_100000230001 [0,1,0,0,0,0|2,0,0]=3 3154 B13R1.6 OCCCOCc1cncc(c1)Br 34a_100011259137_100000230001 [0,1,0,0,0,0|2,0,0]=3 3155 B13R1.6 OCCCOCc1cncc(c1)Br 7a_100011259137_100011215043 [0,1,0,0,0,0|2,0,0]=3 3156 B13R1.6 OCCCOCc1cncc(c1)Cl 34a_100000092867_100000230001 [0,1,0,0,0,0|2,0,0]=3 3157 B13R1.6 OCCCOCc1cncc(c1)Cl 7a_100000092867_100011215043 [0,1,0,0,0,0|2,0,0]=3 3158 B13R1.6 OCCCOCc1cncc(c1)F 34a_100011962875_100000230001 [0,1,0,0,0,0|2,0,0]=3 3159 B13R1.6 OCCCOCc1cncc(c1)F 7a_100011962875_100011215043 [0,1,0,0,0,0|2,0,0]=3 3160 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100010173614_100011215043 [0,1,0,0,0,0|2,0,0]=3 3161 B13R1.6 OCCCSCc1cc(ccn1)Br 62a_100011215043_100010173614 [0,1,0,0,0,0|2,0,0]=3 3162 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100011215043_100016988179 [0,1,0,0,0,0|2,0,0]=3 3163 B13R1.6 OCCCSCc1cc(ccn1)Cl 62a_100016988179_100011215043 [0,1,0,0,0,0|2,0,0]=3 3164 B13R1.6 OCCCSCc1cccc(c1)Br 62a_100000211773_100011215043 [0,1,0,0,0,0|1,0,0]=2 3165 B13R1.6 OCCCSCc1cccc(c1)Br 62a_100011215043_100000211773 [0,1,0,0,0,0|1,0,0]=2 3166 B13R1.6 OCCCSCc1cccc(c1)Cl 62a_100000187163_100011215043 [0,1,0,0,0,0|1,0,0]=2 3167 B13R1.6 OCCCSCc1cccc(c1)Cl 62a_100011215043_100000187163 [0,1,0,0,0,0|1,0,0]=2 3168 B13R1.6 OCCCSCc1cccc(c1)F 62a_100000230114_100011215043 [0,1,0,0,0,0|1,0,0]=2 3169 B13R1.6 OCCCSCc1cccc(c1)F 62a_100011215043_100000230114 [0,1,0,0,0,0|1,0,0]=2 3170 B13R1.6 OCCCSCc1cccc(c1)I 62a_100011215043_100011218688 [0,1,0,0,0,0|1,0,0]=2 3171 B13R1.6 OCCCSCc1cccc(c1)I 62a_100011218688_100011215043 [0,1,0,0,0,0|1,0,0]=2 3172 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011215043_100011660834 [0,1,0,0,0,0|1,0,0]=2 3173 B13R1.6 OCCCSCc1cccc(c1)O 62a_100011660834_100011215043 [0,1,0,0,0,0|1,0,0]=2 3174 B13R1.6 OCCCSCc1cccc(n1)Br 62a_100009889011_100011215043 [0,1,0,0,0,0|2,0,0]=3 3175 B13R1.6 OCCCSCc1cccc(n1)Br 62a_100011215043_100009889011 [0,1,0,0,0,0|2,0,0]=3 3176 B13R1.6 OCCCSCc1cccc(n1)Cl 62a_100000086093_100011215043 [0,1,0,0,0,0|2,0,0]=3 3177 B13R1.6 OCCCSCc1cccc(n1)Cl 62a_100011215043_100000086093 [0,1,0,0,0,0|2,0,0]=3 3178 B13R1.6 OCCCSCc1cccc(n1)F 62a_100009819644_100011215043 [0,1,0,0,0,0|2,0,0]=3 3179 B13R1.6 OCCCSCc1cccc(n1)F 62a_100011215043_100009819644 [0,1,0,0,0,0|2,0,0]=3 3180 B13R1.6 OCCCSCc1ccnc(c1)Br 62a_100010254460_100011215043 [0,1,0,0,0,0|2,0,0]=3 3181 B13R1.6 OCCCSCc1ccnc(c1)Br 62a_100011215043_100010243470 [0,1,0,0,0,0|2,0,0]=3 3182 B13R1.6 OCCCSCc1ccnc(c1)Cl 62a_100000764220_100011215043 [0,1,0,0,0,0|2,0,0]=3 3183 B13R1.6 OCCCSCc1ccnc(c1)Cl 62a_100011215043_100000764220 [0,1,0,0,0,0|2,0,0]=3 3184 B13R1.6 OCCCSCc1ccnc(n1)Cl 62a_100000099655_100011215043 [0,1,0,0,0,0|3,0,0]=4 3185 B13R1.6 OCCCSCc1ccnc(n1)Cl 62a_100011215043_100000099655 [0,1,0,0,0,0|3,0,0]=4 3186 B13R1.6 OCCCSCc1cncc(c1)Br 62a_100000738771_100011215043 [0,1,0,0,0,0|2,0,0]=3 3187 B13R1.6 OCCCSCc1cncc(c1)Br 62a_100011215043_100000738771 [0,1,0,0,0,0|2,0,0]=3 3188 B13R1.6 OCCCSCc1cncc(c1)Cl 62a_100011215043_100016992070 [0,1,0,0,0,0|2,0,0]=3 3189 B13R1.6 OCCCSCc1cncc(c1)Cl 62a_100016992070_100011215043 [0,1,0,0,0,0|2,0,0]=3 3190 B13R1.6 OCCCSCc1cncc(c1)F 62a_100000725299_100011215043 [0,1,0,0,0,0|2,0,0]=3 3191 B13R1.6 OCCCSCc1cncc(c1)F 62a_100011215043_100000725299 [0,1,0,0,0,0|2,0,0]=3 3192 B13R1.6 OCCNCCc1cccc(c1)Br 2230a_100011207229_100000211926 [0,1,0,0,0,0|1,0,0]=2 3193 B13R1.6 OCCNCCc1cccc(c1)Br 2230a_100016997473_100011740638 [0,1,0,0,0,0|1,0,0]=2 3194 B13R1.6 OCCNCCc1cccc(c1)Br 34a_100011207229_100000211926 [0,1,0,0,0,0|1,0,0]=2 3195 B13R1.6 OCCNCCc1cccc(c1)Br 34a_100016990907_100011740638 [0,1,0,0,0,0|1,0,0]=2 3196 B13R1.6 OCCNCCc1cccc(c1)Cl 2230a_100000185263_100000211926 [0,1,0,0,0,0|1,0,0]=2 3197 B13R1.6 OCCNCCc1cccc(c1)Cl 2230a_100016997473_100011713710 [0,1,0,0,0,0|1,0,0]=2 3198 B13R1.6 OCCNCCc1cccc(c1)Cl 34a_100000185263_100000211926 [0,1,0,0,0,0|1,0,0]=2 3199 B13R1.6 OCCNCCc1cccc(c1)Cl 34a_100016990907_100011713710 [0,1,0,0,0,0|1,0,0]=2 3200 B13R1.6 OCCNCCc1cccc(c1)F 2230a_100000205154_100000211926 [0,1,0,0,0,0|1,0,0]=2 3201 B13R1.6 OCCNCCc1cccc(c1)F 2230a_100016997473_100011217235 [0,1,0,0,0,0|1,0,0]=2 3202 B13R1.6 OCCNCCc1cccc(c1)F 34a_100000205154_100000211926 [0,1,0,0,0,0|1,0,0]=2 3203 B13R1.6 OCCNCCc1cccc(c1)F 34a_100016990907_100011217235 [0,1,0,0,0,0|1,0,0]=2 3204 B13R1.6 OCCNCCc1cccc(c1)O 2230a_100000747277_100000211926 [0,1,0,0,0,0|1,0,0]=2 3205 B13R1.6 OCCNCCc1cccc(c1)O 34a_100000747277_100000211926 [0,1,0,0,0,0|1,0,0]=2 3206 B13R1.6 OCCNN=Cc1cccc(c1)Br 4a_100000210001_100000210085 [0,1,0,0,0,0|2,0,1]=4 3207 B13R1.6 OCCNN=Cc1cccc(c1)Cl 4a_100000210001_100000210801 [0,1,0,0,0,0|2,0,1]=4 3208 B13R1.6 OCCNN=Cc1cccc(c1)F 4a_100000210001_100000210812 [0,1,0,0,0,0|2,0,1]=4 3209 B13R1.6 OCCNN=Cc1cccc(c1)I 4a_100000210001_100000014684 [0,1,0,0,0,0|2,0,1]=4 3210 B13R1.6 OCCNN=Cc1cccc(c1)O 4a_100000210001_100000188321 [0,1,0,0,0,0|2,0,1]=4 3211 B13R1.6 OCCOCCc1cccc(c1)Br 34a_100011217444_100000211926 [0,1,0,0,0,0|1,0,0]=2 3212 B13R1.6 OCCOCCc1cccc(c1)Br 7a_100011217444_100000211926 [0,1,0,0,0,0|1,0,0]=2 3213 B13R1.6 OCCOCCc1cccc(c1)Cl 34a_100000754733_100000211926 [0,1,0,0,0,0|1,0,0]=2 3214 B13R1.6 OCCOCCc1cccc(c1)Cl 7a_100000754733_100000211926 [0,1,0,0,0,0|1,0,0]=2 3215 B13R1.6 OCCOCCc1cccc(c1)F 34a_100000763591_100000211926 [0,1,0,0,0,0|1,0,0]=2 3216 B13R1.6 OCCOCCc1cccc(c1)F 7a_100000763591_100000211926 [0,1,0,0,0,0|1,0,0]=2 3217 B13R1.6 OCCOCCc1cccc(n1)Br 34a_100010221043_100000211926 [0,1,0,0,0,0|2,0,0]=3 3218 B13R1.6 OCCOCCc1cccc(n1)Br 7a_100010221043_100000211926 [0,1,0,0,0,0|2,0,0]=3 3219 B13R1.6 OCCSCCc1cccc(c1)Br 62a_100000211926_100011740638 [0,1,0,0,0,0|1,0,0]=2 3220 B13R1.6 OCCSCCc1cccc(c1)Br 62a_100011740638_100000211926 [0,1,0,0,0,0|1,0,0]=2 3221 B13R1.6 OCCSCCc1cccc(c1)Cl 62a_100000211926_100011713710 [0,1,0,0,0,0|1,0,0]=2 3222 B13R1.6 OCCSCCc1cccc(c1)Cl 62a_100011713710_100000211926 [0,1,0,0,0,0|1,0,0]=2 3223 B13R1.6 OCCSCCc1cccc(c1)F 62a_100000211926_100011217235 [0,1,0,0,0,0|1,0,0]=2 3224 B13R1.6 OCCSCCc1cccc(c1)F 62a_100011217235_100000211926 [0,1,0,0,0,0|1,0,0]=2 3225 B13R1.6 Oc1cc(ccn1)CNCCCF 207a_100015189416_100000688113 [0,1,0,0,0,0|3,0,0]=4 3226 B13R1.6 Oc1cccc(c1)CCNCCF 2230a_100000747277_100011217306 [0,1,0,0,0,0|2,0,0]=3 3227 B13R1.6 Oc1cccc(c1)CCNCCF 34a_100000747277_100011217306 [0,1,0,0,0,0|2,0,0]=3 3228 B13R1.6 Oc1cccc(c1)CNCCCF 207a_100015189416_100000188321 [0,1,0,0,0,0|2,0,0]=3 3229 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100000743036_100011934791 [0,1,0,0,0,0|2,0,0]=3 3230 B13R1.6 Oc1cccc(c1)CNCCCF 2230a_100015189416_100011660834 [0,1,0,0,0,0|2,0,0]=3 3231 B13R1.6 Oc1cccc(c1)CNCCCF 270004a_100015189416_100000188321 [0,1,0,0,0,0|2,0,0]=3 3232 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100000743036_100011934791 [0,1,0,0,0,0|2,0,0]=3 3233 B13R1.6 Oc1cccc(c1)CNCCCF 34a_100015189416_100011660834 [0,1,0,0,0,0|2,0,0]=3 3234 B13R1.6 Oc1cccc(c1)COCCCBr 34a_100011217188_100011660834 [0,1,0,0,0,0|2,0,0]=3 3235 B13R1.6 Oc1cccc(c1)COCCCCl 34a_100000230001_100011660834 [0,1,0,0,0,0|2,0,0]=3 3236 B13R1.6 Oc1cccc(c1)COCCCF 34a_100000759539_100011660834 [0,1,0,0,0,0|2,0,0]=3 3237 B13R1.6 Oc1cccc(c1)CSCCCF 62a_100011660834_100011934791 [0,1,0,0,0,0|2,0,0]=3 3238 B13R1.6 Oc1cccc(c1)CSCCCF 62a_100011934791_100011660834 [0,1,0,0,0,0|2,0,0]=3 3239 B13R1.6 Oc1cccc(c1)NCCCCF 34a_100000210217_100000729493 [0,1,0,0,0,0|2,0,0]=3 3240 B13R1.6 Oc1cccc(c1)SCCCCF 62a_100000729493_100000211634 [0,1,0,0,0,0|2,0,0]=3 3241 B13R1.6 Oc1ccnc(c1)SCCCCF 62a_100000729493_100000762945 [0,1,0,0,0,0|3,0,0]=4 3242 B13R1.6 Oc1cncc(c1)CNCCCF 207a_100015189416_100012187055 [0,1,0,0,0,0|3,0,0]=4 3243 B13R1.6 Oc1cncc(c1)CNCCCF 270004a_100015189416_100012187055 [0,1,0,0,0,0|3,0,0]=4 3244 B13R1.6 Oc1cncc(c1)SCCCCF 62a_100000729493_100000754920 [0,1,0,0,0,0|3,0,0]=4 3245 B13R1.6 Oc1cncc(c1)SCCCCF 62a_100000754920_100000729493 [0,1,0,0,0,0|3,0,0]=4 3246 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 2230a_100011220311_200025704644 [0,1,0,0,0,0|3,0,0]=4 3247 B13R1.6 [13CH3]NCCCOc1cccc(c1)Cl 34a_100011220311_200025704644 [0,1,0,0,0,0|3,0,0]=4 3248 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 2230a_100102661586_200025704644 [0,1,0,0,0,0|3,0,0]=4 3249 B13R1.6 [13CH3]NCCCOc1cccc(c1)F 34a_100102661586_200025704644 [0,1,0,0,0,0|3,0,0]=4 3250 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 2230a_200011225440_200025704644 [0,1,0,0,0,0|3,0,0]=4 3251 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 34a_200011225440_200025704644 [0,1,0,0,0,0|3,0,0]=4 3252 B13R1.6 [13CH3]NCCSCc1cccc(c1)Cl 7a_200011225440_200025704644 [0,1,0,0,0,0|3,0,0]=4 3253 B13R1.6 [13CH3]OCCCOc1cccc(c1)F 34a_200011305857_200025704644 [0,1,0,0,0,0|3,0,0]=4 3254 B13R1.6 [13CH3]OCCCOc1cccc(c1)F 7a_200011305857_200025704644 [0,1,0,0,0,0|3,0,0]=4 3255 B13R1.6 [13CH3]OCCNCc1cccc(c1)Cl 34a_100000719050_200025704644 [0,1,0,0,0,0|3,0,0]=4 3256 B13R1.6 [13CH3]OCCSCc1cccc(c1)F 34a_100011212928_200025704644 [0,1,0,0,0,0|3,0,0]=4 3257 B13R1.6 [13CH3]OCCSCc1cccc(c1)F 7a_100011212928_200025704644 [0,1,0,0,0,0|3,0,0]=4 3258 B13R1.6 [13CH3]SCCCOc1cccc(c1)Cl 62a_100000742658_200025704644 [0,1,0,0,0,0|3,0,0]=4 3259 B13R1.6 [13CH3]SCCCOc1cccc(c1)Cl 62a_200025704644_100000742658 [0,1,0,0,0,0|3,0,0]=4 3260 B13R1.6 [O-][n+]1cccc(c1)COCCCF 34a_100000037817_100011934791 [0,1,0,0,0,0|3,0,0]=4 3261 B13R1.6 [O-][n+]1cccc(c1)COCCCF 7a_100000037817_100011934791 [0,1,0,0,0,0|3,0,0]=4 3262 B13R1.6 [O-][n+]1cccc(c1)COCCCO 34a_100000037817_100000230001 [0,1,0,0,0,0|2,0,0]=3 3263 B13R1.6 [O-][n+]1cccc(c1)COCCCO 7a_100000037817_100011215043 [0,1,0,0,0,0|2,0,0]=3 3264 B13R1.6 [O-][n+]1cccc(c1)OCCCCF 34a_100000039713_100000729493 [0,1,0,0,0,0|3,0,0]=4 3265 B13R1.6 [O-][n+]1cccc(c1)OCCCCF 7a_100000039713_100000729493 [0,1,0,0,0,0|3,0,0]=4 3266 B13R1.6 [O-][n+]1cccc(c1)OCCCCO 34a_100000039713_100011216708 [0,1,0,0,0,0|2,0,0]=3 3267 B13R1.6 [O-][n+]1cccc(c1)OCCCCO 7a_100000039713_100000210776 [0,1,0,0,0,0|2,0,0]=3 3268 B13R1.6 [O-][n+]1cccc(c1)SCCCCF 62a_100000729493_100009815978 [0,1,0,0,0,0|3,0,0]=4 3269 B13R1.6 [O-][n+]1cccc(c1)SCCCCO 62a_100000210776_100009815978 [0,1,0,0,0,0|2,0,0]=3 3270 B13R1.6 [O-][n+]1ccnc(c1)NCCCCO 27a_100000750430_100009880115 [0,1,0,0,0,0|3,0,0]=4 3271 B13R1.6 [O-][n+]1ccnc(c1)SCCCCO 62a_100000210776_100009880115 [0,1,0,0,0,0|3,0,0]=4 3272 B13R1.9 BrCCCOCc1ccc(cc1)Br 34a_100011217188_100000189115 [0,1,0,0,0,0|2,0,0]=3 3273 B13R1.9 BrCCCOCc1ccc(cc1)I 34a_100011217188_100000189116 [0,1,0,0,0,0|2,0,0]=3 3274 B13R1.9 BrCCCOCc1ccc(cn1)Br 34a_100011217188_100000702658 [0,1,0,0,0,0|3,0,0]=4 3275 B13R1.9 BrCCCOCc1ccc(nc1)Br 34a_100011217188_100009831999 [0,1,0,0,0,0|3,0,0]=4 3276 B13R1.9 BrCCOCCc1ccc(cc1)Br 34a_100000211926_100011740612 [0,1,0,0,0,0|2,0,0]=3 3277 B13R1.9 C#CCCCNc1ccc(cc1)Br 2230a_100000210018_100000731252 [0,1,0,0,0,0|2,0,1]=4 3278 B13R1.9 C#CCCCNc1ccc(cc1)Br 34a_100000210018_100000695029 [0,1,0,0,0,0|2,0,1]=4 3279 B13R1.9 C#CCCCNc1ccc(cc1)C 34a_100000124888_100000695029 [0,1,0,0,0,0|2,0,1]=4 3280 B13R1.9 C#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000731252 [0,1,0,0,0,0|2,0,1]=4 3281 B13R1.9 C#CCCCNc1ccc(cc1)Cl 34a_100000210052_100000695029 [0,1,0,0,0,0|2,0,1]=4 3282 B13R1.9 C#CCCCNc1ccc(cc1)F 34a_100000185862_100000695029 [0,1,0,0,0,0|2,0,1]=4 3283 B13R1.9 C#CCCCNc1ccc(cc1)I 34a_100000185761_100000695029 [0,1,0,0,0,0|2,0,1]=4 3284 B13R1.9 C#CCCCNc1ccc(cc1)O 34a_100000185829_100000695029 [0,1,0,0,0,0|2,0,1]=4 3285 B13R1.9 C#CCCCOc1ccc(cc1)Br 34a_100000185759_100000695029 [0,1,0,0,0,0|2,0,1]=4 3286 B13R1.9 C#CCCCOc1ccc(cc1)Br 7a_100000185759_100011215417 [0,1,0,0,0,0|2,0,1]=4 3287 B13R1.9 C#CCCCOc1ccc(cc1)C 34a_100000210336_100000695029 [0,1,0,0,0,0|2,0,1]=4 3288 B13R1.9 C#CCCCOc1ccc(cc1)C 7a_100000210336_100011215417 [0,1,0,0,0,0|2,0,1]=4 3289 B13R1.9 C#CCCCOc1ccc(cc1)Cl 34a_100000210216_100000695029 [0,1,0,0,0,0|2,0,1]=4 3290 B13R1.9 C#CCCCOc1ccc(cc1)Cl 7a_100000210216_100011215417 [0,1,0,0,0,0|2,0,1]=4 3291 B13R1.9 C#CCCCOc1ccc(cc1)F 34a_100000210339_100000695029 [0,1,0,0,0,0|2,0,1]=4 3292 B13R1.9 C#CCCCOc1ccc(cc1)I 34a_100000212066_100000695029 [0,1,0,0,0,0|2,0,1]=4 3293 B13R1.9 C#CCCCOc1ccc(cc1)I 7a_100000212066_100011215417 [0,1,0,0,0,0|2,0,1]=4 3294 B13R1.9 C#CCCCOc1ccc(cc1)N 34a_100000185829_100000695029 [0,1,0,0,0,0|2,0,1]=4 3295 B13R1.9 C#CCCCSc1ccc(cc1)Br 62a_100000752885_100011215417 [0,1,0,0,0,0|2,0,1]=4 3296 B13R1.9 C#CCCCSc1ccc(cc1)Br 62a_100011215417_100000752885 [0,1,0,0,0,0|2,0,1]=4 3297 B13R1.9 C#CCCCSc1ccc(cc1)C 62a_100000186775_100011215417 [0,1,0,0,0,0|2,0,1]=4 3298 B13R1.9 C#CCCCSc1ccc(cc1)C 62a_100011215417_100000186775 [0,1,0,0,0,0|2,0,1]=4 3299 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100000755918_100011215417 [0,1,0,0,0,0|2,0,1]=4 3300 B13R1.9 C#CCCCSc1ccc(cc1)Cl 62a_100011215417_100000755918 [0,1,0,0,0,0|2,0,1]=4 3301 B13R1.9 C#CCCCSc1ccc(cc1)F 62a_100000211213_100011215417 [0,1,0,0,0,0|2,0,1]=4 3302 B13R1.9 C#CCCCSc1ccc(cc1)F 62a_100011215417_100000211213 [0,1,0,0,0,0|2,0,1]=4 3303 B13R1.9 C#CCCCSc1ccc(cc1)N 62a_100000185761_100011215417 [0,1,0,0,0,0|2,0,1]=4 3304 B13R1.9 C#CCCCSc1ccc(cc1)N 62a_100011215417_100000185761 [0,1,0,0,0,0|2,0,1]=4 3305 B13R1.9 C#CCCCSc1ccc(cc1)O 62a_100011215417_100000185759 [0,1,0,0,0,0|2,0,1]=4 3306 B13R1.9 C#CCCNCc1ccc(cc1)Br 2230a_100000174875_100000688953 [0,1,0,0,0,0|2,0,1]=4 3307 B13R1.9 C#CCCNCc1ccc(cc1)Br 34a_100000174875_100000688953 [0,1,0,0,0,0|2,0,1]=4 3308 B13R1.9 C#CCCNCc1ccc(cc1)Br 34a_100000755551_100000189115 [0,1,0,0,0,0|2,0,1]=4 3309 B13R1.9 C#CCCNCc1ccc(cc1)C 2230a_100000174908_100000688953 [0,1,0,0,0,0|2,0,1]=4 3310 B13R1.9 C#CCCNCc1ccc(cc1)C 34a_100000174908_100000688953 [0,1,0,0,0,0|2,0,1]=4 3311 B13R1.9 C#CCCNCc1ccc(cc1)C 34a_100000755551_100000210814 [0,1,0,0,0,0|2,0,1]=4 3312 B13R1.9 C#CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000688953 [0,1,0,0,0,0|2,0,1]=4 3313 B13R1.9 C#CCCNCc1ccc(cc1)Cl 34a_100000174871_100000688953 [0,1,0,0,0,0|2,0,1]=4 3314 B13R1.9 C#CCCNCc1ccc(cc1)Cl 34a_100000755551_100000694040 [0,1,0,0,0,0|2,0,1]=4 3315 B13R1.9 C#CCCNCc1ccc(cc1)F 2230a_100000174882_100000688953 [0,1,0,0,0,0|2,0,1]=4 3316 B13R1.9 C#CCCNCc1ccc(cc1)F 34a_100000174882_100000688953 [0,1,0,0,0,0|2,0,1]=4 3317 B13R1.9 C#CCCNCc1ccc(cc1)F 34a_100000755551_100000198546 [0,1,0,0,0,0|2,0,1]=4 3318 B13R1.9 C#CCCNCc1ccc(cc1)I 2230a_100016989417_100000688953 [0,1,0,0,0,0|2,0,1]=4 3319 B13R1.9 C#CCCNCc1ccc(cc1)I 34a_100000755551_100000189116 [0,1,0,0,0,0|2,0,1]=4 3320 B13R1.9 C#CCCNCc1ccc(cc1)I 34a_100016989417_100000688953 [0,1,0,0,0,0|2,0,1]=4 3321 B13R1.9 C#CCCNCc1ccc(cc1)O 34a_100000185549_100000688953 [0,1,0,0,0,0|2,0,1]=4 3322 B13R1.9 C#CCCOCc1ccc(cc1)Br 34a_100000695286_100000688953 [0,1,0,0,0,0|2,0,1]=4 3323 B13R1.9 C#CCCOCc1ccc(cc1)Br 34a_100011215631_100000189115 [0,1,0,0,0,0|2,0,1]=4 3324 B13R1.9 C#CCCOCc1ccc(cc1)C 34a_100011215236_100000688953 [0,1,0,0,0,0|2,0,1]=4 3325 B13R1.9 C#CCCOCc1ccc(cc1)C 34a_100011215631_100000210814 [0,1,0,0,0,0|2,0,1]=4 3326 B13R1.9 C#CCCOCc1ccc(cc1)C 7a_100011215236_100000688953 [0,1,0,0,0,0|2,0,1]=4 3327 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100000211118_100000688953 [0,1,0,0,0,0|2,0,1]=4 3328 B13R1.9 C#CCCOCc1ccc(cc1)Cl 34a_100011215631_100000694040 [0,1,0,0,0,0|2,0,1]=4 3329 B13R1.9 C#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000688953 [0,1,0,0,0,0|2,0,1]=4 3330 B13R1.9 C#CCCOCc1ccc(cc1)F 34a_100000210977_100000688953 [0,1,0,0,0,0|2,0,1]=4 3331 B13R1.9 C#CCCOCc1ccc(cc1)F 34a_100011215631_100000198546 [0,1,0,0,0,0|2,0,1]=4 3332 B13R1.9 C#CCCOCc1ccc(cc1)F 7a_100000210977_100000688953 [0,1,0,0,0,0|2,0,1]=4 3333 B13R1.9 C#CCCOCc1ccc(cc1)I 34a_100000690907_100000688953 [0,1,0,0,0,0|2,0,1]=4 3334 B13R1.9 C#CCCOCc1ccc(cc1)I 34a_100011215631_100000189116 [0,1,0,0,0,0|2,0,1]=4 3335 B13R1.9 C#CCCOCc1ccc(cc1)I 7a_100000690907_100000688953 [0,1,0,0,0,0|2,0,1]=4 3336 B13R1.9 C#CCCOCc1ccc(cc1)N 34a_100011215238_100000688953 [0,1,0,0,0,0|2,0,1]=4 3337 B13R1.9 C#CCCSCc1ccc(cc1)Br 62a_100000189115_100000688953 [0,1,0,0,0,0|2,0,1]=4 3338 B13R1.9 C#CCCSCc1ccc(cc1)Br 62a_100000688953_100000189115 [0,1,0,0,0,0|2,0,1]=4 3339 B13R1.9 C#CCCSCc1ccc(cc1)C 62a_100000210814_100000688953 [0,1,0,0,0,0|2,0,1]=4 3340 B13R1.9 C#CCCSCc1ccc(cc1)C 62a_100000688953_100000210814 [0,1,0,0,0,0|2,0,1]=4 3341 B13R1.9 C#CCCSCc1ccc(cc1)Cl 62a_100000187161_100000688953 [0,1,0,0,0,0|2,0,1]=4 3342 B13R1.9 C#CCCSCc1ccc(cc1)Cl 62a_100000688953_100000187161 [0,1,0,0,0,0|2,0,1]=4 3343 B13R1.9 C#CCCSCc1ccc(cc1)F 62a_100000198546_100000688953 [0,1,0,0,0,0|2,0,1]=4 3344 B13R1.9 C#CCCSCc1ccc(cc1)F 62a_100000688953_100000187164 [0,1,0,0,0,0|2,0,1]=4 3345 B13R1.9 C#CCCSCc1ccc(cc1)I 62a_100000189116_100000688953 [0,1,0,0,0,0|2,0,1]=4 3346 B13R1.9 C#CCCSCc1ccc(cc1)I 62a_100000688953_100000189116 [0,1,0,0,0,0|2,0,1]=4 3347 B13R1.9 C#CCNCCc1ccc(cc1)Br 2230a_100000755846_100000038162 [0,1,0,0,0,0|2,0,1]=4 3348 B13R1.9 C#CCNCCc1ccc(cc1)Br 34a_100000212058_100011740612 [0,1,0,0,0,0|2,0,1]=4 3349 B13R1.9 C#CCNCCc1ccc(cc1)Br 34a_100000755846_100000184674 [0,1,0,0,0,0|2,0,1]=4 3350 B13R1.9 C#CCNCCc1ccc(cc1)C 2230a_100000705350_100000038162 [0,1,0,0,0,0|2,0,1]=4 3351 B13R1.9 C#CCNCCc1ccc(cc1)C 34a_100000212058_100011713686 [0,1,0,0,0,0|2,0,1]=4 3352 B13R1.9 C#CCNCCc1ccc(cc1)C 34a_100000705350_100000184674 [0,1,0,0,0,0|2,0,1]=4 3353 B13R1.9 C#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000038162 [0,1,0,0,0,0|2,0,1]=4 3354 B13R1.9 C#CCNCCc1ccc(cc1)Cl 34a_100000185265_100000184674 [0,1,0,0,0,0|2,0,1]=4 3355 B13R1.9 C#CCNCCc1ccc(cc1)Cl 34a_100000212058_100011713675 [0,1,0,0,0,0|2,0,1]=4 3356 B13R1.9 C#CCNCCc1ccc(cc1)F 2230a_100000199005_100000038162 [0,1,0,0,0,0|2,0,1]=4 3357 B13R1.9 C#CCNCCc1ccc(cc1)F 34a_100000199005_100000184674 [0,1,0,0,0,0|2,0,1]=4 3358 B13R1.9 C#CCNCCc1ccc(cc1)F 34a_100000212058_100011217392 [0,1,0,0,0,0|2,0,1]=4 3359 B13R1.9 C#CCNCCc1ccc(cc1)O 34a_100000743037_100000184674 [0,1,0,0,0,0|2,0,1]=4 3360 B13R1.9 C#CCOCCc1ccc(cc1)Br 34a_100000210247_100011740612 [0,1,0,0,0,0|2,0,1]=4 3361 B13R1.9 C#CCOCCc1ccc(cc1)Br 34a_100000766406_100000184674 [0,1,0,0,0,0|2,0,1]=4 3362 B13R1.9 C#CCOCCc1ccc(cc1)Br 7a_100000766406_100000038162 [0,1,0,0,0,0|2,0,1]=4 3363 B13R1.9 C#CCOCCc1ccc(cc1)C 34a_100000210247_100011713686 [0,1,0,0,0,0|2,0,1]=4 3364 B13R1.9 C#CCOCCc1ccc(cc1)C 34a_100000756670_100000184674 [0,1,0,0,0,0|2,0,1]=4 3365 B13R1.9 C#CCOCCc1ccc(cc1)C 7a_100000756670_100000038162 [0,1,0,0,0,0|2,0,1]=4 3366 B13R1.9 C#CCOCCc1ccc(cc1)Cl 34a_100000210247_100011713675 [0,1,0,0,0,0|2,0,1]=4 3367 B13R1.9 C#CCOCCc1ccc(cc1)Cl 34a_100011219627_100000184674 [0,1,0,0,0,0|2,0,1]=4 3368 B13R1.9 C#CCOCCc1ccc(cc1)Cl 7a_100011219627_100000038162 [0,1,0,0,0,0|2,0,1]=4 3369 B13R1.9 C#CCOCCc1ccc(cc1)F 34a_100000210247_100011217392 [0,1,0,0,0,0|2,0,1]=4 3370 B13R1.9 C#CCOCCc1ccc(cc1)F 34a_100000754732_100000184674 [0,1,0,0,0,0|2,0,1]=4 3371 B13R1.9 C#CCOCCc1ccc(cc1)F 7a_100000754732_100000038162 [0,1,0,0,0,0|2,0,1]=4 3372 B13R1.9 C#CCOCCc1ccc(cc1)I 34a_100012291149_100000184674 [0,1,0,0,0,0|2,0,1]=4 3373 B13R1.9 C#CCOCCc1ccc(cc1)I 7a_100012291149_100000038162 [0,1,0,0,0,0|2,0,1]=4 3374 B13R1.9 C#CCOCCc1ccc(cc1)N 34a_100011204434_100000184674 [0,1,0,0,0,0|2,0,1]=4 3375 B13R1.9 C#CCSCCc1ccc(cc1)Br 62a_100000038162_100011740612 [0,1,0,0,0,0|2,0,1]=4 3376 B13R1.9 C#CCSCCc1ccc(cc1)C 62a_100000038162_100011713686 [0,1,0,0,0,0|2,0,1]=4 3377 B13R1.9 C#CCSCCc1ccc(cc1)Cl 62a_100000038162_100011713675 [0,1,0,0,0,0|2,0,1]=4 3378 B13R1.9 C#CCSCCc1ccc(cc1)F 62a_100000038162_100011217392 [0,1,0,0,0,0|2,0,1]=4 3379 B13R1.9 C#CCSCCc1ccc(cc1)O 62a_100000038162_100009816426 [0,1,0,0,0,0|2,0,1]=4 3380 B13R1.9 C=CCCCNc1ccc(cc1)Br 2230a_100000210018_100011713584 [0,1,0,0,0,0|2,0,1]=4 3381 B13R1.9 C=CCCCNc1ccc(cc1)Br 34a_100000210018_100000757094 [0,1,0,0,0,0|2,0,1]=4 3382 B13R1.9 C=CCCCNc1ccc(cc1)C 34a_100000124888_100000757094 [0,1,0,0,0,0|2,0,1]=4 3383 B13R1.9 C=CCCCNc1ccc(cc1)Cl 2230a_100000210052_100011713584 [0,1,0,0,0,0|2,0,1]=4 3384 B13R1.9 C=CCCCNc1ccc(cc1)Cl 34a_100000210052_100000757094 [0,1,0,0,0,0|2,0,1]=4 3385 B13R1.9 C=CCCCNc1ccc(cc1)F 34a_100000185862_100000757094 [0,1,0,0,0,0|2,0,1]=4 3386 B13R1.9 C=CCCCNc1ccc(cc1)I 34a_100000185761_100000757094 [0,1,0,0,0,0|2,0,1]=4 3387 B13R1.9 C=CCCCNc1ccc(cc1)O 34a_100000185829_100000757094 [0,1,0,0,0,0|2,0,1]=4 3388 B13R1.9 C=CCCCOc1ccc(cc1)Br 34a_100000185759_100000757094 [0,1,0,0,0,0|2,0,1]=4 3389 B13R1.9 C=CCCCOc1ccc(cc1)Br 7a_100000185759_100000757094 [0,1,0,0,0,0|2,0,1]=4 3390 B13R1.9 C=CCCCOc1ccc(cc1)C 34a_100000210336_100000757094 [0,1,0,0,0,0|2,0,1]=4 3391 B13R1.9 C=CCCCOc1ccc(cc1)C 7a_100000210336_100000757094 [0,1,0,0,0,0|2,0,1]=4 3392 B13R1.9 C=CCCCOc1ccc(cc1)Cl 34a_100000210216_100000757094 [0,1,0,0,0,0|2,0,1]=4 3393 B13R1.9 C=CCCCOc1ccc(cc1)Cl 7a_100000210216_100000757094 [0,1,0,0,0,0|2,0,1]=4 3394 B13R1.9 C=CCCCOc1ccc(cc1)F 34a_100000210339_100000757094 [0,1,0,0,0,0|2,0,1]=4 3395 B13R1.9 C=CCCCOc1ccc(cc1)I 34a_100000212066_100000757094 [0,1,0,0,0,0|2,0,1]=4 3396 B13R1.9 C=CCCCOc1ccc(cc1)I 7a_100000212066_100000757094 [0,1,0,0,0,0|2,0,1]=4 3397 B13R1.9 C=CCCCOc1ccc(cc1)N 34a_100000185829_100000757094 [0,1,0,0,0,0|2,0,1]=4 3398 B13R1.9 C=CCCCSc1ccc(cc1)Br 62a_100000752885_100000757094 [0,1,0,0,0,0|2,0,1]=4 3399 B13R1.9 C=CCCCSc1ccc(cc1)Br 62a_100011713584_100000752885 [0,1,0,0,0,0|2,0,1]=4 3400 B13R1.9 C=CCCCSc1ccc(cc1)C 62a_100000186775_100000757094 [0,1,0,0,0,0|2,0,1]=4 3401 B13R1.9 C=CCCCSc1ccc(cc1)C 62a_100011713584_100000186775 [0,1,0,0,0,0|2,0,1]=4 3402 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100000755918_100000757094 [0,1,0,0,0,0|2,0,1]=4 3403 B13R1.9 C=CCCCSc1ccc(cc1)Cl 62a_100011713584_100000755918 [0,1,0,0,0,0|2,0,1]=4 3404 B13R1.9 C=CCCCSc1ccc(cc1)F 62a_100000211213_100000757094 [0,1,0,0,0,0|2,0,1]=4 3405 B13R1.9 C=CCCCSc1ccc(cc1)F 62a_100011713584_100000211213 [0,1,0,0,0,0|2,0,1]=4 3406 B13R1.9 C=CCCCSc1ccc(cc1)N 62a_100000185761_100000757094 [0,1,0,0,0,0|2,0,1]=4 3407 B13R1.9 C=CCCCSc1ccc(cc1)N 62a_100011713584_100000185761 [0,1,0,0,0,0|2,0,1]=4 3408 B13R1.9 C=CCCCSc1ccc(cc1)O 62a_100011713584_100000185759 [0,1,0,0,0,0|2,0,1]=4 3409 B13R1.9 C=CCCNCc1ccc(cc1)Br 207a_100015191253_100000186029 [0,1,0,0,0,0|2,0,1]=4 3410 B13R1.9 C=CCCNCc1ccc(cc1)Br 2230a_100000174875_100000754431 [0,1,0,0,0,0|2,0,1]=4 3411 B13R1.9 C=CCCNCc1ccc(cc1)Br 2230a_100015191253_100011217064 [0,1,0,0,0,0|2,0,1]=4 3412 B13R1.9 C=CCCNCc1ccc(cc1)Br 270004a_100015191253_100000186029 [0,1,0,0,0,0|2,0,1]=4 3413 B13R1.9 C=CCCNCc1ccc(cc1)Br 34a_100000174875_100000754431 [0,1,0,0,0,0|2,0,1]=4 3414 B13R1.9 C=CCCNCc1ccc(cc1)C 207a_100015191253_100000211033 [0,1,0,0,0,0|2,0,1]=4 3415 B13R1.9 C=CCCNCc1ccc(cc1)C 2230a_100000174908_100000754431 [0,1,0,0,0,0|2,0,1]=4 3416 B13R1.9 C=CCCNCc1ccc(cc1)C 2230a_100015191253_100000210814 [0,1,0,0,0,0|2,0,1]=4 3417 B13R1.9 C=CCCNCc1ccc(cc1)C 270004a_100015191253_100000211033 [0,1,0,0,0,0|2,0,1]=4 3418 B13R1.9 C=CCCNCc1ccc(cc1)C 34a_100000174908_100000754431 [0,1,0,0,0,0|2,0,1]=4 3419 B13R1.9 C=CCCNCc1ccc(cc1)Cl 207a_100015191253_100000189385 [0,1,0,0,0,0|2,0,1]=4 3420 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000754431 [0,1,0,0,0,0|2,0,1]=4 3421 B13R1.9 C=CCCNCc1ccc(cc1)Cl 2230a_100015191253_100000694040 [0,1,0,0,0,0|2,0,1]=4 3422 B13R1.9 C=CCCNCc1ccc(cc1)Cl 270004a_100015191253_100000189385 [0,1,0,0,0,0|2,0,1]=4 3423 B13R1.9 C=CCCNCc1ccc(cc1)Cl 34a_100000174871_100000754431 [0,1,0,0,0,0|2,0,1]=4 3424 B13R1.9 C=CCCNCc1ccc(cc1)F 207a_100015191253_100000210084 [0,1,0,0,0,0|2,0,1]=4 3425 B13R1.9 C=CCCNCc1ccc(cc1)F 2230a_100000174882_100000754431 [0,1,0,0,0,0|2,0,1]=4 3426 B13R1.9 C=CCCNCc1ccc(cc1)F 2230a_100015191253_100000198546 [0,1,0,0,0,0|2,0,1]=4 3427 B13R1.9 C=CCCNCc1ccc(cc1)F 270004a_100015191253_100000210084 [0,1,0,0,0,0|2,0,1]=4 3428 B13R1.9 C=CCCNCc1ccc(cc1)F 34a_100000174882_100000754431 [0,1,0,0,0,0|2,0,1]=4 3429 B13R1.9 C=CCCNCc1ccc(cc1)I 207a_100015191253_100000188517 [0,1,0,0,0,0|2,0,1]=4 3430 B13R1.9 C=CCCNCc1ccc(cc1)I 2230a_100015191253_100000189116 [0,1,0,0,0,0|2,0,1]=4 3431 B13R1.9 C=CCCNCc1ccc(cc1)I 2230a_100016989417_100000754431 [0,1,0,0,0,0|2,0,1]=4 3432 B13R1.9 C=CCCNCc1ccc(cc1)I 34a_100016989417_100000754431 [0,1,0,0,0,0|2,0,1]=4 3433 B13R1.9 C=CCCNCc1ccc(cc1)O 34a_100000185549_100000754431 [0,1,0,0,0,0|2,0,1]=4 3434 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100000695286_100000754431 [0,1,0,0,0,0|2,0,1]=4 3435 B13R1.9 C=CCCOCc1ccc(cc1)Br 34a_100011205117_100000189115 [0,1,0,0,0,0|2,0,1]=4 3436 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011205117_100000210814 [0,1,0,0,0,0|2,0,1]=4 3437 B13R1.9 C=CCCOCc1ccc(cc1)C 34a_100011215236_100000754431 [0,1,0,0,0,0|2,0,1]=4 3438 B13R1.9 C=CCCOCc1ccc(cc1)C 7a_100011215236_100000754431 [0,1,0,0,0,0|2,0,1]=4 3439 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100000211118_100000754431 [0,1,0,0,0,0|2,0,1]=4 3440 B13R1.9 C=CCCOCc1ccc(cc1)Cl 34a_100011205117_100000694040 [0,1,0,0,0,0|2,0,1]=4 3441 B13R1.9 C=CCCOCc1ccc(cc1)Cl 7a_100000211118_100000754431 [0,1,0,0,0,0|2,0,1]=4 3442 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100000210977_100000754431 [0,1,0,0,0,0|2,0,1]=4 3443 B13R1.9 C=CCCOCc1ccc(cc1)F 34a_100011205117_100000198546 [0,1,0,0,0,0|2,0,1]=4 3444 B13R1.9 C=CCCOCc1ccc(cc1)F 7a_100000210977_100000754431 [0,1,0,0,0,0|2,0,1]=4 3445 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100000690907_100000754431 [0,1,0,0,0,0|2,0,1]=4 3446 B13R1.9 C=CCCOCc1ccc(cc1)I 34a_100011205117_100000189116 [0,1,0,0,0,0|2,0,1]=4 3447 B13R1.9 C=CCCOCc1ccc(cc1)I 7a_100000690907_100000754431 [0,1,0,0,0,0|2,0,1]=4 3448 B13R1.9 C=CCCOCc1ccc(cc1)N 34a_100011215238_100000754431 [0,1,0,0,0,0|2,0,1]=4 3449 B13R1.9 C=CCCSCc1ccc(cc1)Br 62a_100000189115_100000754431 [0,1,0,0,0,0|2,0,1]=4 3450 B13R1.9 C=CCCSCc1ccc(cc1)Br 62a_100000754431_100000189115 [0,1,0,0,0,0|2,0,1]=4 3451 B13R1.9 C=CCCSCc1ccc(cc1)C 62a_100000210814_100000754431 [0,1,0,0,0,0|2,0,1]=4 3452 B13R1.9 C=CCCSCc1ccc(cc1)C 62a_100000754431_100000210814 [0,1,0,0,0,0|2,0,1]=4 3453 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000187161_100000754431 [0,1,0,0,0,0|2,0,1]=4 3454 B13R1.9 C=CCCSCc1ccc(cc1)Cl 62a_100000754431_100000187161 [0,1,0,0,0,0|2,0,1]=4 3455 B13R1.9 C=CCCSCc1ccc(cc1)F 62a_100000198546_100000754431 [0,1,0,0,0,0|2,0,1]=4 3456 B13R1.9 C=CCCSCc1ccc(cc1)F 62a_100000754431_100000187164 [0,1,0,0,0,0|2,0,1]=4 3457 B13R1.9 C=CCCSCc1ccc(cc1)I 62a_100000189116_100000754431 [0,1,0,0,0,0|2,0,1]=4 3458 B13R1.9 C=CCCSCc1ccc(cc1)I 62a_100000754431_100000189116 [0,1,0,0,0,0|2,0,1]=4 3459 B13R1.9 C=CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210623 [0,1,0,0,0,0|2,0,1]=4 3460 B13R1.9 C=CCNCCc1ccc(cc1)Br 2230a_100020586998_100011740612 [0,1,0,0,0,0|2,0,1]=4 3461 B13R1.9 C=CCNCCc1ccc(cc1)Br 34a_100000755846_100015514636 [0,1,0,0,0,0|2,0,1]=4 3462 B13R1.9 C=CCNCCc1ccc(cc1)C 2230a_100000705350_100000210623 [0,1,0,0,0,0|2,0,1]=4 3463 B13R1.9 C=CCNCCc1ccc(cc1)C 2230a_100020586998_100011713686 [0,1,0,0,0,0|2,0,1]=4 3464 B13R1.9 C=CCNCCc1ccc(cc1)C 34a_100000705350_100015514636 [0,1,0,0,0,0|2,0,1]=4 3465 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210623 [0,1,0,0,0,0|2,0,1]=4 3466 B13R1.9 C=CCNCCc1ccc(cc1)Cl 2230a_100020586998_100011713675 [0,1,0,0,0,0|2,0,1]=4 3467 B13R1.9 C=CCNCCc1ccc(cc1)Cl 34a_100000185265_100015514636 [0,1,0,0,0,0|2,0,1]=4 3468 B13R1.9 C=CCNCCc1ccc(cc1)F 2230a_100000199005_100000210623 [0,1,0,0,0,0|2,0,1]=4 3469 B13R1.9 C=CCNCCc1ccc(cc1)F 2230a_100020586998_100011217392 [0,1,0,0,0,0|2,0,1]=4 3470 B13R1.9 C=CCNCCc1ccc(cc1)F 34a_100000199005_100015514636 [0,1,0,0,0,0|2,0,1]=4 3471 B13R1.9 C=CCNCCc1ccc(cc1)O 2230a_100020586998_100009816426 [0,1,0,0,0,0|2,0,1]=4 3472 B13R1.9 C=CCNCCc1ccc(cc1)O 34a_100000743037_100015514636 [0,1,0,0,0,0|2,0,1]=4 3473 B13R1.9 C=CCOCCc1ccc(cc1)Br 34a_100000766406_100015514636 [0,1,0,0,0,0|2,0,1]=4 3474 B13R1.9 C=CCOCCc1ccc(cc1)Br 34a_200000210373_100011740612 [0,1,0,0,0,0|2,0,1]=4 3475 B13R1.9 C=CCOCCc1ccc(cc1)Br 7a_100000766406_100015514636 [0,1,0,0,0,0|2,0,1]=4 3476 B13R1.9 C=CCOCCc1ccc(cc1)C 34a_100000756670_100015514636 [0,1,0,0,0,0|2,0,1]=4 3477 B13R1.9 C=CCOCCc1ccc(cc1)C 34a_200000210373_100011713686 [0,1,0,0,0,0|2,0,1]=4 3478 B13R1.9 C=CCOCCc1ccc(cc1)C 7a_100000756670_100015514636 [0,1,0,0,0,0|2,0,1]=4 3479 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_100011219627_100015514636 [0,1,0,0,0,0|2,0,1]=4 3480 B13R1.9 C=CCOCCc1ccc(cc1)Cl 34a_200000210373_100011713675 [0,1,0,0,0,0|2,0,1]=4 3481 B13R1.9 C=CCOCCc1ccc(cc1)Cl 7a_100011219627_100015514636 [0,1,0,0,0,0|2,0,1]=4 3482 B13R1.9 C=CCOCCc1ccc(cc1)F 34a_100000754732_100015514636 [0,1,0,0,0,0|2,0,1]=4 3483 B13R1.9 C=CCOCCc1ccc(cc1)F 34a_200000210373_100011217392 [0,1,0,0,0,0|2,0,1]=4 3484 B13R1.9 C=CCOCCc1ccc(cc1)F 7a_100000754732_100015514636 [0,1,0,0,0,0|2,0,1]=4 3485 B13R1.9 C=CCOCCc1ccc(cc1)I 34a_100012291149_100015514636 [0,1,0,0,0,0|2,0,1]=4 3486 B13R1.9 C=CCOCCc1ccc(cc1)I 7a_100012291149_100015514636 [0,1,0,0,0,0|2,0,1]=4 3487 B13R1.9 C=CCOCCc1ccc(cc1)N 34a_100011204434_100015514636 [0,1,0,0,0,0|2,0,1]=4 3488 B13R1.9 C=CCSCCc1ccc(cc1)Br 62a_100000210623_100011740612 [0,1,0,0,0,0|2,0,1]=4 3489 B13R1.9 C=CCSCCc1ccc(cc1)Br 62a_100011740612_100000210623 [0,1,0,0,0,0|2,0,1]=4 3490 B13R1.9 C=CCSCCc1ccc(cc1)C 62a_100000210623_100011713686 [0,1,0,0,0,0|2,0,1]=4 3491 B13R1.9 C=CCSCCc1ccc(cc1)C 62a_100011713686_100000210623 [0,1,0,0,0,0|2,0,1]=4 3492 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100000210623_100011713675 [0,1,0,0,0,0|2,0,1]=4 3493 B13R1.9 C=CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210623 [0,1,0,0,0,0|2,0,1]=4 3494 B13R1.9 C=CCSCCc1ccc(cc1)F 62a_100000210623_100011217392 [0,1,0,0,0,0|2,0,1]=4 3495 B13R1.9 C=CCSCCc1ccc(cc1)F 62a_100011217392_100000210623 [0,1,0,0,0,0|2,0,1]=4 3496 B13R1.9 C=CCSCCc1ccc(cc1)O 62a_100000210623_100009816426 [0,1,0,0,0,0|2,0,1]=4 3497 B13R1.9 C=CCSCCc1ccc(cc1)O 62a_100009816426_100000210623 [0,1,0,0,0,0|2,0,1]=4 3498 B13R1.9 CCCCC=Cc1ccc(cc1)Br 271570a_100016275911_100000752885 [0,1,0,0,0,0|1,0,2]=4 3499 B13R1.9 CCCCC=Cc1ccc(cc1)C 271570a_100016275911_100000186775 [0,1,0,0,0,0|1,0,2]=4 3500 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [0,1,0,0,0,0|1,0,2]=4 3501 B13R1.9 CCCCC=Cc1ccc(cc1)F 271570a_100016275911_100000211213 [0,1,0,0,0,0|1,0,2]=4 3502 B13R1.9 CCCCC=Cc1ccc(cc1)N 271570a_100016275911_100000185761 [0,1,0,0,0,0|1,0,2]=4 3503 B13R1.9 CCCCC=Cc1ccc(cc1)O 271570a_100016275911_100000185759 [0,1,0,0,0,0|1,0,2]=4 3504 B13R1.9 CCCCCCc1ccc(cc1)O 271570a_203496583355_100009814338 [0,1,0,0,0,0|1,0,0]=2 3505 B13R1.9 CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210326 [0,1,0,0,0,0|2,0,0]=3 3506 B13R1.9 CCCCCNc1ccc(cc1)Br 34a_100000210018_100000718602 [0,1,0,0,0,0|2,0,0]=3 3507 B13R1.9 CCCCCNc1ccc(cc1)C 34a_100000124888_100000718602 [0,1,0,0,0,0|2,0,0]=3 3508 B13R1.9 CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210326 [0,1,0,0,0,0|2,0,0]=3 3509 B13R1.9 CCCCCNc1ccc(cc1)Cl 34a_100000210052_100000718602 [0,1,0,0,0,0|2,0,0]=3 3510 B13R1.9 CCCCCNc1ccc(cc1)F 34a_100000185862_100000718602 [0,1,0,0,0,0|2,0,0]=3 3511 B13R1.9 CCCCCNc1ccc(cc1)I 34a_100000185761_100000718602 [0,1,0,0,0,0|2,0,0]=3 3512 B13R1.9 CCCCCNc1ccc(cc1)O 34a_100000185829_100000718602 [0,1,0,0,0,0|2,0,0]=3 3513 B13R1.9 CCCCCNc1ccc(cn1)Br 27a_100000209983_100000686858 [0,1,0,0,0,0|3,0,0]=4 3514 B13R1.9 CCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000718602 [0,1,0,0,0,0|3,0,0]=4 3515 B13R1.9 CCCCCOc1ccc(cc1)Br 34a_100000185759_100000718602 [0,1,0,0,0,0|2,0,0]=3 3516 B13R1.9 CCCCCOc1ccc(cc1)Br 7a_100000185759_100000210326 [0,1,0,0,0,0|2,0,0]=3 3517 B13R1.9 CCCCCOc1ccc(cc1)C 34a_100000210336_100000718602 [0,1,0,0,0,0|2,0,0]=3 3518 B13R1.9 CCCCCOc1ccc(cc1)C 7a_100000210336_100000210326 [0,1,0,0,0,0|2,0,0]=3 3519 B13R1.9 CCCCCOc1ccc(cc1)Cl 34a_100000210216_100000718602 [0,1,0,0,0,0|2,0,0]=3 3520 B13R1.9 CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210326 [0,1,0,0,0,0|2,0,0]=3 3521 B13R1.9 CCCCCOc1ccc(cc1)F 34a_100000210339_100000718602 [0,1,0,0,0,0|2,0,0]=3 3522 B13R1.9 CCCCCOc1ccc(cc1)I 34a_100000212066_100000718602 [0,1,0,0,0,0|2,0,0]=3 3523 B13R1.9 CCCCCOc1ccc(cc1)I 7a_100000212066_100000210326 [0,1,0,0,0,0|2,0,0]=3 3524 B13R1.9 CCCCCOc1ccc(cc1)N 34a_100000185829_100000718602 [0,1,0,0,0,0|2,0,0]=3 3525 B13R1.9 CCCCCOc1ccc(cc1)O 271570a_203496583355_200011214818 [0,1,0,0,0,0|2,0,0]=3 3526 B13R1.9 CCCCCOc1ccc(cn1)C 34a_100000759353_100000718602 [0,1,0,0,0,0|3,0,0]=4 3527 B13R1.9 CCCCCOc1ccc(cn1)Cl 34a_100011215309_100000718602 [0,1,0,0,0,0|3,0,0]=4 3528 B13R1.9 CCCCCOc1ccc(cn1)F 34a_100000742473_100000718602 [0,1,0,0,0,0|3,0,0]=4 3529 B13R1.9 CCCCCOc1ccc(cn1)N 34a_100000729260_100000718602 [0,1,0,0,0,0|3,0,0]=4 3530 B13R1.9 CCCCCOc1ccc(nc1)Br 34a_100000685995_100000718602 [0,1,0,0,0,0|3,0,0]=4 3531 B13R1.9 CCCCCOc1ccc(nc1)Br 7a_100000685995_100000210326 [0,1,0,0,0,0|3,0,0]=4 3532 B13R1.9 CCCCCOc1ccc(nc1)C 34a_100000745506_100000718602 [0,1,0,0,0,0|3,0,0]=4 3533 B13R1.9 CCCCCOc1ccc(nc1)C 7a_100000745506_100000210326 [0,1,0,0,0,0|3,0,0]=4 3534 B13R1.9 CCCCCOc1ccc(nc1)Cl 34a_100000744096_100000718602 [0,1,0,0,0,0|3,0,0]=4 3535 B13R1.9 CCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210326 [0,1,0,0,0,0|3,0,0]=4 3536 B13R1.9 CCCCCOc1ccc(nc1)F 34a_100000688820_100000718602 [0,1,0,0,0,0|3,0,0]=4 3537 B13R1.9 CCCCCOc1ccc(nc1)F 7a_100000688820_100000210326 [0,1,0,0,0,0|3,0,0]=4 3538 B13R1.9 CCCCCOc1ccc(nc1)I 34a_100000687607_100000718602 [0,1,0,0,0,0|3,0,0]=4 3539 B13R1.9 CCCCCOc1ccc(nc1)I 7a_100000687607_100000210326 [0,1,0,0,0,0|3,0,0]=4 3540 B13R1.9 CCCCCOc1ccc(nc1)N 34a_100015188713_100000718602 [0,1,0,0,0,0|3,0,0]=4 3541 B13R1.9 CCCCCOc1ccc(nc1)N 7a_100015188713_100000210326 [0,1,0,0,0,0|3,0,0]=4 3542 B13R1.9 CCCCCSc1cc[n+](cc1)[O-] 62a_100000210326_100000039755 [0,1,0,0,0,0|3,0,0]=4 3543 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000210326_100000212171 [0,1,0,0,0,0|3,0,0]=4 3544 B13R1.9 CCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210326 [0,1,0,0,0,0|3,0,0]=4 3545 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000210326_100000752885 [0,1,0,0,0,0|2,0,0]=3 3546 B13R1.9 CCCCCSc1ccc(cc1)Br 62a_100000752885_100000210326 [0,1,0,0,0,0|2,0,0]=3 3547 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000186775_100000210326 [0,1,0,0,0,0|2,0,0]=3 3548 B13R1.9 CCCCCSc1ccc(cc1)C 62a_100000210326_100000186775 [0,1,0,0,0,0|2,0,0]=3 3549 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000210326_100000755918 [0,1,0,0,0,0|2,0,0]=3 3550 B13R1.9 CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210326 [0,1,0,0,0,0|2,0,0]=3 3551 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000210326_100000211213 [0,1,0,0,0,0|2,0,0]=3 3552 B13R1.9 CCCCCSc1ccc(cc1)F 62a_100000211213_100000210326 [0,1,0,0,0,0|2,0,0]=3 3553 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000185761_100000210326 [0,1,0,0,0,0|2,0,0]=3 3554 B13R1.9 CCCCCSc1ccc(cc1)N 62a_100000210326_100000185761 [0,1,0,0,0,0|2,0,0]=3 3555 B13R1.9 CCCCCSc1ccc(cc1)O 62a_100000210326_100000185759 [0,1,0,0,0,0|2,0,0]=3 3556 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000210326_100000686858 [0,1,0,0,0,0|3,0,0]=4 3557 B13R1.9 CCCCCSc1ccc(cn1)Br 62a_100000686858_100000210326 [0,1,0,0,0,0|3,0,0]=4 3558 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100000210326_100000754016 [0,1,0,0,0,0|3,0,0]=4 3559 B13R1.9 CCCCCSc1ccc(cn1)C 62a_100011192072_100000210326 [0,1,0,0,0,0|3,0,0]=4 3560 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100000210326_100011356976 [0,1,0,0,0,0|3,0,0]=4 3561 B13R1.9 CCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210326 [0,1,0,0,0,0|3,0,0]=4 3562 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000210326_100000744514 [0,1,0,0,0,0|3,0,0]=4 3563 B13R1.9 CCCCCSc1ccc(cn1)F 62a_100000744514_100000210326 [0,1,0,0,0,0|3,0,0]=4 3564 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000210326_100000737798 [0,1,0,0,0,0|3,0,0]=4 3565 B13R1.9 CCCCCSc1ccc(cn1)N 62a_100000737798_100000210326 [0,1,0,0,0,0|3,0,0]=4 3566 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000210326_100000744096 [0,1,0,0,0,0|3,0,0]=4 3567 B13R1.9 CCCCCSc1ccc(cn1)O 62a_100000685995_100000210326 [0,1,0,0,0,0|3,0,0]=4 3568 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100000210326_100009814638 [0,1,0,0,0,0|3,0,0]=4 3569 B13R1.9 CCCCCSc1ccc(nc1)Br 62a_100009814638_100000210326 [0,1,0,0,0,0|3,0,0]=4 3570 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000210326_100000751577 [0,1,0,0,0,0|3,0,0]=4 3571 B13R1.9 CCCCCSc1ccc(nc1)C 62a_100000751577_100000210326 [0,1,0,0,0,0|3,0,0]=4 3572 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210326 [0,1,0,0,0,0|3,0,0]=4 3573 B13R1.9 CCCCCSc1ccc(nc1)Cl 62a_100000210326_100000034144 [0,1,0,0,0,0|3,0,0]=4 3574 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000042367_100000210326 [0,1,0,0,0,0|3,0,0]=4 3575 B13R1.9 CCCCCSc1ccc(nc1)F 62a_100000210326_100000042367 [0,1,0,0,0,0|3,0,0]=4 3576 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000187370_100000210326 [0,1,0,0,0,0|3,0,0]=4 3577 B13R1.9 CCCCCSc1ccc(nc1)N 62a_100000210326_100000187370 [0,1,0,0,0,0|3,0,0]=4 3578 B13R1.9 CCCCNCc1ccc(cc1)Br 207a_100000102301_100000186029 [0,1,0,0,0,0|2,0,0]=3 3579 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000102301_100011217064 [0,1,0,0,0,0|2,0,0]=3 3580 B13R1.9 CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210211 [0,1,0,0,0,0|2,0,0]=3 3581 B13R1.9 CCCCNCc1ccc(cc1)Br 270004a_100000102301_100000186029 [0,1,0,0,0,0|2,0,0]=3 3582 B13R1.9 CCCCNCc1ccc(cc1)Br 34a_100000174875_100000210210 [0,1,0,0,0,0|2,0,0]=3 3583 B13R1.9 CCCCNCc1ccc(cc1)Br 7a_106832991798_100011217064 [0,1,0,0,0,0|2,0,0]=3 3584 B13R1.9 CCCCNCc1ccc(cc1)C 207a_100000102301_100000211033 [0,1,0,0,0,0|2,0,0]=3 3585 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000102301_100000210814 [0,1,0,0,0,0|2,0,0]=3 3586 B13R1.9 CCCCNCc1ccc(cc1)C 2230a_100000174908_100000210211 [0,1,0,0,0,0|2,0,0]=3 3587 B13R1.9 CCCCNCc1ccc(cc1)C 270004a_100000102301_100000211033 [0,1,0,0,0,0|2,0,0]=3 3588 B13R1.9 CCCCNCc1ccc(cc1)C 34a_100000174908_100000210210 [0,1,0,0,0,0|2,0,0]=3 3589 B13R1.9 CCCCNCc1ccc(cc1)C 7a_106832991798_100000210814 [0,1,0,0,0,0|2,0,0]=3 3590 B13R1.9 CCCCNCc1ccc(cc1)Cl 207a_100000102301_100000189385 [0,1,0,0,0,0|2,0,0]=3 3591 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000102301_100000694040 [0,1,0,0,0,0|2,0,0]=3 3592 B13R1.9 CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210211 [0,1,0,0,0,0|2,0,0]=3 3593 B13R1.9 CCCCNCc1ccc(cc1)Cl 270004a_100000102301_100000189385 [0,1,0,0,0,0|2,0,0]=3 3594 B13R1.9 CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210210 [0,1,0,0,0,0|2,0,0]=3 3595 B13R1.9 CCCCNCc1ccc(cc1)Cl 7a_106832991798_100000187161 [0,1,0,0,0,0|2,0,0]=3 3596 B13R1.9 CCCCNCc1ccc(cc1)F 207a_100000102301_100000210084 [0,1,0,0,0,0|2,0,0]=3 3597 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000102301_100000198546 [0,1,0,0,0,0|2,0,0]=3 3598 B13R1.9 CCCCNCc1ccc(cc1)F 2230a_100000174882_100000210211 [0,1,0,0,0,0|2,0,0]=3 3599 B13R1.9 CCCCNCc1ccc(cc1)F 270004a_100000102301_100000210084 [0,1,0,0,0,0|2,0,0]=3 3600 B13R1.9 CCCCNCc1ccc(cc1)F 34a_100000174882_100000210210 [0,1,0,0,0,0|2,0,0]=3 3601 B13R1.9 CCCCNCc1ccc(cc1)F 7a_106832991798_100000198546 [0,1,0,0,0,0|2,0,0]=3 3602 B13R1.9 CCCCNCc1ccc(cc1)I 207a_100000102301_100000188517 [0,1,0,0,0,0|2,0,0]=3 3603 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100000102301_100000189116 [0,1,0,0,0,0|2,0,0]=3 3604 B13R1.9 CCCCNCc1ccc(cc1)I 2230a_100016989417_100000210211 [0,1,0,0,0,0|2,0,0]=3 3605 B13R1.9 CCCCNCc1ccc(cc1)I 34a_100016989417_100000210210 [0,1,0,0,0,0|2,0,0]=3 3606 B13R1.9 CCCCNCc1ccc(cc1)I 7a_106832991798_100000189116 [0,1,0,0,0,0|2,0,0]=3 3607 B13R1.9 CCCCNCc1ccc(cc1)O 271570a_203496583355_100015187156 [0,1,0,0,0,0|2,0,0]=3 3608 B13R1.9 CCCCNCc1ccc(cc1)O 34a_100000185549_100000210210 [0,1,0,0,0,0|2,0,0]=3 3609 B13R1.9 CCCCNCc1ccc(cn1)Br 207a_100000102301_100000754260 [0,1,0,0,0,0|3,0,0]=4 3610 B13R1.9 CCCCNCc1ccc(cn1)Br 2230a_100000102301_100000702658 [0,1,0,0,0,0|3,0,0]=4 3611 B13R1.9 CCCCNCc1ccc(cn1)Br 270004a_100000102301_100000754260 [0,1,0,0,0,0|3,0,0]=4 3612 B13R1.9 CCCCNCc1ccc(cn1)Br 34a_100015188789_100000210210 [0,1,0,0,0,0|3,0,0]=4 3613 B13R1.9 CCCCNCc1ccc(cn1)Br 7a_106832991798_100000702658 [0,1,0,0,0,0|3,0,0]=4 3614 B13R1.9 CCCCNCc1ccc(cn1)C 207a_100000102301_100000050478 [0,1,0,0,0,0|3,0,0]=4 3615 B13R1.9 CCCCNCc1ccc(cn1)C 2230a_100000102301_100000691093 [0,1,0,0,0,0|3,0,0]=4 3616 B13R1.9 CCCCNCc1ccc(cn1)C 270004a_100000102301_100000050478 [0,1,0,0,0,0|3,0,0]=4 3617 B13R1.9 CCCCNCc1ccc(cn1)C 34a_100015187455_100000210210 [0,1,0,0,0,0|3,0,0]=4 3618 B13R1.9 CCCCNCc1ccc(cn1)C 7a_106832991798_100000691093 [0,1,0,0,0,0|3,0,0]=4 3619 B13R1.9 CCCCNCc1ccc(cn1)Cl 207a_100000102301_100011361569 [0,1,0,0,0,0|3,0,0]=4 3620 B13R1.9 CCCCNCc1ccc(cn1)Cl 2230a_100000102301_100012066911 [0,1,0,0,0,0|3,0,0]=4 3621 B13R1.9 CCCCNCc1ccc(cn1)Cl 270004a_100000102301_100011361569 [0,1,0,0,0,0|3,0,0]=4 3622 B13R1.9 CCCCNCc1ccc(cn1)Cl 34a_100000697193_100000210210 [0,1,0,0,0,0|3,0,0]=4 3623 B13R1.9 CCCCNCc1ccc(cn1)Cl 7a_106832991798_100012066911 [0,1,0,0,0,0|3,0,0]=4 3624 B13R1.9 CCCCNCc1ccc(cn1)F 207a_100000102301_100011934744 [0,1,0,0,0,0|3,0,0]=4 3625 B13R1.9 CCCCNCc1ccc(cn1)F 2230a_100000102301_100000703193 [0,1,0,0,0,0|3,0,0]=4 3626 B13R1.9 CCCCNCc1ccc(cn1)F 270004a_100000102301_100011934744 [0,1,0,0,0,0|3,0,0]=4 3627 B13R1.9 CCCCNCc1ccc(cn1)F 34a_100020620131_100000210210 [0,1,0,0,0,0|3,0,0]=4 3628 B13R1.9 CCCCNCc1ccc(cn1)F 7a_106832991798_100000703193 [0,1,0,0,0,0|3,0,0]=4 3629 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100000102301_100009831999 [0,1,0,0,0,0|3,0,0]=4 3630 B13R1.9 CCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210211 [0,1,0,0,0,0|3,0,0]=4 3631 B13R1.9 CCCCNCc1ccc(nc1)Br 34a_100009817727_100000210210 [0,1,0,0,0,0|3,0,0]=4 3632 B13R1.9 CCCCNCc1ccc(nc1)Br 7a_106832991798_100009831999 [0,1,0,0,0,0|3,0,0]=4 3633 B13R1.9 CCCCNCc1ccc(nc1)C 2230a_100000102301_100016987292 [0,1,0,0,0,0|3,0,0]=4 3634 B13R1.9 CCCCNCc1ccc(nc1)C 270004a_100000102301_100000743784 [0,1,0,0,0,0|3,0,0]=4 3635 B13R1.9 CCCCNCc1ccc(nc1)C 34a_100000740942_100000210210 [0,1,0,0,0,0|3,0,0]=4 3636 B13R1.9 CCCCNCc1ccc(nc1)C 7a_106832991798_100016987292 [0,1,0,0,0,0|3,0,0]=4 3637 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000102301_100000735431 [0,1,0,0,0,0|3,0,0]=4 3638 B13R1.9 CCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210211 [0,1,0,0,0,0|3,0,0]=4 3639 B13R1.9 CCCCNCc1ccc(nc1)Cl 34a_100000735879_100000210210 [0,1,0,0,0,0|3,0,0]=4 3640 B13R1.9 CCCCNCc1ccc(nc1)Cl 7a_106832991798_100000735431 [0,1,0,0,0,0|3,0,0]=4 3641 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000101913_100000210211 [0,1,0,0,0,0|3,0,0]=4 3642 B13R1.9 CCCCNCc1ccc(nc1)F 2230a_100000102301_100009820150 [0,1,0,0,0,0|3,0,0]=4 3643 B13R1.9 CCCCNCc1ccc(nc1)F 34a_100000101913_100000210210 [0,1,0,0,0,0|3,0,0]=4 3644 B13R1.9 CCCCNCc1ccc(nc1)F 7a_106832991798_100009820150 [0,1,0,0,0,0|3,0,0]=4 3645 B13R1.9 CCCCNCc1ccc(nc1)O 207a_100000102301_100011361521 [0,1,0,0,0,0|3,0,0]=4 3646 B13R1.9 CCCCNCc1ccc(nc1)O 2230a_100000757128_100000210211 [0,1,0,0,0,0|3,0,0]=4 3647 B13R1.9 CCCCOCc1cc[n+](cc1)C 34a_100009831711_100000210210 [0,1,0,0,0,0|3,0,0]=4 3648 B13R1.9 CCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210210 [0,1,0,0,0,0|3,0,0]=4 3649 B13R1.9 CCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210211 [0,1,0,0,0,0|3,0,0]=4 3650 B13R1.9 CCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210210 [0,1,0,0,0,0|3,0,0]=4 3651 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000210227_100000189115 [0,1,0,0,0,0|2,0,0]=3 3652 B13R1.9 CCCCOCc1ccc(cc1)Br 34a_100000695286_100000210210 [0,1,0,0,0,0|2,0,0]=3 3653 B13R1.9 CCCCOCc1ccc(cc1)Br 7a_100000210227_100011217064 [0,1,0,0,0,0|2,0,0]=3 3654 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100000210227_100000210814 [0,1,0,0,0,0|2,0,0]=3 3655 B13R1.9 CCCCOCc1ccc(cc1)C 34a_100011215236_100000210210 [0,1,0,0,0,0|2,0,0]=3 3656 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100000210227_100000210814 [0,1,0,0,0,0|2,0,0]=3 3657 B13R1.9 CCCCOCc1ccc(cc1)C 7a_100011215236_100000210211 [0,1,0,0,0,0|2,0,0]=3 3658 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000210227_100000694040 [0,1,0,0,0,0|2,0,0]=3 3659 B13R1.9 CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210210 [0,1,0,0,0,0|2,0,0]=3 3660 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000210227_100000187161 [0,1,0,0,0,0|2,0,0]=3 3661 B13R1.9 CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210211 [0,1,0,0,0,0|2,0,0]=3 3662 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210227_100000198546 [0,1,0,0,0,0|2,0,0]=3 3663 B13R1.9 CCCCOCc1ccc(cc1)F 34a_100000210977_100000210210 [0,1,0,0,0,0|2,0,0]=3 3664 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210227_100000198546 [0,1,0,0,0,0|2,0,0]=3 3665 B13R1.9 CCCCOCc1ccc(cc1)F 7a_100000210977_100000210211 [0,1,0,0,0,0|2,0,0]=3 3666 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000210227_100000189116 [0,1,0,0,0,0|2,0,0]=3 3667 B13R1.9 CCCCOCc1ccc(cc1)I 34a_100000690907_100000210210 [0,1,0,0,0,0|2,0,0]=3 3668 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000210227_100000189116 [0,1,0,0,0,0|2,0,0]=3 3669 B13R1.9 CCCCOCc1ccc(cc1)I 7a_100000690907_100000210211 [0,1,0,0,0,0|2,0,0]=3 3670 B13R1.9 CCCCOCc1ccc(cc1)N 34a_100011215238_100000210210 [0,1,0,0,0,0|2,0,0]=3 3671 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000210227_100000702658 [0,1,0,0,0,0|3,0,0]=4 3672 B13R1.9 CCCCOCc1ccc(cn1)Br 34a_100000754261_100000210210 [0,1,0,0,0,0|3,0,0]=4 3673 B13R1.9 CCCCOCc1ccc(cn1)Br 7a_100000210227_100000702658 [0,1,0,0,0,0|3,0,0]=4 3674 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100000210227_100000691093 [0,1,0,0,0,0|3,0,0]=4 3675 B13R1.9 CCCCOCc1ccc(cn1)C 34a_100012001401_100000210210 [0,1,0,0,0,0|3,0,0]=4 3676 B13R1.9 CCCCOCc1ccc(cn1)C 7a_100000210227_100000691093 [0,1,0,0,0,0|3,0,0]=4 3677 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000210227_100012066911 [0,1,0,0,0,0|3,0,0]=4 3678 B13R1.9 CCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210210 [0,1,0,0,0,0|3,0,0]=4 3679 B13R1.9 CCCCOCc1ccc(cn1)Cl 7a_100000210227_100012066911 [0,1,0,0,0,0|3,0,0]=4 3680 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100000210227_100000703193 [0,1,0,0,0,0|3,0,0]=4 3681 B13R1.9 CCCCOCc1ccc(cn1)F 34a_100011999454_100000210210 [0,1,0,0,0,0|3,0,0]=4 3682 B13R1.9 CCCCOCc1ccc(cn1)F 7a_100000210227_100000703193 [0,1,0,0,0,0|3,0,0]=4 3683 B13R1.9 CCCCOCc1ccc(cn1)N 34a_100011998161_100000210210 [0,1,0,0,0,0|3,0,0]=4 3684 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100000210227_100009831999 [0,1,0,0,0,0|3,0,0]=4 3685 B13R1.9 CCCCOCc1ccc(nc1)Br 34a_100009816760_100000210210 [0,1,0,0,0,0|3,0,0]=4 3686 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100000210227_100009831999 [0,1,0,0,0,0|3,0,0]=4 3687 B13R1.9 CCCCOCc1ccc(nc1)Br 7a_100009816760_100000210211 [0,1,0,0,0,0|3,0,0]=4 3688 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100000210227_100016987292 [0,1,0,0,0,0|3,0,0]=4 3689 B13R1.9 CCCCOCc1ccc(nc1)C 34a_100011248133_100000210210 [0,1,0,0,0,0|3,0,0]=4 3690 B13R1.9 CCCCOCc1ccc(nc1)C 7a_100000210227_100016987292 [0,1,0,0,0,0|3,0,0]=4 3691 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000210227_100000735431 [0,1,0,0,0,0|3,0,0]=4 3692 B13R1.9 CCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210210 [0,1,0,0,0,0|3,0,0]=4 3693 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000210227_100000735431 [0,1,0,0,0,0|3,0,0]=4 3694 B13R1.9 CCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210211 [0,1,0,0,0,0|3,0,0]=4 3695 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000079959_100000210210 [0,1,0,0,0,0|3,0,0]=4 3696 B13R1.9 CCCCOCc1ccc(nc1)F 34a_100000210227_100000099788 [0,1,0,0,0,0|3,0,0]=4 3697 B13R1.9 CCCCOCc1ccc(nc1)F 7a_100000210227_100009820150 [0,1,0,0,0,0|3,0,0]=4 3698 B13R1.9 CCCCOCc1ccc(nc1)N 34a_100000704267_100000210210 [0,1,0,0,0,0|3,0,0]=4 3699 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000189115_100000210210 [0,1,0,0,0,0|2,0,0]=3 3700 B13R1.9 CCCCSCc1ccc(cc1)Br 62a_100000210211_100000189115 [0,1,0,0,0,0|2,0,0]=3 3701 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210211_100000210814 [0,1,0,0,0,0|2,0,0]=3 3702 B13R1.9 CCCCSCc1ccc(cc1)C 62a_100000210814_100000210210 [0,1,0,0,0,0|2,0,0]=3 3703 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210210 [0,1,0,0,0,0|2,0,0]=3 3704 B13R1.9 CCCCSCc1ccc(cc1)Cl 62a_100000210211_100000187161 [0,1,0,0,0,0|2,0,0]=3 3705 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000198546_100000210210 [0,1,0,0,0,0|2,0,0]=3 3706 B13R1.9 CCCCSCc1ccc(cc1)F 62a_100000210211_100000187164 [0,1,0,0,0,0|2,0,0]=3 3707 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000189116_100000210210 [0,1,0,0,0,0|2,0,0]=3 3708 B13R1.9 CCCCSCc1ccc(cc1)I 62a_100000210211_100000189116 [0,1,0,0,0,0|2,0,0]=3 3709 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000210211_100000702658 [0,1,0,0,0,0|3,0,0]=4 3710 B13R1.9 CCCCSCc1ccc(cn1)Br 62a_100000702658_100000210210 [0,1,0,0,0,0|3,0,0]=4 3711 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000210211_100000691093 [0,1,0,0,0,0|3,0,0]=4 3712 B13R1.9 CCCCSCc1ccc(cn1)C 62a_100000691093_100000210210 [0,1,0,0,0,0|3,0,0]=4 3713 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100000210211_100000697101 [0,1,0,0,0,0|3,0,0]=4 3714 B13R1.9 CCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210210 [0,1,0,0,0,0|3,0,0]=4 3715 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000210211_100000703193 [0,1,0,0,0,0|3,0,0]=4 3716 B13R1.9 CCCCSCc1ccc(cn1)F 62a_100000703193_100000210210 [0,1,0,0,0,0|3,0,0]=4 3717 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100000210211_100009831999 [0,1,0,0,0,0|3,0,0]=4 3718 B13R1.9 CCCCSCc1ccc(nc1)Br 62a_100009831999_100000210210 [0,1,0,0,0,0|3,0,0]=4 3719 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100000210211_100016987292 [0,1,0,0,0,0|3,0,0]=4 3720 B13R1.9 CCCCSCc1ccc(nc1)C 62a_100016987292_100000210210 [0,1,0,0,0,0|3,0,0]=4 3721 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000210211_100000735431 [0,1,0,0,0,0|3,0,0]=4 3722 B13R1.9 CCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210210 [0,1,0,0,0,0|3,0,0]=4 3723 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100000210211_100000099788 [0,1,0,0,0,0|3,0,0]=4 3724 B13R1.9 CCCCSCc1ccc(nc1)F 62a_100009820150_100000210210 [0,1,0,0,0,0|3,0,0]=4 3725 B13R1.9 CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210303 [0,1,0,0,0,0|2,0,0]=3 3726 B13R1.9 CCCNCCc1ccc(cc1)Br 34a_100000755846_100000210303 [0,1,0,0,0,0|2,0,0]=3 3727 B13R1.9 CCCNCCc1ccc(cc1)C 2230a_100000705350_100000210303 [0,1,0,0,0,0|2,0,0]=3 3728 B13R1.9 CCCNCCc1ccc(cc1)C 34a_100000705350_100000210303 [0,1,0,0,0,0|2,0,0]=3 3729 B13R1.9 CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210303 [0,1,0,0,0,0|2,0,0]=3 3730 B13R1.9 CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210303 [0,1,0,0,0,0|2,0,0]=3 3731 B13R1.9 CCCNCCc1ccc(cc1)F 2230a_100000199005_100000210303 [0,1,0,0,0,0|2,0,0]=3 3732 B13R1.9 CCCNCCc1ccc(cc1)F 34a_100000199005_100000210303 [0,1,0,0,0,0|2,0,0]=3 3733 B13R1.9 CCCNCCc1ccc(cc1)O 34a_100000743037_100000210303 [0,1,0,0,0,0|2,0,0]=3 3734 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000210258_100011740612 [0,1,0,0,0,0|2,0,0]=3 3735 B13R1.9 CCCOCCc1ccc(cc1)Br 34a_100000766406_100000210303 [0,1,0,0,0,0|2,0,0]=3 3736 B13R1.9 CCCOCCc1ccc(cc1)Br 7a_100000766406_100000210303 [0,1,0,0,0,0|2,0,0]=3 3737 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000210258_100011713686 [0,1,0,0,0,0|2,0,0]=3 3738 B13R1.9 CCCOCCc1ccc(cc1)C 34a_100000756670_100000210303 [0,1,0,0,0,0|2,0,0]=3 3739 B13R1.9 CCCOCCc1ccc(cc1)C 7a_100000756670_100000210303 [0,1,0,0,0,0|2,0,0]=3 3740 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100000210258_100011713675 [0,1,0,0,0,0|2,0,0]=3 3741 B13R1.9 CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210303 [0,1,0,0,0,0|2,0,0]=3 3742 B13R1.9 CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210303 [0,1,0,0,0,0|2,0,0]=3 3743 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000210258_100011217392 [0,1,0,0,0,0|2,0,0]=3 3744 B13R1.9 CCCOCCc1ccc(cc1)F 34a_100000754732_100000210303 [0,1,0,0,0,0|2,0,0]=3 3745 B13R1.9 CCCOCCc1ccc(cc1)F 7a_100000754732_100000210303 [0,1,0,0,0,0|2,0,0]=3 3746 B13R1.9 CCCOCCc1ccc(cc1)I 34a_100012291149_100000210303 [0,1,0,0,0,0|2,0,0]=3 3747 B13R1.9 CCCOCCc1ccc(cc1)I 7a_100012291149_100000210303 [0,1,0,0,0,0|2,0,0]=3 3748 B13R1.9 CCCOCCc1ccc(cc1)N 34a_100011204434_100000210303 [0,1,0,0,0,0|2,0,0]=3 3749 B13R1.9 CCCOCCc1ccc(cn1)Br 34a_100012357577_100000210303 [0,1,0,0,0,0|3,0,0]=4 3750 B13R1.9 CCCOCCc1ccc(nc1)C 34a_100011815783_100000210303 [0,1,0,0,0,0|3,0,0]=4 3751 B13R1.9 CCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210303 [0,1,0,0,0,0|3,0,0]=4 3752 B13R1.9 CCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210303 [0,1,0,0,0,0|3,0,0]=4 3753 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100000210303_100011740612 [0,1,0,0,0,0|2,0,0]=3 3754 B13R1.9 CCCSCCc1ccc(cc1)Br 62a_100011740612_100000210303 [0,1,0,0,0,0|2,0,0]=3 3755 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100000210303_100011713686 [0,1,0,0,0,0|2,0,0]=3 3756 B13R1.9 CCCSCCc1ccc(cc1)C 62a_100011713686_100000210303 [0,1,0,0,0,0|2,0,0]=3 3757 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100000210303_100011713675 [0,1,0,0,0,0|2,0,0]=3 3758 B13R1.9 CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210303 [0,1,0,0,0,0|2,0,0]=3 3759 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100000210303_100011217392 [0,1,0,0,0,0|2,0,0]=3 3760 B13R1.9 CCCSCCc1ccc(cc1)F 62a_100011217392_100000210303 [0,1,0,0,0,0|2,0,0]=3 3761 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100000210303_100009816426 [0,1,0,0,0,0|2,0,0]=3 3762 B13R1.9 CCCSCCc1ccc(cc1)O 62a_100009816426_100000210303 [0,1,0,0,0,0|2,0,0]=3 3763 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210202 [0,1,0,0,0,0|2,0,0]=3 3764 B13R1.9 CCNCCCc1ccc(cc1)Br 2230a_100015525214_100011713682 [0,1,0,0,0,0|2,0,0]=3 3765 B13R1.9 CCNCCCc1ccc(cc1)Br 34a_100011297623_100000210202 [0,1,0,0,0,0|2,0,0]=3 3766 B13R1.9 CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210202 [0,1,0,0,0,0|2,0,0]=3 3767 B13R1.9 CCNCCCc1ccc(cc1)C 34a_100011236272_100000210202 [0,1,0,0,0,0|2,0,0]=3 3768 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210202 [0,1,0,0,0,0|2,0,0]=3 3769 B13R1.9 CCNCCCc1ccc(cc1)Cl 2230a_100015525214_100000759440 [0,1,0,0,0,0|2,0,0]=3 3770 B13R1.9 CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210202 [0,1,0,0,0,0|2,0,0]=3 3771 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100015525214_200011713563 [0,1,0,0,0,0|2,0,0]=3 3772 B13R1.9 CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210202 [0,1,0,0,0,0|2,0,0]=3 3773 B13R1.9 CCNCCCc1ccc(cc1)F 34a_100025745824_100000210202 [0,1,0,0,0,0|2,0,0]=3 3774 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210202 [0,1,0,0,0,0|3,0,0]=4 3775 B13R1.9 CCNCCOc1ccc(cc1)Br 2230a_100015525214_100000183278 [0,1,0,0,0,0|3,0,0]=4 3776 B13R1.9 CCNCCOc1ccc(cc1)Br 34a_100000746992_100000210202 [0,1,0,0,0,0|3,0,0]=4 3777 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100015525214_100000183172 [0,1,0,0,0,0|3,0,0]=4 3778 B13R1.9 CCNCCOc1ccc(cc1)C 2230a_100020666663_100000210202 [0,1,0,0,0,0|3,0,0]=4 3779 B13R1.9 CCNCCOc1ccc(cc1)C 34a_100020666663_100000210202 [0,1,0,0,0,0|3,0,0]=4 3780 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210202 [0,1,0,0,0,0|3,0,0]=4 3781 B13R1.9 CCNCCOc1ccc(cc1)Cl 2230a_100015525214_100000184122 [0,1,0,0,0,0|3,0,0]=4 3782 B13R1.9 CCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210202 [0,1,0,0,0,0|3,0,0]=4 3783 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100000737420_100000210202 [0,1,0,0,0,0|3,0,0]=4 3784 B13R1.9 CCNCCOc1ccc(cc1)F 2230a_100015525214_100000184936 [0,1,0,0,0,0|3,0,0]=4 3785 B13R1.9 CCNCCOc1ccc(cc1)F 34a_100000737420_100000210202 [0,1,0,0,0,0|3,0,0]=4 3786 B13R1.9 CCNCCOc1ccc(cc1)O 271570a_203496583355_100000762749 [0,1,0,0,0,0|3,0,0]=4 3787 B13R1.9 CCNCCSc1ccc(cc1)Br 2230a_100000184645_100000210202 [0,1,0,0,0,0|3,0,0]=4 3788 B13R1.9 CCNCCSc1ccc(cc1)C 2230a_100000739754_100000210202 [0,1,0,0,0,0|3,0,0]=4 3789 B13R1.9 CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210202 [0,1,0,0,0,0|3,0,0]=4 3790 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100011709247_100000210202 [0,1,0,0,0,0|2,0,0]=3 3791 B13R1.9 CCOCCCc1ccc(cc1)Br 34a_100121572206_100011713682 [0,1,0,0,0,0|2,0,0]=3 3792 B13R1.9 CCOCCCc1ccc(cc1)Br 7a_100011709247_100000210202 [0,1,0,0,0,0|2,0,0]=3 3793 B13R1.9 CCOCCCc1ccc(cc1)C 34a_100000189427_100000210202 [0,1,0,0,0,0|2,0,0]=3 3794 B13R1.9 CCOCCCc1ccc(cc1)C 7a_100000189427_100000210202 [0,1,0,0,0,0|2,0,0]=3 3795 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210202 [0,1,0,0,0,0|2,0,0]=3 3796 B13R1.9 CCOCCCc1ccc(cc1)Cl 34a_100121572206_100000759440 [0,1,0,0,0,0|2,0,0]=3 3797 B13R1.9 CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210202 [0,1,0,0,0,0|2,0,0]=3 3798 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100000757351_100000210202 [0,1,0,0,0,0|2,0,0]=3 3799 B13R1.9 CCOCCCc1ccc(cc1)F 34a_100121572206_200011713563 [0,1,0,0,0,0|2,0,0]=3 3800 B13R1.9 CCOCCCc1ccc(cc1)F 7a_100000757351_100000210202 [0,1,0,0,0,0|2,0,0]=3 3801 B13R1.9 CCOCCNc1ccc(cc1)Br 2230a_100000210018_100011215890 [0,1,0,0,0,0|3,0,0]=4 3802 B13R1.9 CCOCCNc1ccc(cc1)Br 34a_100000210018_100000210147 [0,1,0,0,0,0|3,0,0]=4 3803 B13R1.9 CCOCCNc1ccc(cc1)C 34a_100000124888_100000210147 [0,1,0,0,0,0|3,0,0]=4 3804 B13R1.9 CCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215890 [0,1,0,0,0,0|3,0,0]=4 3805 B13R1.9 CCOCCNc1ccc(cc1)Cl 34a_100000210052_100000210147 [0,1,0,0,0,0|3,0,0]=4 3806 B13R1.9 CCOCCNc1ccc(cc1)F 34a_100000185862_100000210147 [0,1,0,0,0,0|3,0,0]=4 3807 B13R1.9 CCOCCNc1ccc(cc1)I 34a_100000185761_100000210147 [0,1,0,0,0,0|3,0,0]=4 3808 B13R1.9 CCOCCNc1ccc(cc1)O 34a_100000185829_100000210147 [0,1,0,0,0,0|3,0,0]=4 3809 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000185759_100000210147 [0,1,0,0,0,0|3,0,0]=4 3810 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100000686261_100000210202 [0,1,0,0,0,0|3,0,0]=4 3811 B13R1.9 CCOCCOc1ccc(cc1)Br 34a_100121572206_100000183278 [0,1,0,0,0,0|3,0,0]=4 3812 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000185759_100011215890 [0,1,0,0,0,0|3,0,0]=4 3813 B13R1.9 CCOCCOc1ccc(cc1)Br 7a_100000686261_100000210202 [0,1,0,0,0,0|3,0,0]=4 3814 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100000210336_100000210147 [0,1,0,0,0,0|3,0,0]=4 3815 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100011219107_100000210202 [0,1,0,0,0,0|3,0,0]=4 3816 B13R1.9 CCOCCOc1ccc(cc1)C 34a_100121572206_100000183172 [0,1,0,0,0,0|3,0,0]=4 3817 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100000210336_100011215890 [0,1,0,0,0,0|3,0,0]=4 3818 B13R1.9 CCOCCOc1ccc(cc1)C 7a_100011219107_100000210202 [0,1,0,0,0,0|3,0,0]=4 3819 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000210216_100000210147 [0,1,0,0,0,0|3,0,0]=4 3820 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210202 [0,1,0,0,0,0|3,0,0]=4 3821 B13R1.9 CCOCCOc1ccc(cc1)Cl 34a_100121572206_100000184122 [0,1,0,0,0,0|3,0,0]=4 3822 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215890 [0,1,0,0,0,0|3,0,0]=4 3823 B13R1.9 CCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210202 [0,1,0,0,0,0|3,0,0]=4 3824 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100000210339_100000210147 [0,1,0,0,0,0|3,0,0]=4 3825 B13R1.9 CCOCCOc1ccc(cc1)F 34a_100121572206_100000184936 [0,1,0,0,0,0|3,0,0]=4 3826 B13R1.9 CCOCCOc1ccc(cc1)I 34a_100000212066_100000210147 [0,1,0,0,0,0|3,0,0]=4 3827 B13R1.9 CCOCCOc1ccc(cc1)I 7a_100000212066_100011215890 [0,1,0,0,0,0|3,0,0]=4 3828 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000185829_100000210147 [0,1,0,0,0,0|3,0,0]=4 3829 B13R1.9 CCOCCOc1ccc(cc1)N 34a_100000754363_100000210202 [0,1,0,0,0,0|3,0,0]=4 3830 B13R1.9 CCOCCOc1ccc(cc1)O 271570a_203496583355_200000169944 [0,1,0,0,0,0|3,0,0]=4 3831 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000210147_100000752885 [0,1,0,0,0,0|3,0,0]=4 3832 B13R1.9 CCOCCSc1ccc(cc1)Br 62a_100000752885_100011215890 [0,1,0,0,0,0|3,0,0]=4 3833 B13R1.9 CCOCCSc1ccc(cc1)C 34a_200000230582_100000210202 [0,1,0,0,0,0|3,0,0]=4 3834 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000186775_100011215890 [0,1,0,0,0,0|3,0,0]=4 3835 B13R1.9 CCOCCSc1ccc(cc1)C 62a_100000210147_100000186775 [0,1,0,0,0,0|3,0,0]=4 3836 B13R1.9 CCOCCSc1ccc(cc1)C 7a_200000230582_100000210202 [0,1,0,0,0,0|3,0,0]=4 3837 B13R1.9 CCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210202 [0,1,0,0,0,0|3,0,0]=4 3838 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000210147_100000755918 [0,1,0,0,0,0|3,0,0]=4 3839 B13R1.9 CCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215890 [0,1,0,0,0,0|3,0,0]=4 3840 B13R1.9 CCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210202 [0,1,0,0,0,0|3,0,0]=4 3841 B13R1.9 CCOCCSc1ccc(cc1)F 34a_200000230679_100000210202 [0,1,0,0,0,0|3,0,0]=4 3842 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000210147_100000211213 [0,1,0,0,0,0|3,0,0]=4 3843 B13R1.9 CCOCCSc1ccc(cc1)F 62a_100000211213_100011215890 [0,1,0,0,0,0|3,0,0]=4 3844 B13R1.9 CCOCCSc1ccc(cc1)F 7a_200000230679_100000210202 [0,1,0,0,0,0|3,0,0]=4 3845 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000185761_100011215890 [0,1,0,0,0,0|3,0,0]=4 3846 B13R1.9 CCOCCSc1ccc(cc1)N 62a_100000210147_100000185761 [0,1,0,0,0,0|3,0,0]=4 3847 B13R1.9 CCOCCSc1ccc(cc1)O 62a_100000210147_100000185759 [0,1,0,0,0,0|3,0,0]=4 3848 B13R1.9 CCOCSCc1ccc(cc1)Br 62a_100000189115_100000739092 [0,1,0,0,0,0|3,0,0]=4 3849 B13R1.9 CCOCSCc1ccc(cc1)Br 62a_100000739092_100000189115 [0,1,0,0,0,0|3,0,0]=4 3850 B13R1.9 CCOCSCc1ccc(cc1)C 62a_100000210814_100000739092 [0,1,0,0,0,0|3,0,0]=4 3851 B13R1.9 CCOCSCc1ccc(cc1)C 62a_100000739092_100000210814 [0,1,0,0,0,0|3,0,0]=4 3852 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000187161_100000739092 [0,1,0,0,0,0|3,0,0]=4 3853 B13R1.9 CCOCSCc1ccc(cc1)Cl 62a_100000739092_100000187161 [0,1,0,0,0,0|3,0,0]=4 3854 B13R1.9 CCOCSCc1ccc(cc1)F 62a_100000198546_100000739092 [0,1,0,0,0,0|3,0,0]=4 3855 B13R1.9 CCOCSCc1ccc(cc1)F 62a_100000739092_100000187164 [0,1,0,0,0,0|3,0,0]=4 3856 B13R1.9 CCOCSCc1ccc(cc1)I 62a_100000189116_100000739092 [0,1,0,0,0,0|3,0,0]=4 3857 B13R1.9 CCOCSCc1ccc(cc1)I 62a_100000739092_100000189116 [0,1,0,0,0,0|3,0,0]=4 3858 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100000210202_100011713682 [0,1,0,0,0,0|2,0,0]=3 3859 B13R1.9 CCSCCCc1ccc(cc1)Br 62a_100011713682_100000210202 [0,1,0,0,0,0|2,0,0]=3 3860 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000210202_100000759440 [0,1,0,0,0,0|2,0,0]=3 3861 B13R1.9 CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210202 [0,1,0,0,0,0|2,0,0]=3 3862 B13R1.9 CCSCCCc1ccc(cc1)F 62a_100000210202_200011713563 [0,1,0,0,0,0|2,0,0]=3 3863 B13R1.9 CCSCCCc1ccc(cc1)F 62a_200011713563_100000210202 [0,1,0,0,0,0|2,0,0]=3 3864 B13R1.9 CCSCCNc1ccc(cc1)Br 2230a_100000210018_100000757381 [0,1,0,0,0,0|3,0,0]=4 3865 B13R1.9 CCSCCNc1ccc(cc1)Br 34a_100000210018_100000757381 [0,1,0,0,0,0|3,0,0]=4 3866 B13R1.9 CCSCCNc1ccc(cc1)C 34a_100000124888_100000757381 [0,1,0,0,0,0|3,0,0]=4 3867 B13R1.9 CCSCCNc1ccc(cc1)Cl 2230a_100000210052_100000757381 [0,1,0,0,0,0|3,0,0]=4 3868 B13R1.9 CCSCCNc1ccc(cc1)Cl 34a_100000210052_100000757381 [0,1,0,0,0,0|3,0,0]=4 3869 B13R1.9 CCSCCNc1ccc(cc1)F 34a_100000185862_100000757381 [0,1,0,0,0,0|3,0,0]=4 3870 B13R1.9 CCSCCNc1ccc(cc1)I 34a_100000185761_100000757381 [0,1,0,0,0,0|3,0,0]=4 3871 B13R1.9 CCSCCNc1ccc(cc1)O 34a_100000185829_100000757381 [0,1,0,0,0,0|3,0,0]=4 3872 B13R1.9 CCSCCOc1ccc(cc1)Br 34a_100000185759_100000757381 [0,1,0,0,0,0|3,0,0]=4 3873 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000183278_100000210202 [0,1,0,0,0,0|3,0,0]=4 3874 B13R1.9 CCSCCOc1ccc(cc1)Br 62a_100000210202_100000183278 [0,1,0,0,0,0|3,0,0]=4 3875 B13R1.9 CCSCCOc1ccc(cc1)Br 7a_100000185759_100000757381 [0,1,0,0,0,0|3,0,0]=4 3876 B13R1.9 CCSCCOc1ccc(cc1)C 34a_100000210336_100000757381 [0,1,0,0,0,0|3,0,0]=4 3877 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000183172_100000210202 [0,1,0,0,0,0|3,0,0]=4 3878 B13R1.9 CCSCCOc1ccc(cc1)C 62a_100000210202_100000183172 [0,1,0,0,0,0|3,0,0]=4 3879 B13R1.9 CCSCCOc1ccc(cc1)C 7a_100000210336_100000757381 [0,1,0,0,0,0|3,0,0]=4 3880 B13R1.9 CCSCCOc1ccc(cc1)Cl 34a_100000210216_100000757381 [0,1,0,0,0,0|3,0,0]=4 3881 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210202 [0,1,0,0,0,0|3,0,0]=4 3882 B13R1.9 CCSCCOc1ccc(cc1)Cl 62a_100000210202_100000184122 [0,1,0,0,0,0|3,0,0]=4 3883 B13R1.9 CCSCCOc1ccc(cc1)Cl 7a_100000210216_100000757381 [0,1,0,0,0,0|3,0,0]=4 3884 B13R1.9 CCSCCOc1ccc(cc1)F 34a_100000210339_100000757381 [0,1,0,0,0,0|3,0,0]=4 3885 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000184936_100000210202 [0,1,0,0,0,0|3,0,0]=4 3886 B13R1.9 CCSCCOc1ccc(cc1)F 62a_100000210202_100000184936 [0,1,0,0,0,0|3,0,0]=4 3887 B13R1.9 CCSCCOc1ccc(cc1)I 34a_100000212066_100000757381 [0,1,0,0,0,0|3,0,0]=4 3888 B13R1.9 CCSCCOc1ccc(cc1)I 7a_100000212066_100000757381 [0,1,0,0,0,0|3,0,0]=4 3889 B13R1.9 CCSCCOc1ccc(cc1)N 34a_100000185829_100000757381 [0,1,0,0,0,0|3,0,0]=4 3890 B13R1.9 CCSCCSc1ccc(cc1)Br 62a_100000752885_100000757381 [0,1,0,0,0,0|3,0,0]=4 3891 B13R1.9 CCSCCSc1ccc(cc1)Br 62a_100000757381_100000752885 [0,1,0,0,0,0|3,0,0]=4 3892 B13R1.9 CCSCCSc1ccc(cc1)C 62a_100000186775_100000757381 [0,1,0,0,0,0|3,0,0]=4 3893 B13R1.9 CCSCCSc1ccc(cc1)C 62a_100000757381_100000186775 [0,1,0,0,0,0|3,0,0]=4 3894 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000755918_100000757381 [0,1,0,0,0,0|3,0,0]=4 3895 B13R1.9 CCSCCSc1ccc(cc1)Cl 62a_100000757381_100000755918 [0,1,0,0,0,0|3,0,0]=4 3896 B13R1.9 CCSCCSc1ccc(cc1)F 62a_100000211213_100000757381 [0,1,0,0,0,0|3,0,0]=4 3897 B13R1.9 CCSCCSc1ccc(cc1)F 62a_100000757381_100000211213 [0,1,0,0,0,0|3,0,0]=4 3898 B13R1.9 CCSCCSc1ccc(cc1)N 62a_100000185761_100000757381 [0,1,0,0,0,0|3,0,0]=4 3899 B13R1.9 CCSCCSc1ccc(cc1)N 62a_100000757381_100000185761 [0,1,0,0,0,0|3,0,0]=4 3900 B13R1.9 CCSCCSc1ccc(cc1)O 62a_100000757381_100000185759 [0,1,0,0,0,0|3,0,0]=4 3901 B13R1.9 CNCCCCc1ccc(cc1)Br 2230a_106832991635_200012094861 [0,1,0,0,0,0|2,0,0]=3 3902 B13R1.9 CNCCCCc1ccc(cc1)Br 34a_100102657272_200012094861 [0,1,0,0,0,0|2,0,0]=3 3903 B13R1.9 CNCCCCc1ccc(cc1)Br 7a_106832991635_200012094861 [0,1,0,0,0,0|2,0,0]=3 3904 B13R1.9 CNCCCCc1ccc(cc1)Cl 2230a_100160821348_200000210301 [0,1,0,0,0,0|2,0,0]=3 3905 B13R1.9 CNCCCCc1ccc(cc1)Cl 34a_100160821348_200000210301 [0,1,0,0,0,0|2,0,0]=3 3906 B13R1.9 CNCCCCc1ccc(cc1)F 2230a_106832991635_100012093538 [0,1,0,0,0,0|2,0,0]=3 3907 B13R1.9 CNCCCCc1ccc(cc1)F 34a_100102657272_100012093538 [0,1,0,0,0,0|2,0,0]=3 3908 B13R1.9 CNCCCCc1ccc(cc1)F 7a_106832991635_100012093538 [0,1,0,0,0,0|2,0,0]=3 3909 B13R1.9 CNCCCOc1ccc(cc1)Br 2230a_106832991635_100011259224 [0,1,0,0,0,0|3,0,0]=4 3910 B13R1.9 CNCCCOc1ccc(cc1)Br 34a_100102657272_100011259224 [0,1,0,0,0,0|3,0,0]=4 3911 B13R1.9 CNCCCOc1ccc(cc1)Br 7a_106832991635_100011259224 [0,1,0,0,0,0|3,0,0]=4 3912 B13R1.9 CNCCCOc1ccc(cc1)C 34a_100000747266_200000210301 [0,1,0,0,0,0|3,0,0]=4 3913 B13R1.9 CNCCCOc1ccc(cc1)Cl 2230a_200011199081_200000210301 [0,1,0,0,0,0|3,0,0]=4 3914 B13R1.9 CNCCCOc1ccc(cc1)Cl 34a_200011199081_200000210301 [0,1,0,0,0,0|3,0,0]=4 3915 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_100000747263_200000210301 [0,1,0,0,0,0|3,0,0]=4 3916 B13R1.9 CNCCCOc1ccc(cc1)F 2230a_106832991635_100000181347 [0,1,0,0,0,0|3,0,0]=4 3917 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100000747263_200000210301 [0,1,0,0,0,0|3,0,0]=4 3918 B13R1.9 CNCCCOc1ccc(cc1)F 34a_100102657272_100000181347 [0,1,0,0,0,0|3,0,0]=4 3919 B13R1.9 CNCCCOc1ccc(cc1)F 7a_106832991635_100000181347 [0,1,0,0,0,0|3,0,0]=4 3920 B13R1.9 CNCCCOc1ccc(cc1)O 271570a_203496583355_100102699777 [0,1,0,0,0,0|3,0,0]=4 3921 B13R1.9 CNCCCSc1ccc(cc1)Cl 2230a_100000189518_200000210301 [0,1,0,0,0,0|3,0,0]=4 3922 B13R1.9 CNCCCSc1ccc(cc1)F 2230a_100000683907_200000210301 [0,1,0,0,0,0|3,0,0]=4 3923 B13R1.9 CNCCOCc1ccc(cc1)Cl 2230a_100000189180_200000210301 [0,1,0,0,0,0|3,0,0]=4 3924 B13R1.9 CNCCOCc1ccc(cc1)Cl 34a_100000189180_200000210301 [0,1,0,0,0,0|3,0,0]=4 3925 B13R1.9 CNCCSCc1ccc(cc1)Cl 2230a_100000739548_200000210301 [0,1,0,0,0,0|3,0,0]=4 3926 B13R1.9 CNCCSCc1ccc(cc1)Cl 34a_100000739548_200000210301 [0,1,0,0,0,0|3,0,0]=4 3927 B13R1.9 CNCCSCc1ccc(cc1)Cl 7a_100000739548_200000210301 [0,1,0,0,0,0|3,0,0]=4 3928 B13R1.9 CNCCSCc1ccc(cc1)F 2230a_100020610864_200000210301 [0,1,0,0,0,0|3,0,0]=4 3929 B13R1.9 CNCCSCc1ccc(cc1)F 34a_100020610864_200000210301 [0,1,0,0,0,0|3,0,0]=4 3930 B13R1.9 CNCCSCc1ccc(cc1)F 7a_100020610864_200000210301 [0,1,0,0,0,0|3,0,0]=4 3931 B13R1.9 COCCCCc1ccc(cc1)Br 34a_100138415774_200012094861 [0,1,0,0,0,0|2,0,0]=3 3932 B13R1.9 COCCCCc1ccc(cc1)F 34a_100138415774_100012093538 [0,1,0,0,0,0|2,0,0]=3 3933 B13R1.9 COCCCNc1ccc(cc1)Br 2230a_100000210018_100000740836 [0,1,0,0,0,0|3,0,0]=4 3934 B13R1.9 COCCCNc1ccc(cc1)Br 34a_100000210018_100000740836 [0,1,0,0,0,0|3,0,0]=4 3935 B13R1.9 COCCCNc1ccc(cc1)C 34a_100000124888_100000740836 [0,1,0,0,0,0|3,0,0]=4 3936 B13R1.9 COCCCNc1ccc(cc1)Cl 2230a_100000210052_100000740836 [0,1,0,0,0,0|3,0,0]=4 3937 B13R1.9 COCCCNc1ccc(cc1)Cl 34a_100000210052_100000740836 [0,1,0,0,0,0|3,0,0]=4 3938 B13R1.9 COCCCNc1ccc(cc1)F 34a_100000185862_100000740836 [0,1,0,0,0,0|3,0,0]=4 3939 B13R1.9 COCCCNc1ccc(cc1)I 34a_100000185761_100000740836 [0,1,0,0,0,0|3,0,0]=4 3940 B13R1.9 COCCCNc1ccc(cc1)O 34a_100000185829_100000740836 [0,1,0,0,0,0|3,0,0]=4 3941 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000185759_100000740836 [0,1,0,0,0,0|3,0,0]=4 3942 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100000756186_200000210301 [0,1,0,0,0,0|3,0,0]=4 3943 B13R1.9 COCCCOc1ccc(cc1)Br 34a_100138415774_100011259224 [0,1,0,0,0,0|3,0,0]=4 3944 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000185759_100000740836 [0,1,0,0,0,0|3,0,0]=4 3945 B13R1.9 COCCCOc1ccc(cc1)Br 7a_100000756186_200000210301 [0,1,0,0,0,0|3,0,0]=4 3946 B13R1.9 COCCCOc1ccc(cc1)C 34a_100000210336_100000740836 [0,1,0,0,0,0|3,0,0]=4 3947 B13R1.9 COCCCOc1ccc(cc1)C 7a_100000210336_100000740836 [0,1,0,0,0,0|3,0,0]=4 3948 B13R1.9 COCCCOc1ccc(cc1)Cl 34a_100000210216_100000740836 [0,1,0,0,0,0|3,0,0]=4 3949 B13R1.9 COCCCOc1ccc(cc1)Cl 7a_100000210216_100000740836 [0,1,0,0,0,0|3,0,0]=4 3950 B13R1.9 COCCCOc1ccc(cc1)F 34a_100000210339_100000740836 [0,1,0,0,0,0|3,0,0]=4 3951 B13R1.9 COCCCOc1ccc(cc1)F 34a_100138415774_100000181347 [0,1,0,0,0,0|3,0,0]=4 3952 B13R1.9 COCCCOc1ccc(cc1)I 34a_100000212066_100000740836 [0,1,0,0,0,0|3,0,0]=4 3953 B13R1.9 COCCCOc1ccc(cc1)I 7a_100000212066_100000740836 [0,1,0,0,0,0|3,0,0]=4 3954 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000185829_100000740836 [0,1,0,0,0,0|3,0,0]=4 3955 B13R1.9 COCCCOc1ccc(cc1)N 34a_100000730458_200000210301 [0,1,0,0,0,0|3,0,0]=4 3956 B13R1.9 COCCCOc1ccc(cc1)O 271570a_203496583355_200011326559 [0,1,0,0,0,0|3,0,0]=4 3957 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000709357_100000752885 [0,1,0,0,0,0|3,0,0]=4 3958 B13R1.9 COCCCSc1ccc(cc1)Br 62a_100000752885_100000709357 [0,1,0,0,0,0|3,0,0]=4 3959 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000186775_100000709357 [0,1,0,0,0,0|3,0,0]=4 3960 B13R1.9 COCCCSc1ccc(cc1)C 62a_100000709357_100000186775 [0,1,0,0,0,0|3,0,0]=4 3961 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000709357_100000755918 [0,1,0,0,0,0|3,0,0]=4 3962 B13R1.9 COCCCSc1ccc(cc1)Cl 62a_100000755918_100000709357 [0,1,0,0,0,0|3,0,0]=4 3963 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000211213_100000709357 [0,1,0,0,0,0|3,0,0]=4 3964 B13R1.9 COCCCSc1ccc(cc1)F 62a_100000709357_100000211213 [0,1,0,0,0,0|3,0,0]=4 3965 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000185761_100000709357 [0,1,0,0,0,0|3,0,0]=4 3966 B13R1.9 COCCCSc1ccc(cc1)N 62a_100000709357_100000185761 [0,1,0,0,0,0|3,0,0]=4 3967 B13R1.9 COCCCSc1ccc(cc1)O 62a_100000709357_100000185759 [0,1,0,0,0,0|3,0,0]=4 3968 B13R1.9 COCCNCc1ccc(cc1)Br 207a_100000209980_100000186029 [0,1,0,0,0,0|3,0,0]=4 3969 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000174875_100011201679 [0,1,0,0,0,0|3,0,0]=4 3970 B13R1.9 COCCNCc1ccc(cc1)Br 2230a_100000209980_100011217064 [0,1,0,0,0,0|3,0,0]=4 3971 B13R1.9 COCCNCc1ccc(cc1)Br 270004a_100000209980_100000186029 [0,1,0,0,0,0|3,0,0]=4 3972 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000174875_100011201679 [0,1,0,0,0,0|3,0,0]=4 3973 B13R1.9 COCCNCc1ccc(cc1)Br 34a_100000186819_200000210301 [0,1,0,0,0,0|3,0,0]=4 3974 B13R1.9 COCCNCc1ccc(cc1)C 207a_100000209980_100000211033 [0,1,0,0,0,0|3,0,0]=4 3975 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000174908_100011201679 [0,1,0,0,0,0|3,0,0]=4 3976 B13R1.9 COCCNCc1ccc(cc1)C 2230a_100000209980_100000210814 [0,1,0,0,0,0|3,0,0]=4 3977 B13R1.9 COCCNCc1ccc(cc1)C 270004a_100000209980_100000211033 [0,1,0,0,0,0|3,0,0]=4 3978 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000174908_100011201679 [0,1,0,0,0,0|3,0,0]=4 3979 B13R1.9 COCCNCc1ccc(cc1)C 34a_100000186992_200000210301 [0,1,0,0,0,0|3,0,0]=4 3980 B13R1.9 COCCNCc1ccc(cc1)Cl 207a_100000209980_100000189385 [0,1,0,0,0,0|3,0,0]=4 3981 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000174871_100011201679 [0,1,0,0,0,0|3,0,0]=4 3982 B13R1.9 COCCNCc1ccc(cc1)Cl 2230a_100000209980_100000694040 [0,1,0,0,0,0|3,0,0]=4 3983 B13R1.9 COCCNCc1ccc(cc1)Cl 270004a_100000209980_100000189385 [0,1,0,0,0,0|3,0,0]=4 3984 B13R1.9 COCCNCc1ccc(cc1)Cl 34a_100000174871_100011201679 [0,1,0,0,0,0|3,0,0]=4 3985 B13R1.9 COCCNCc1ccc(cc1)F 207a_100000209980_100000210084 [0,1,0,0,0,0|3,0,0]=4 3986 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000174882_100011201679 [0,1,0,0,0,0|3,0,0]=4 3987 B13R1.9 COCCNCc1ccc(cc1)F 2230a_100000209980_100000198546 [0,1,0,0,0,0|3,0,0]=4 3988 B13R1.9 COCCNCc1ccc(cc1)F 270004a_100000209980_100000210084 [0,1,0,0,0,0|3,0,0]=4 3989 B13R1.9 COCCNCc1ccc(cc1)F 34a_100000174882_100011201679 [0,1,0,0,0,0|3,0,0]=4 3990 B13R1.9 COCCNCc1ccc(cc1)F 34a_100015183715_200000210301 [0,1,0,0,0,0|3,0,0]=4 3991 B13R1.9 COCCNCc1ccc(cc1)I 207a_100000209980_100000188517 [0,1,0,0,0,0|3,0,0]=4 3992 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100000209980_100000189116 [0,1,0,0,0,0|3,0,0]=4 3993 B13R1.9 COCCNCc1ccc(cc1)I 2230a_100016989417_100011201679 [0,1,0,0,0,0|3,0,0]=4 3994 B13R1.9 COCCNCc1ccc(cc1)I 34a_100016989417_100011201679 [0,1,0,0,0,0|3,0,0]=4 3995 B13R1.9 COCCNCc1ccc(cc1)O 271570a_203496583355_100015187160 [0,1,0,0,0,0|3,0,0]=4 3996 B13R1.9 COCCNCc1ccc(cc1)O 34a_100000185549_100011201679 [0,1,0,0,0,0|3,0,0]=4 3997 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000210237_100000189115 [0,1,0,0,0,0|3,0,0]=4 3998 B13R1.9 COCCOCc1ccc(cc1)Br 34a_100000695286_100011201679 [0,1,0,0,0,0|3,0,0]=4 3999 B13R1.9 COCCOCc1ccc(cc1)C 34a_100000210237_100000210814 [0,1,0,0,0,0|3,0,0]=4 4000 B13R1.9 COCCOCc1ccc(cc1)C 34a_100011215236_100011201679 [0,1,0,0,0,0|3,0,0]=4 4001 B13R1.9 COCCOCc1ccc(cc1)C 7a_100011215236_100000233755 [0,1,0,0,0,0|3,0,0]=4 4002 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000210237_100000694040 [0,1,0,0,0,0|3,0,0]=4 4003 B13R1.9 COCCOCc1ccc(cc1)Cl 34a_100000211118_100011201679 [0,1,0,0,0,0|3,0,0]=4 4004 B13R1.9 COCCOCc1ccc(cc1)Cl 7a_100000211118_100000233755 [0,1,0,0,0,0|3,0,0]=4 4005 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210237_100000198546 [0,1,0,0,0,0|3,0,0]=4 4006 B13R1.9 COCCOCc1ccc(cc1)F 34a_100000210977_100011201679 [0,1,0,0,0,0|3,0,0]=4 4007 B13R1.9 COCCOCc1ccc(cc1)F 7a_100000210977_100000233755 [0,1,0,0,0,0|3,0,0]=4 4008 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000210237_100000189116 [0,1,0,0,0,0|3,0,0]=4 4009 B13R1.9 COCCOCc1ccc(cc1)I 34a_100000690907_100011201679 [0,1,0,0,0,0|3,0,0]=4 4010 B13R1.9 COCCOCc1ccc(cc1)I 7a_100000690907_100000233755 [0,1,0,0,0,0|3,0,0]=4 4011 B13R1.9 COCCOCc1ccc(cc1)N 34a_100011215238_100011201679 [0,1,0,0,0,0|3,0,0]=4 4012 B13R1.9 COCCOCc1ccc(cc1)O 271570a_203496583355_100000755069 [0,1,0,0,0,0|3,0,0]=4 4013 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000189115_100000233755 [0,1,0,0,0,0|3,0,0]=4 4014 B13R1.9 COCCSCc1ccc(cc1)Br 62a_100000233755_100000189115 [0,1,0,0,0,0|3,0,0]=4 4015 B13R1.9 COCCSCc1ccc(cc1)C 34a_100011212911_200000210301 [0,1,0,0,0,0|3,0,0]=4 4016 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000210814_100000233755 [0,1,0,0,0,0|3,0,0]=4 4017 B13R1.9 COCCSCc1ccc(cc1)C 62a_100000233755_100000210814 [0,1,0,0,0,0|3,0,0]=4 4018 B13R1.9 COCCSCc1ccc(cc1)C 7a_100011212911_200000210301 [0,1,0,0,0,0|3,0,0]=4 4019 B13R1.9 COCCSCc1ccc(cc1)Cl 34a_200000186141_200000210301 [0,1,0,0,0,0|3,0,0]=4 4020 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000187161_100000233755 [0,1,0,0,0,0|3,0,0]=4 4021 B13R1.9 COCCSCc1ccc(cc1)Cl 62a_100000233755_100000187161 [0,1,0,0,0,0|3,0,0]=4 4022 B13R1.9 COCCSCc1ccc(cc1)Cl 7a_200000186141_200000210301 [0,1,0,0,0,0|3,0,0]=4 4023 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000198546_100000233755 [0,1,0,0,0,0|3,0,0]=4 4024 B13R1.9 COCCSCc1ccc(cc1)F 62a_100000233755_100000187164 [0,1,0,0,0,0|3,0,0]=4 4025 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000189116_100000233755 [0,1,0,0,0,0|3,0,0]=4 4026 B13R1.9 COCCSCc1ccc(cc1)I 62a_100000233755_100000189116 [0,1,0,0,0,0|3,0,0]=4 4027 B13R1.9 COCNCCc1ccc(cc1)Br 2230a_100000755846_100000766300 [0,1,0,0,0,0|3,0,0]=4 4028 B13R1.9 COCNCCc1ccc(cc1)C 2230a_100000705350_100000766300 [0,1,0,0,0,0|3,0,0]=4 4029 B13R1.9 COCNCCc1ccc(cc1)Cl 2230a_100000185265_100000766300 [0,1,0,0,0,0|3,0,0]=4 4030 B13R1.9 COCNCCc1ccc(cc1)F 2230a_100000199005_100000766300 [0,1,0,0,0,0|3,0,0]=4 4031 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100000766300_100011740612 [0,1,0,0,0,0|3,0,0]=4 4032 B13R1.9 COCSCCc1ccc(cc1)Br 62a_100011740612_100000766300 [0,1,0,0,0,0|3,0,0]=4 4033 B13R1.9 COCSCCc1ccc(cc1)C 62a_100000766300_100011713686 [0,1,0,0,0,0|3,0,0]=4 4034 B13R1.9 COCSCCc1ccc(cc1)C 62a_100011713686_100000766300 [0,1,0,0,0,0|3,0,0]=4 4035 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100000766300_100011713675 [0,1,0,0,0,0|3,0,0]=4 4036 B13R1.9 COCSCCc1ccc(cc1)Cl 62a_100011713675_100000766300 [0,1,0,0,0,0|3,0,0]=4 4037 B13R1.9 COCSCCc1ccc(cc1)F 62a_100000766300_100011217392 [0,1,0,0,0,0|3,0,0]=4 4038 B13R1.9 COCSCCc1ccc(cc1)F 62a_100011217392_100000766300 [0,1,0,0,0,0|3,0,0]=4 4039 B13R1.9 COCSCCc1ccc(cc1)O 62a_100000766300_100009816426 [0,1,0,0,0,0|3,0,0]=4 4040 B13R1.9 COCSCCc1ccc(cc1)O 62a_100009816426_100000766300 [0,1,0,0,0,0|3,0,0]=4 4041 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200000210301_200012094861 [0,1,0,0,0,0|2,0,0]=3 4042 B13R1.9 CSCCCCc1ccc(cc1)Br 62a_200012094861_200000210301 [0,1,0,0,0,0|2,0,0]=3 4043 B13R1.9 CSCCCCc1ccc(cc1)F 62a_100012093538_200000210301 [0,1,0,0,0,0|2,0,0]=3 4044 B13R1.9 CSCCCCc1ccc(cc1)F 62a_200000210301_100012093538 [0,1,0,0,0,0|2,0,0]=3 4045 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_100011259224_200000210301 [0,1,0,0,0,0|3,0,0]=4 4046 B13R1.9 CSCCCOc1ccc(cc1)Br 62a_200000210301_100011259224 [0,1,0,0,0,0|3,0,0]=4 4047 B13R1.9 CSCCCOc1ccc(cc1)F 62a_100000181347_200000210301 [0,1,0,0,0,0|3,0,0]=4 4048 B13R1.9 CSCCCOc1ccc(cc1)F 62a_200000210301_100000181347 [0,1,0,0,0,0|3,0,0]=4 4049 B13R1.9 CSCCNCc1ccc(cc1)Br 207a_100020590264_100000186029 [0,1,0,0,0,0|3,0,0]=4 4050 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100000174875_100000751147 [0,1,0,0,0,0|3,0,0]=4 4051 B13R1.9 CSCCNCc1ccc(cc1)Br 2230a_100020590264_100011217064 [0,1,0,0,0,0|3,0,0]=4 4052 B13R1.9 CSCCNCc1ccc(cc1)Br 270004a_100020590264_100000186029 [0,1,0,0,0,0|3,0,0]=4 4053 B13R1.9 CSCCNCc1ccc(cc1)Br 34a_100000174875_100000212216 [0,1,0,0,0,0|3,0,0]=4 4054 B13R1.9 CSCCNCc1ccc(cc1)C 207a_100020590264_100000211033 [0,1,0,0,0,0|3,0,0]=4 4055 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100000174908_100000751147 [0,1,0,0,0,0|3,0,0]=4 4056 B13R1.9 CSCCNCc1ccc(cc1)C 2230a_100020590264_100000210814 [0,1,0,0,0,0|3,0,0]=4 4057 B13R1.9 CSCCNCc1ccc(cc1)C 270004a_100020590264_100000211033 [0,1,0,0,0,0|3,0,0]=4 4058 B13R1.9 CSCCNCc1ccc(cc1)C 34a_100000174908_100000212216 [0,1,0,0,0,0|3,0,0]=4 4059 B13R1.9 CSCCNCc1ccc(cc1)Cl 207a_100020590264_100000189385 [0,1,0,0,0,0|3,0,0]=4 4060 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000751147 [0,1,0,0,0,0|3,0,0]=4 4061 B13R1.9 CSCCNCc1ccc(cc1)Cl 2230a_100020590264_100000694040 [0,1,0,0,0,0|3,0,0]=4 4062 B13R1.9 CSCCNCc1ccc(cc1)Cl 270004a_100020590264_100000189385 [0,1,0,0,0,0|3,0,0]=4 4063 B13R1.9 CSCCNCc1ccc(cc1)Cl 34a_100000174871_100000212216 [0,1,0,0,0,0|3,0,0]=4 4064 B13R1.9 CSCCNCc1ccc(cc1)F 207a_100020590264_100000210084 [0,1,0,0,0,0|3,0,0]=4 4065 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100000174882_100000751147 [0,1,0,0,0,0|3,0,0]=4 4066 B13R1.9 CSCCNCc1ccc(cc1)F 2230a_100020590264_100000198546 [0,1,0,0,0,0|3,0,0]=4 4067 B13R1.9 CSCCNCc1ccc(cc1)F 270004a_100020590264_100000210084 [0,1,0,0,0,0|3,0,0]=4 4068 B13R1.9 CSCCNCc1ccc(cc1)F 34a_100000174882_100000212216 [0,1,0,0,0,0|3,0,0]=4 4069 B13R1.9 CSCCNCc1ccc(cc1)I 207a_100020590264_100000188517 [0,1,0,0,0,0|3,0,0]=4 4070 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100016989417_100000751147 [0,1,0,0,0,0|3,0,0]=4 4071 B13R1.9 CSCCNCc1ccc(cc1)I 2230a_100020590264_100000189116 [0,1,0,0,0,0|3,0,0]=4 4072 B13R1.9 CSCCNCc1ccc(cc1)I 34a_100016989417_100000212216 [0,1,0,0,0,0|3,0,0]=4 4073 B13R1.9 CSCCNCc1ccc(cc1)O 34a_100000185549_100000212216 [0,1,0,0,0,0|3,0,0]=4 4074 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000230434_100000189115 [0,1,0,0,0,0|3,0,0]=4 4075 B13R1.9 CSCCOCc1ccc(cc1)Br 34a_100000695286_100000212216 [0,1,0,0,0,0|3,0,0]=4 4076 B13R1.9 CSCCOCc1ccc(cc1)Br 7a_100000230434_100011217064 [0,1,0,0,0,0|3,0,0]=4 4077 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100000230434_100000210814 [0,1,0,0,0,0|3,0,0]=4 4078 B13R1.9 CSCCOCc1ccc(cc1)C 34a_100011215236_100000212216 [0,1,0,0,0,0|3,0,0]=4 4079 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100000230434_100000210814 [0,1,0,0,0,0|3,0,0]=4 4080 B13R1.9 CSCCOCc1ccc(cc1)C 7a_100011215236_100000212216 [0,1,0,0,0,0|3,0,0]=4 4081 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000211118_100000212216 [0,1,0,0,0,0|3,0,0]=4 4082 B13R1.9 CSCCOCc1ccc(cc1)Cl 34a_100000230434_100000694040 [0,1,0,0,0,0|3,0,0]=4 4083 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000211118_100000212216 [0,1,0,0,0,0|3,0,0]=4 4084 B13R1.9 CSCCOCc1ccc(cc1)Cl 7a_100000230434_100000187161 [0,1,0,0,0,0|3,0,0]=4 4085 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000210977_100000212216 [0,1,0,0,0,0|3,0,0]=4 4086 B13R1.9 CSCCOCc1ccc(cc1)F 34a_100000230434_100000198546 [0,1,0,0,0,0|3,0,0]=4 4087 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000210977_100000212216 [0,1,0,0,0,0|3,0,0]=4 4088 B13R1.9 CSCCOCc1ccc(cc1)F 7a_100000230434_100000198546 [0,1,0,0,0,0|3,0,0]=4 4089 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000230434_100000189116 [0,1,0,0,0,0|3,0,0]=4 4090 B13R1.9 CSCCOCc1ccc(cc1)I 34a_100000690907_100000212216 [0,1,0,0,0,0|3,0,0]=4 4091 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000230434_100000189116 [0,1,0,0,0,0|3,0,0]=4 4092 B13R1.9 CSCCOCc1ccc(cc1)I 7a_100000690907_100000212216 [0,1,0,0,0,0|3,0,0]=4 4093 B13R1.9 CSCCOCc1ccc(cc1)N 34a_100011215238_100000212216 [0,1,0,0,0,0|3,0,0]=4 4094 B13R1.9 CSCCSCc1ccc(cc1)Br 62a_100000189115_100000751147 [0,1,0,0,0,0|3,0,0]=4 4095 B13R1.9 CSCCSCc1ccc(cc1)Br 62a_100000212216_100000189115 [0,1,0,0,0,0|3,0,0]=4 4096 B13R1.9 CSCCSCc1ccc(cc1)C 62a_100000210814_100000751147 [0,1,0,0,0,0|3,0,0]=4 4097 B13R1.9 CSCCSCc1ccc(cc1)C 62a_100000212216_100000210814 [0,1,0,0,0,0|3,0,0]=4 4098 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000187161_100000751147 [0,1,0,0,0,0|3,0,0]=4 4099 B13R1.9 CSCCSCc1ccc(cc1)Cl 62a_100000212216_100000187161 [0,1,0,0,0,0|3,0,0]=4 4100 B13R1.9 CSCCSCc1ccc(cc1)F 62a_100000198546_100000751147 [0,1,0,0,0,0|3,0,0]=4 4101 B13R1.9 CSCCSCc1ccc(cc1)F 62a_100000212216_100000187164 [0,1,0,0,0,0|3,0,0]=4 4102 B13R1.9 CSCCSCc1ccc(cc1)I 62a_100000189116_100000751147 [0,1,0,0,0,0|3,0,0]=4 4103 B13R1.9 CSCCSCc1ccc(cc1)I 62a_100000212216_100000189116 [0,1,0,0,0,0|3,0,0]=4 4104 B13R1.9 CSCNCCc1ccc(cc1)Br 2230a_100000755846_100011218213 [0,1,0,0,0,0|3,0,0]=4 4105 B13R1.9 CSCNCCc1ccc(cc1)Br 34a_100000755846_100011218213 [0,1,0,0,0,0|3,0,0]=4 4106 B13R1.9 CSCNCCc1ccc(cc1)C 2230a_100000705350_100011218213 [0,1,0,0,0,0|3,0,0]=4 4107 B13R1.9 CSCNCCc1ccc(cc1)C 34a_100000705350_100011218213 [0,1,0,0,0,0|3,0,0]=4 4108 B13R1.9 CSCNCCc1ccc(cc1)Cl 2230a_100000185265_100011218213 [0,1,0,0,0,0|3,0,0]=4 4109 B13R1.9 CSCNCCc1ccc(cc1)Cl 34a_100000185265_100011218213 [0,1,0,0,0,0|3,0,0]=4 4110 B13R1.9 CSCNCCc1ccc(cc1)F 2230a_100000199005_100011218213 [0,1,0,0,0,0|3,0,0]=4 4111 B13R1.9 CSCNCCc1ccc(cc1)F 34a_100000199005_100011218213 [0,1,0,0,0,0|3,0,0]=4 4112 B13R1.9 CSCNCCc1ccc(cc1)O 34a_100000743037_100011218213 [0,1,0,0,0,0|3,0,0]=4 4113 B13R1.9 CSCOCCc1ccc(cc1)Br 34a_100000766406_100011218213 [0,1,0,0,0,0|3,0,0]=4 4114 B13R1.9 CSCOCCc1ccc(cc1)C 34a_100000756670_100011218213 [0,1,0,0,0,0|3,0,0]=4 4115 B13R1.9 CSCOCCc1ccc(cc1)Cl 34a_100011219627_100011218213 [0,1,0,0,0,0|3,0,0]=4 4116 B13R1.9 CSCOCCc1ccc(cc1)F 34a_100000754732_100011218213 [0,1,0,0,0,0|3,0,0]=4 4117 B13R1.9 CSCOCCc1ccc(cc1)I 34a_100012291149_100011218213 [0,1,0,0,0,0|3,0,0]=4 4118 B13R1.9 CSCOCCc1ccc(cc1)N 34a_100011204434_100011218213 [0,1,0,0,0,0|3,0,0]=4 4119 B13R1.9 CSCSCCc1ccc(cc1)Br 62a_100011218213_100011740612 [0,1,0,0,0,0|3,0,0]=4 4120 B13R1.9 CSCSCCc1ccc(cc1)Br 62a_100011740612_100011218213 [0,1,0,0,0,0|3,0,0]=4 4121 B13R1.9 CSCSCCc1ccc(cc1)C 62a_100011218213_100011713686 [0,1,0,0,0,0|3,0,0]=4 4122 B13R1.9 CSCSCCc1ccc(cc1)C 62a_100011713686_100011218213 [0,1,0,0,0,0|3,0,0]=4 4123 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011218213_100011713675 [0,1,0,0,0,0|3,0,0]=4 4124 B13R1.9 CSCSCCc1ccc(cc1)Cl 62a_100011713675_100011218213 [0,1,0,0,0,0|3,0,0]=4 4125 B13R1.9 CSCSCCc1ccc(cc1)F 62a_100011217392_100011218213 [0,1,0,0,0,0|3,0,0]=4 4126 B13R1.9 CSCSCCc1ccc(cc1)F 62a_100011218213_100011217392 [0,1,0,0,0,0|3,0,0]=4 4127 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100009816426_100011218213 [0,1,0,0,0,0|3,0,0]=4 4128 B13R1.9 CSCSCCc1ccc(cc1)O 62a_100011218213_100009816426 [0,1,0,0,0,0|3,0,0]=4 4129 B13R1.9 C[n+]1ccc(cc1)COCCCF 34a_100009831711_100011934791 [0,1,0,0,0,0|3,0,0]=4 4130 B13R1.9 C[n+]1ccc(cc1)COCCCO 34a_100009831711_100000230001 [0,1,0,0,0,0|2,0,0]=3 4131 B13R1.9 Cc1ccc(cc1)C=NNCCO 4a_100000210001_100000211033 [0,1,0,0,0,0|2,0,1]=4 4132 B13R1.9 Cc1ccc(cc1)CCCNCF 34a_100011236272_100015361967 [0,1,0,0,0,0|2,0,0]=3 4133 B13R1.9 Cc1ccc(cc1)CCCOCF 34a_100000189427_100015361967 [0,1,0,0,0,0|2,0,0]=3 4134 B13R1.9 Cc1ccc(cc1)CCCOCF 7a_100000189427_100015361967 [0,1,0,0,0,0|2,0,0]=3 4135 B13R1.9 Cc1ccc(cc1)CCNCC#N 2230a_100000705350_100011215382 [0,1,0,0,0,0|2,0,1]=4 4136 B13R1.9 Cc1ccc(cc1)CCNCC=O 2230a_100000705350_200015260668 [0,1,0,0,0,0|1,0,2]=4 4137 B13R1.9 Cc1ccc(cc1)CCNCC=O 34a_100000705350_200009817547 [0,1,0,0,0,0|1,0,2]=4 4138 B13R1.9 Cc1ccc(cc1)CCNCCF 2230a_100000705350_100011217306 [0,1,0,0,0,0|2,0,0]=3 4139 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000705350_100011217306 [0,1,0,0,0,0|2,0,0]=3 4140 B13R1.9 Cc1ccc(cc1)CCNCCF 34a_100000724931_100011713686 [0,1,0,0,0,0|2,0,0]=3 4141 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100000705350_100000211926 [0,1,0,0,0,0|1,0,0]=2 4142 B13R1.9 Cc1ccc(cc1)CCNCCO 2230a_100016997473_100011713686 [0,1,0,0,0,0|1,0,0]=2 4143 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100000705350_100000211926 [0,1,0,0,0,0|1,0,0]=2 4144 B13R1.9 Cc1ccc(cc1)CCNCCO 34a_100016990907_100011713686 [0,1,0,0,0,0|1,0,0]=2 4145 B13R1.9 Cc1ccc(cc1)CCOCC#N 7a_100000756670_100011215382 [0,1,0,0,0,0|2,0,1]=4 4146 B13R1.9 Cc1ccc(cc1)CCOCC=O 34a_100000756670_200009817547 [0,1,0,0,0,0|1,0,2]=4 4147 B13R1.9 Cc1ccc(cc1)CCOCC=O 7a_100000756670_200015260668 [0,1,0,0,0,0|1,0,2]=4 4148 B13R1.9 Cc1ccc(cc1)CCOCCBr 34a_100000211926_100011713686 [0,1,0,0,0,0|2,0,0]=3 4149 B13R1.9 Cc1ccc(cc1)CCOCCF 34a_100000756670_100011217306 [0,1,0,0,0,0|2,0,0]=3 4150 B13R1.9 Cc1ccc(cc1)CCOCCF 7a_100000756670_100011217306 [0,1,0,0,0,0|2,0,0]=3 4151 B13R1.9 Cc1ccc(cc1)CCOCCN 34a_100000210304_100011713686 [0,1,0,0,0,0|2,0,0]=3 4152 B13R1.9 Cc1ccc(cc1)CCOCCO 34a_100000756670_100000211926 [0,1,0,0,0,0|1,0,0]=2 4153 B13R1.9 Cc1ccc(cc1)CCOCCO 7a_100000756670_100000211926 [0,1,0,0,0,0|1,0,0]=2 4154 B13R1.9 Cc1ccc(cc1)CCSCC#N 62a_100011215382_100011713686 [0,1,0,0,0,0|2,0,1]=4 4155 B13R1.9 Cc1ccc(cc1)CCSCC#N 62a_100011713686_100011215382 [0,1,0,0,0,0|2,0,1]=4 4156 B13R1.9 Cc1ccc(cc1)CCSCC=O 62a_100011713686_200015260668 [0,1,0,0,0,0|1,0,2]=4 4157 B13R1.9 Cc1ccc(cc1)CCSCC=O 62a_200015260668_100011713686 [0,1,0,0,0,0|1,0,2]=4 4158 B13R1.9 Cc1ccc(cc1)CCSCCF 62a_100011217306_100011713686 [0,1,0,0,0,0|2,0,0]=3 4159 B13R1.9 Cc1ccc(cc1)CCSCCF 62a_100011713686_100011217306 [0,1,0,0,0,0|2,0,0]=3 4160 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100000211926_100011713686 [0,1,0,0,0,0|1,0,0]=2 4161 B13R1.9 Cc1ccc(cc1)CCSCCO 62a_100011713686_100000211926 [0,1,0,0,0,0|1,0,0]=2 4162 B13R1.9 Cc1ccc(cc1)CNCCC#N 2230a_100000174908_100011215226 [0,1,0,0,0,0|2,0,1]=4 4163 B13R1.9 Cc1ccc(cc1)CNCCC#N 270004a_100000720768_100000211033 [0,1,0,0,0,0|2,0,1]=4 4164 B13R1.9 Cc1ccc(cc1)CNCCCF 207a_100015189416_100000211033 [0,1,0,0,0,0|2,0,0]=3 4165 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100000174908_100011934791 [0,1,0,0,0,0|2,0,0]=3 4166 B13R1.9 Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000210814 [0,1,0,0,0,0|2,0,0]=3 4167 B13R1.9 Cc1ccc(cc1)CNCCCF 270004a_100015189416_100000211033 [0,1,0,0,0,0|2,0,0]=3 4168 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100000174908_100011934791 [0,1,0,0,0,0|2,0,0]=3 4169 B13R1.9 Cc1ccc(cc1)CNCCCF 34a_100015189416_100000210814 [0,1,0,0,0,0|2,0,0]=3 4170 B13R1.9 Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211033 [0,1,0,0,0,0|1,0,0]=2 4171 B13R1.9 Cc1ccc(cc1)CNCCCO 2230a_100000174908_100000230001 [0,1,0,0,0,0|1,0,0]=2 4172 B13R1.9 Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211033 [0,1,0,0,0,0|1,0,0]=2 4173 B13R1.9 Cc1ccc(cc1)CNCCCO 34a_100000174908_100000230001 [0,1,0,0,0,0|1,0,0]=2 4174 B13R1.9 Cc1ccc(cc1)CNCCO[13CH3] 34a_100000186992_200025704644 [0,1,0,0,0,0|3,0,0]=4 4175 B13R1.9 Cc1ccc(cc1)COCCC#N 7a_100011215236_100000184422 [0,1,0,0,0,0|2,0,1]=4 4176 B13R1.9 Cc1ccc(cc1)COCCCBr 34a_100011217188_100000210814 [0,1,0,0,0,0|2,0,0]=3 4177 B13R1.9 Cc1ccc(cc1)COCCCCl 34a_100000230001_100000210814 [0,1,0,0,0,0|2,0,0]=3 4178 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100000759539_100000210814 [0,1,0,0,0,0|2,0,0]=3 4179 B13R1.9 Cc1ccc(cc1)COCCCF 34a_100011215236_100011934791 [0,1,0,0,0,0|2,0,0]=3 4180 B13R1.9 Cc1ccc(cc1)COCCCF 7a_100011215236_100011934791 [0,1,0,0,0,0|2,0,0]=3 4181 B13R1.9 Cc1ccc(cc1)COCCCN 34a_100000182051_100000210814 [0,1,0,0,0,0|2,0,0]=3 4182 B13R1.9 Cc1ccc(cc1)COCCCO 34a_100011215236_100000230001 [0,1,0,0,0,0|1,0,0]=2 4183 B13R1.9 Cc1ccc(cc1)COCCCO 7a_100011215236_100011215043 [0,1,0,0,0,0|1,0,0]=2 4184 B13R1.9 Cc1ccc(cc1)COCCON 34a_100000700252_100000210814 [0,1,0,0,0,0|3,0,0]=4 4185 B13R1.9 Cc1ccc(cc1)CSCCC#N 62a_100000210814_100011215226 [0,1,0,0,0,0|2,0,1]=4 4186 B13R1.9 Cc1ccc(cc1)CSCCC#N 62a_100011215226_100000210814 [0,1,0,0,0,0|2,0,1]=4 4187 B13R1.9 Cc1ccc(cc1)CSCCCF 62a_100000210814_100011934791 [0,1,0,0,0,0|2,0,0]=3 4188 B13R1.9 Cc1ccc(cc1)CSCCCF 62a_100011934791_100000210814 [0,1,0,0,0,0|2,0,0]=3 4189 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100000210814_100011215043 [0,1,0,0,0,0|1,0,0]=2 4190 B13R1.9 Cc1ccc(cc1)CSCCCO 62a_100011215043_100000210814 [0,1,0,0,0,0|1,0,0]=2 4191 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 34a_100011212911_200025704644 [0,1,0,0,0,0|3,0,0]=4 4192 B13R1.9 Cc1ccc(cc1)CSCCO[13CH3] 7a_100011212911_200025704644 [0,1,0,0,0,0|3,0,0]=4 4193 B13R1.9 Cc1ccc(cc1)NCC#CCO 34a_100000124888_200000047223 [0,1,0,0,0,0|1,0,2]=4 4194 B13R1.9 Cc1ccc(cc1)NCCCCF 34a_100000124888_100000729493 [0,1,0,0,0,0|2,0,0]=3 4195 B13R1.9 Cc1ccc(cc1)NCCCCO 34a_100000124888_100011216708 [0,1,0,0,0,0|1,0,0]=2 4196 B13R1.9 Cc1ccc(cc1)OCC#CCO 34a_100000210336_200000047223 [0,1,0,0,0,0|1,0,2]=4 4197 B13R1.9 Cc1ccc(cc1)OCC#CCO 7a_100000210336_200000047223 [0,1,0,0,0,0|1,0,2]=4 4198 B13R1.9 Cc1ccc(cc1)OCCCC#N 7a_100000210336_100000687738 [0,1,0,0,0,0|2,0,1]=4 4199 B13R1.9 Cc1ccc(cc1)OCCCC=O 7a_100000210336_200011292268 [0,1,0,0,0,0|1,0,2]=4 4200 B13R1.9 Cc1ccc(cc1)OCCCCF 34a_100000210336_100000729493 [0,1,0,0,0,0|2,0,0]=3 4201 B13R1.9 Cc1ccc(cc1)OCCCCF 7a_100000210336_100000729493 [0,1,0,0,0,0|2,0,0]=3 4202 B13R1.9 Cc1ccc(cc1)OCCCCO 34a_100000210336_100011216708 [0,1,0,0,0,0|1,0,0]=2 4203 B13R1.9 Cc1ccc(cc1)OCCCCO 7a_100000210336_100000210776 [0,1,0,0,0,0|1,0,0]=2 4204 B13R1.9 Cc1ccc(cc1)OCCCN[13CH3] 34a_100000747266_200025704644 [0,1,0,0,0,0|3,0,0]=4 4205 B13R1.9 Cc1ccc(cc1)OCCNCF 34a_100020666663_100015361967 [0,1,0,0,0,0|3,0,0]=4 4206 B13R1.9 Cc1ccc(cc1)OCCOCF 34a_100011219107_100015361967 [0,1,0,0,0,0|3,0,0]=4 4207 B13R1.9 Cc1ccc(cc1)OCCOCF 7a_100011219107_100015361967 [0,1,0,0,0,0|3,0,0]=4 4208 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100000183172_100015361967 [0,1,0,0,0,0|3,0,0]=4 4209 B13R1.9 Cc1ccc(cc1)OCCSCF 62a_100015361967_100000183172 [0,1,0,0,0,0|3,0,0]=4 4210 B13R1.9 Cc1ccc(cc1)SCC#CCO 62a_100000186775_200000047223 [0,1,0,0,0,0|1,0,2]=4 4211 B13R1.9 Cc1ccc(cc1)SCC#CCO 62a_200000047223_100000186775 [0,1,0,0,0,0|1,0,2]=4 4212 B13R1.9 Cc1ccc(cc1)SCCCC#N 62a_100000186775_100000687738 [0,1,0,0,0,0|2,0,1]=4 4213 B13R1.9 Cc1ccc(cc1)SCCCC#N 62a_100000687738_100000186775 [0,1,0,0,0,0|2,0,1]=4 4214 B13R1.9 Cc1ccc(cc1)SCCCC=O 62a_100000186775_200011292268 [0,1,0,0,0,0|1,0,2]=4 4215 B13R1.9 Cc1ccc(cc1)SCCCC=O 62a_200011292268_100000186775 [0,1,0,0,0,0|1,0,2]=4 4216 B13R1.9 Cc1ccc(cc1)SCCCCF 62a_100000186775_100000729493 [0,1,0,0,0,0|2,0,0]=3 4217 B13R1.9 Cc1ccc(cc1)SCCCCF 62a_100000729493_100000186775 [0,1,0,0,0,0|2,0,0]=3 4218 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000186775_100000210776 [0,1,0,0,0,0|1,0,0]=2 4219 B13R1.9 Cc1ccc(cc1)SCCCCO 62a_100000210776_100000186775 [0,1,0,0,0,0|1,0,0]=2 4220 B13R1.9 Cc1ccc(cc1)SCCOCF 34a_200000230582_100015361967 [0,1,0,0,0,0|3,0,0]=4 4221 B13R1.9 Cc1ccc(cc1)SCCOCF 7a_200000230582_100015361967 [0,1,0,0,0,0|3,0,0]=4 4222 B13R1.9 Cc1ccc(cn1)CCOCCF 34a_100011815783_100011217306 [0,1,0,0,0,0|3,0,0]=4 4223 B13R1.9 Cc1ccc(cn1)CCOCCO 34a_100011815783_100000211926 [0,1,0,0,0,0|2,0,0]=3 4224 B13R1.9 Cc1ccc(cn1)CNCCCF 2230a_100015189416_100016987292 [0,1,0,0,0,0|3,0,0]=4 4225 B13R1.9 Cc1ccc(cn1)CNCCCF 270004a_100015189416_100000743784 [0,1,0,0,0,0|3,0,0]=4 4226 B13R1.9 Cc1ccc(cn1)CNCCCF 34a_100000740942_100011934791 [0,1,0,0,0,0|3,0,0]=4 4227 B13R1.9 Cc1ccc(cn1)CNCCCF 34a_100015189416_100016987292 [0,1,0,0,0,0|3,0,0]=4 4228 B13R1.9 Cc1ccc(cn1)CNCCCO 270004a_100000182051_100000743784 [0,1,0,0,0,0|2,0,0]=3 4229 B13R1.9 Cc1ccc(cn1)CNCCCO 34a_100000740942_100000230001 [0,1,0,0,0,0|2,0,0]=3 4230 B13R1.9 Cc1ccc(cn1)COCCCBr 34a_100011217188_100016987292 [0,1,0,0,0,0|3,0,0]=4 4231 B13R1.9 Cc1ccc(cn1)COCCCCl 34a_100000230001_100016987292 [0,1,0,0,0,0|3,0,0]=4 4232 B13R1.9 Cc1ccc(cn1)COCCCF 34a_100000759539_100016987292 [0,1,0,0,0,0|3,0,0]=4 4233 B13R1.9 Cc1ccc(cn1)COCCCF 34a_100011248133_100011934791 [0,1,0,0,0,0|3,0,0]=4 4234 B13R1.9 Cc1ccc(cn1)COCCCN 34a_100000182051_100016987292 [0,1,0,0,0,0|3,0,0]=4 4235 B13R1.9 Cc1ccc(cn1)COCCCO 34a_100011248133_100000230001 [0,1,0,0,0,0|2,0,0]=3 4236 B13R1.9 Cc1ccc(cn1)CSCCCF 62a_100011934791_100016987292 [0,1,0,0,0,0|3,0,0]=4 4237 B13R1.9 Cc1ccc(cn1)CSCCCF 62a_100016987292_100011934791 [0,1,0,0,0,0|3,0,0]=4 4238 B13R1.9 Cc1ccc(cn1)CSCCCO 62a_100011215043_100016987292 [0,1,0,0,0,0|2,0,0]=3 4239 B13R1.9 Cc1ccc(cn1)CSCCCO 62a_100016987292_100011215043 [0,1,0,0,0,0|2,0,0]=3 4240 B13R1.9 Cc1ccc(cn1)OCCCCF 34a_100000745506_100000729493 [0,1,0,0,0,0|3,0,0]=4 4241 B13R1.9 Cc1ccc(cn1)OCCCCF 7a_100000745506_100000729493 [0,1,0,0,0,0|3,0,0]=4 4242 B13R1.9 Cc1ccc(cn1)OCCCCO 34a_100000745506_100011216708 [0,1,0,0,0,0|2,0,0]=3 4243 B13R1.9 Cc1ccc(cn1)OCCCCO 7a_100000745506_100000210776 [0,1,0,0,0,0|2,0,0]=3 4244 B13R1.9 Cc1ccc(cn1)SCCCCF 62a_100000729493_100000751577 [0,1,0,0,0,0|3,0,0]=4 4245 B13R1.9 Cc1ccc(cn1)SCCCCF 62a_100000751577_100000729493 [0,1,0,0,0,0|3,0,0]=4 4246 B13R1.9 Cc1ccc(cn1)SCCCCO 62a_100000210776_100000751577 [0,1,0,0,0,0|2,0,0]=3 4247 B13R1.9 Cc1ccc(cn1)SCCCCO 62a_100000751577_100000210776 [0,1,0,0,0,0|2,0,0]=3 4248 B13R1.9 Cc1ccc(nc1)CNCCCF 207a_100015189416_100000050478 [0,1,0,0,0,0|3,0,0]=4 4249 B13R1.9 Cc1ccc(nc1)CNCCCF 2230a_100015189416_100000691093 [0,1,0,0,0,0|3,0,0]=4 4250 B13R1.9 Cc1ccc(nc1)CNCCCF 270004a_100015189416_100000050478 [0,1,0,0,0,0|3,0,0]=4 4251 B13R1.9 Cc1ccc(nc1)CNCCCF 34a_100015187455_100011934791 [0,1,0,0,0,0|3,0,0]=4 4252 B13R1.9 Cc1ccc(nc1)CNCCCF 34a_100015189416_100000691093 [0,1,0,0,0,0|3,0,0]=4 4253 B13R1.9 Cc1ccc(nc1)CNCCCO 207a_100000182051_100000050478 [0,1,0,0,0,0|2,0,0]=3 4254 B13R1.9 Cc1ccc(nc1)CNCCCO 270004a_100000182051_100000050478 [0,1,0,0,0,0|2,0,0]=3 4255 B13R1.9 Cc1ccc(nc1)CNCCCO 34a_100015187455_100000230001 [0,1,0,0,0,0|2,0,0]=3 4256 B13R1.9 Cc1ccc(nc1)COCCCBr 34a_100011217188_100000691093 [0,1,0,0,0,0|3,0,0]=4 4257 B13R1.9 Cc1ccc(nc1)COCCCCl 34a_100000230001_100000691093 [0,1,0,0,0,0|3,0,0]=4 4258 B13R1.9 Cc1ccc(nc1)COCCCF 34a_100000759539_100000691093 [0,1,0,0,0,0|3,0,0]=4 4259 B13R1.9 Cc1ccc(nc1)COCCCF 34a_100012001401_100011934791 [0,1,0,0,0,0|3,0,0]=4 4260 B13R1.9 Cc1ccc(nc1)COCCCN 34a_100000182051_100000691093 [0,1,0,0,0,0|3,0,0]=4 4261 B13R1.9 Cc1ccc(nc1)COCCCO 34a_100012001401_100000230001 [0,1,0,0,0,0|2,0,0]=3 4262 B13R1.9 Cc1ccc(nc1)CSCCCF 62a_100000691093_100011934791 [0,1,0,0,0,0|3,0,0]=4 4263 B13R1.9 Cc1ccc(nc1)CSCCCF 62a_100011934791_100000691093 [0,1,0,0,0,0|3,0,0]=4 4264 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100000691093_100011215043 [0,1,0,0,0,0|2,0,0]=3 4265 B13R1.9 Cc1ccc(nc1)CSCCCO 62a_100011215043_100000691093 [0,1,0,0,0,0|2,0,0]=3 4266 B13R1.9 Cc1ccc(nc1)OCCCCF 34a_100000759353_100000729493 [0,1,0,0,0,0|3,0,0]=4 4267 B13R1.9 Cc1ccc(nc1)OCCCCO 34a_100000759353_100011216708 [0,1,0,0,0,0|2,0,0]=3 4268 B13R1.9 Cc1ccc(nc1)SCCCCF 62a_100000729493_100000754016 [0,1,0,0,0,0|3,0,0]=4 4269 B13R1.9 Cc1ccc(nc1)SCCCCF 62a_100011192072_100000729493 [0,1,0,0,0,0|3,0,0]=4 4270 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100000210776_100000754016 [0,1,0,0,0,0|2,0,0]=3 4271 B13R1.9 Cc1ccc(nc1)SCCCCO 62a_100011192072_100000210776 [0,1,0,0,0,0|2,0,0]=3 4272 B13R1.9 Cc1ccc(nn1)NCCCCO 27a_100000750430_100000744512 [0,1,0,0,0,0|3,0,0]=4 4273 B13R1.9 Cc1ccc(nn1)SCCCCO 62a_100000210776_100000744512 [0,1,0,0,0,0|3,0,0]=4 4274 B13R1.9 Cc1ccc(nn1)SCCCCO 62a_100000744512_100000210776 [0,1,0,0,0,0|3,0,0]=4 4275 B13R1.9 Cc1cnc(cn1)CNCCCO 270004a_100000182051_100000685221 [0,1,0,0,0,0|3,0,0]=4 4276 B13R1.9 Cc1cnc(cn1)CNCCCO 34a_100132314150_100000230001 [0,1,0,0,0,0|3,0,0]=4 4277 B13R1.9 Cc1cnc(cn1)COCCCO 34a_100011273949_100000230001 [0,1,0,0,0,0|3,0,0]=4 4278 B13R1.9 Cc1cnc(cn1)CSCCCO 62a_100000752025_100011215043 [0,1,0,0,0,0|3,0,0]=4 4279 B13R1.9 Cc1cnc(cn1)CSCCCO 62a_100011215043_100000752025 [0,1,0,0,0,0|3,0,0]=4 4280 B13R1.9 Cc1cnc(cn1)NCCCCO 27a_100000750430_100000074397 [0,1,0,0,0,0|3,0,0]=4 4281 B13R1.9 Cc1cnc(cn1)SCCCCO 62a_100000210776_100011999403 [0,1,0,0,0,0|3,0,0]=4 4282 B13R1.9 Cc1cnc(cn1)SCCCCO 62a_100011999403_100000210776 [0,1,0,0,0,0|3,0,0]=4 4283 B13R1.9 Cc1cnc(nc1)CSCCCO 62a_100000685645_100011215043 [0,1,0,0,0,0|3,0,0]=4 4284 B13R1.9 Cc1cnc(nc1)CSCCCO 62a_100011215043_100000685645 [0,1,0,0,0,0|3,0,0]=4 4285 B13R1.9 Cc1cnc(nc1)NCCCCO 27a_100000750430_100000061069 [0,1,0,0,0,0|3,0,0]=4 4286 B13R1.9 Cc1cnc(nc1)SCCCCO 62a_100000061069_100000210776 [0,1,0,0,0,0|3,0,0]=4 4287 B13R1.9 Cc1cnc(nc1)SCCCCO 62a_100000210776_100000061069 [0,1,0,0,0,0|3,0,0]=4 4288 B13R1.9 Cc1ncc(cn1)CNCCCO 270004a_100000182051_100011202771 [0,1,0,0,0,0|3,0,0]=4 4289 B13R1.9 Cc1ncc(cn1)COCCCO 34a_100011746891_100000230001 [0,1,0,0,0,0|3,0,0]=4 4290 B13R1.9 Cc1ncc(cn1)OCCCCO 34a_100000062939_100011216708 [0,1,0,0,0,0|3,0,0]=4 4291 B13R1.9 Cc1ncc(cn1)OCCCCO 7a_100000062939_100000210776 [0,1,0,0,0,0|3,0,0]=4 4292 B13R1.9 Cc1ncc(cn1)SCCCCO 62a_100000210776_100000686985 [0,1,0,0,0,0|3,0,0]=4 4293 B13R1.9 Cc1ncc(cn1)SCCCCO 62a_100000686985_100000210776 [0,1,0,0,0,0|3,0,0]=4 4294 B13R1.9 ClCCCOCc1ccc(cc1)Br 34a_100000230001_100000189115 [0,1,0,0,0,0|2,0,0]=3 4295 B13R1.9 ClCCCOCc1ccc(cc1)Cl 34a_100000230001_100000694040 [0,1,0,0,0,0|2,0,0]=3 4296 B13R1.9 ClCCCOCc1ccc(cc1)I 34a_100000230001_100000189116 [0,1,0,0,0,0|2,0,0]=3 4297 B13R1.9 ClCCCOCc1ccc(cn1)Br 34a_100000230001_100000702658 [0,1,0,0,0,0|3,0,0]=4 4298 B13R1.9 ClCCCOCc1ccc(cn1)Cl 34a_100000230001_100012066911 [0,1,0,0,0,0|3,0,0]=4 4299 B13R1.9 ClCCCOCc1ccc(nc1)Br 34a_100000230001_100009831999 [0,1,0,0,0,0|3,0,0]=4 4300 B13R1.9 ClCCCOCc1ccc(nc1)Cl 34a_100000230001_100000735431 [0,1,0,0,0,0|3,0,0]=4 4301 B13R1.9 Clc1ccc(cc1)CCOCCBr 34a_100000211926_100011713675 [0,1,0,0,0,0|2,0,0]=3 4302 B13R1.9 Clc1ccc(cc1)COCCCBr 34a_100011217188_100000694040 [0,1,0,0,0,0|2,0,0]=3 4303 B13R1.9 Clc1ccc(cn1)COCCCBr 34a_100011217188_100000735431 [0,1,0,0,0,0|3,0,0]=4 4304 B13R1.9 Clc1ccc(nc1)COCCCBr 34a_100011217188_100012066911 [0,1,0,0,0,0|3,0,0]=4 4305 B13R1.9 FCCCCNc1ccc(cc1)Br 2230a_100000210018_100000729493 [0,1,0,0,0,0|2,0,0]=3 4306 B13R1.9 FCCCCNc1ccc(cc1)Br 34a_100000210018_100000729493 [0,1,0,0,0,0|2,0,0]=3 4307 B13R1.9 FCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000729493 [0,1,0,0,0,0|2,0,0]=3 4308 B13R1.9 FCCCCNc1ccc(cc1)Cl 34a_100000210052_100000729493 [0,1,0,0,0,0|2,0,0]=3 4309 B13R1.9 FCCCCNc1ccc(cc1)F 34a_100000185862_100000729493 [0,1,0,0,0,0|2,0,0]=3 4310 B13R1.9 FCCCCNc1ccc(cc1)I 34a_100000185761_100000729493 [0,1,0,0,0,0|2,0,0]=3 4311 B13R1.9 FCCCCOc1ccc(cc1)Br 34a_100000185759_100000729493 [0,1,0,0,0,0|2,0,0]=3 4312 B13R1.9 FCCCCOc1ccc(cc1)Br 7a_100000185759_100000729493 [0,1,0,0,0,0|2,0,0]=3 4313 B13R1.9 FCCCCOc1ccc(cc1)Cl 34a_100000210216_100000729493 [0,1,0,0,0,0|2,0,0]=3 4314 B13R1.9 FCCCCOc1ccc(cc1)Cl 7a_100000210216_100000729493 [0,1,0,0,0,0|2,0,0]=3 4315 B13R1.9 FCCCCOc1ccc(cc1)F 34a_100000210339_100000729493 [0,1,0,0,0,0|2,0,0]=3 4316 B13R1.9 FCCCCOc1ccc(cc1)I 34a_100000212066_100000729493 [0,1,0,0,0,0|2,0,0]=3 4317 B13R1.9 FCCCCOc1ccc(cc1)I 7a_100000212066_100000729493 [0,1,0,0,0,0|2,0,0]=3 4318 B13R1.9 FCCCCOc1ccc(cn1)Cl 34a_100011215309_100000729493 [0,1,0,0,0,0|3,0,0]=4 4319 B13R1.9 FCCCCOc1ccc(cn1)F 34a_100000742473_100000729493 [0,1,0,0,0,0|3,0,0]=4 4320 B13R1.9 FCCCCOc1ccc(nc1)Br 34a_100000685995_100000729493 [0,1,0,0,0,0|3,0,0]=4 4321 B13R1.9 FCCCCOc1ccc(nc1)Br 7a_100000685995_100000729493 [0,1,0,0,0,0|3,0,0]=4 4322 B13R1.9 FCCCCOc1ccc(nc1)Cl 34a_100000744096_100000729493 [0,1,0,0,0,0|3,0,0]=4 4323 B13R1.9 FCCCCOc1ccc(nc1)Cl 7a_100000744096_100000729493 [0,1,0,0,0,0|3,0,0]=4 4324 B13R1.9 FCCCCOc1ccc(nc1)F 34a_100000688820_100000729493 [0,1,0,0,0,0|3,0,0]=4 4325 B13R1.9 FCCCCOc1ccc(nc1)F 7a_100000688820_100000729493 [0,1,0,0,0,0|3,0,0]=4 4326 B13R1.9 FCCCCOc1ccc(nc1)I 34a_100000687607_100000729493 [0,1,0,0,0,0|3,0,0]=4 4327 B13R1.9 FCCCCOc1ccc(nc1)I 7a_100000687607_100000729493 [0,1,0,0,0,0|3,0,0]=4 4328 B13R1.9 FCCCCSc1ccc(cc1)Br 62a_100000729493_100000752885 [0,1,0,0,0,0|2,0,0]=3 4329 B13R1.9 FCCCCSc1ccc(cc1)Br 62a_100000752885_100000729493 [0,1,0,0,0,0|2,0,0]=3 4330 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000729493_100000755918 [0,1,0,0,0,0|2,0,0]=3 4331 B13R1.9 FCCCCSc1ccc(cc1)Cl 62a_100000755918_100000729493 [0,1,0,0,0,0|2,0,0]=3 4332 B13R1.9 FCCCCSc1ccc(cc1)F 62a_100000211213_100000729493 [0,1,0,0,0,0|2,0,0]=3 4333 B13R1.9 FCCCCSc1ccc(cc1)F 62a_100000729493_100000211213 [0,1,0,0,0,0|2,0,0]=3 4334 B13R1.9 FCCCCSc1ccc(cn1)Br 62a_100000686858_100000729493 [0,1,0,0,0,0|3,0,0]=4 4335 B13R1.9 FCCCCSc1ccc(cn1)Br 62a_100000729493_100000686858 [0,1,0,0,0,0|3,0,0]=4 4336 B13R1.9 FCCCCSc1ccc(cn1)Cl 62a_100000729493_100011356976 [0,1,0,0,0,0|3,0,0]=4 4337 B13R1.9 FCCCCSc1ccc(cn1)Cl 62a_100011356976_100000729493 [0,1,0,0,0,0|3,0,0]=4 4338 B13R1.9 FCCCCSc1ccc(cn1)F 62a_100000729493_100000744514 [0,1,0,0,0,0|3,0,0]=4 4339 B13R1.9 FCCCCSc1ccc(cn1)F 62a_100000744514_100000729493 [0,1,0,0,0,0|3,0,0]=4 4340 B13R1.9 FCCCCSc1ccc(nc1)Br 62a_100000729493_100009814638 [0,1,0,0,0,0|3,0,0]=4 4341 B13R1.9 FCCCCSc1ccc(nc1)Br 62a_100009814638_100000729493 [0,1,0,0,0,0|3,0,0]=4 4342 B13R1.9 FCCCCSc1ccc(nc1)Cl 62a_100000034144_100000729493 [0,1,0,0,0,0|3,0,0]=4 4343 B13R1.9 FCCCCSc1ccc(nc1)Cl 62a_100000729493_100000034144 [0,1,0,0,0,0|3,0,0]=4 4344 B13R1.9 FCCCCSc1ccc(nc1)F 62a_100000042367_100000729493 [0,1,0,0,0,0|3,0,0]=4 4345 B13R1.9 FCCCCSc1ccc(nc1)F 62a_100000729493_100000042367 [0,1,0,0,0,0|3,0,0]=4 4346 B13R1.9 FCCCNCc1ccc(cc1)Br 207a_100015189416_100000186029 [0,1,0,0,0,0|2,0,0]=3 4347 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100000174875_100011934791 [0,1,0,0,0,0|2,0,0]=3 4348 B13R1.9 FCCCNCc1ccc(cc1)Br 2230a_100015189416_100011217064 [0,1,0,0,0,0|2,0,0]=3 4349 B13R1.9 FCCCNCc1ccc(cc1)Br 270004a_100015189416_100000186029 [0,1,0,0,0,0|2,0,0]=3 4350 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100000174875_100011934791 [0,1,0,0,0,0|2,0,0]=3 4351 B13R1.9 FCCCNCc1ccc(cc1)Br 34a_100015189416_100000189115 [0,1,0,0,0,0|2,0,0]=3 4352 B13R1.9 FCCCNCc1ccc(cc1)Cl 207a_100015189416_100000189385 [0,1,0,0,0,0|2,0,0]=3 4353 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011934791 [0,1,0,0,0,0|2,0,0]=3 4354 B13R1.9 FCCCNCc1ccc(cc1)Cl 2230a_100015189416_100000694040 [0,1,0,0,0,0|2,0,0]=3 4355 B13R1.9 FCCCNCc1ccc(cc1)Cl 270004a_100015189416_100000189385 [0,1,0,0,0,0|2,0,0]=3 4356 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100000174871_100011934791 [0,1,0,0,0,0|2,0,0]=3 4357 B13R1.9 FCCCNCc1ccc(cc1)Cl 34a_100015189416_100000694040 [0,1,0,0,0,0|2,0,0]=3 4358 B13R1.9 FCCCNCc1ccc(cc1)F 207a_100015189416_100000210084 [0,1,0,0,0,0|2,0,0]=3 4359 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100000174882_100011934791 [0,1,0,0,0,0|2,0,0]=3 4360 B13R1.9 FCCCNCc1ccc(cc1)F 2230a_100015189416_100000198546 [0,1,0,0,0,0|2,0,0]=3 4361 B13R1.9 FCCCNCc1ccc(cc1)F 270004a_100015189416_100000210084 [0,1,0,0,0,0|2,0,0]=3 4362 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100000174882_100011934791 [0,1,0,0,0,0|2,0,0]=3 4363 B13R1.9 FCCCNCc1ccc(cc1)F 34a_100015189416_100000198546 [0,1,0,0,0,0|2,0,0]=3 4364 B13R1.9 FCCCNCc1ccc(cc1)I 207a_100015189416_100000188517 [0,1,0,0,0,0|2,0,0]=3 4365 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100015189416_100000189116 [0,1,0,0,0,0|2,0,0]=3 4366 B13R1.9 FCCCNCc1ccc(cc1)I 2230a_100016989417_100011934791 [0,1,0,0,0,0|2,0,0]=3 4367 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100015189416_100000189116 [0,1,0,0,0,0|2,0,0]=3 4368 B13R1.9 FCCCNCc1ccc(cc1)I 34a_100016989417_100011934791 [0,1,0,0,0,0|2,0,0]=3 4369 B13R1.9 FCCCNCc1ccc(cn1)Br 207a_100015189416_100000754260 [0,1,0,0,0,0|3,0,0]=4 4370 B13R1.9 FCCCNCc1ccc(cn1)Br 2230a_100015189416_100000702658 [0,1,0,0,0,0|3,0,0]=4 4371 B13R1.9 FCCCNCc1ccc(cn1)Br 270004a_100015189416_100000754260 [0,1,0,0,0,0|3,0,0]=4 4372 B13R1.9 FCCCNCc1ccc(cn1)Br 34a_100015188789_100011934791 [0,1,0,0,0,0|3,0,0]=4 4373 B13R1.9 FCCCNCc1ccc(cn1)Br 34a_100015189416_100000702658 [0,1,0,0,0,0|3,0,0]=4 4374 B13R1.9 FCCCNCc1ccc(cn1)Cl 207a_100015189416_100011361569 [0,1,0,0,0,0|3,0,0]=4 4375 B13R1.9 FCCCNCc1ccc(cn1)Cl 2230a_100015189416_100012066911 [0,1,0,0,0,0|3,0,0]=4 4376 B13R1.9 FCCCNCc1ccc(cn1)Cl 270004a_100015189416_100011361569 [0,1,0,0,0,0|3,0,0]=4 4377 B13R1.9 FCCCNCc1ccc(cn1)Cl 34a_100000697193_100011934791 [0,1,0,0,0,0|3,0,0]=4 4378 B13R1.9 FCCCNCc1ccc(cn1)Cl 34a_100015189416_100012066911 [0,1,0,0,0,0|3,0,0]=4 4379 B13R1.9 FCCCNCc1ccc(cn1)F 207a_100015189416_100011934744 [0,1,0,0,0,0|3,0,0]=4 4380 B13R1.9 FCCCNCc1ccc(cn1)F 2230a_100015189416_100000703193 [0,1,0,0,0,0|3,0,0]=4 4381 B13R1.9 FCCCNCc1ccc(cn1)F 270004a_100015189416_100011934744 [0,1,0,0,0,0|3,0,0]=4 4382 B13R1.9 FCCCNCc1ccc(cn1)F 34a_100015189416_100000703193 [0,1,0,0,0,0|3,0,0]=4 4383 B13R1.9 FCCCNCc1ccc(cn1)F 34a_100020620131_100011934791 [0,1,0,0,0,0|3,0,0]=4 4384 B13R1.9 FCCCNCc1ccc(nc1)Br 2230a_100009817727_100011934791 [0,1,0,0,0,0|3,0,0]=4 4385 B13R1.9 FCCCNCc1ccc(nc1)Br 2230a_100015189416_100009831999 [0,1,0,0,0,0|3,0,0]=4 4386 B13R1.9 FCCCNCc1ccc(nc1)Br 34a_100009817727_100011934791 [0,1,0,0,0,0|3,0,0]=4 4387 B13R1.9 FCCCNCc1ccc(nc1)Br 34a_100015189416_100009831999 [0,1,0,0,0,0|3,0,0]=4 4388 B13R1.9 FCCCNCc1ccc(nc1)Cl 2230a_100000735879_100011934791 [0,1,0,0,0,0|3,0,0]=4 4389 B13R1.9 FCCCNCc1ccc(nc1)Cl 2230a_100015189416_100000735431 [0,1,0,0,0,0|3,0,0]=4 4390 B13R1.9 FCCCNCc1ccc(nc1)Cl 34a_100000735879_100011934791 [0,1,0,0,0,0|3,0,0]=4 4391 B13R1.9 FCCCNCc1ccc(nc1)Cl 34a_100015189416_100000735431 [0,1,0,0,0,0|3,0,0]=4 4392 B13R1.9 FCCCNCc1ccc(nc1)F 2230a_100000101913_100011934791 [0,1,0,0,0,0|3,0,0]=4 4393 B13R1.9 FCCCNCc1ccc(nc1)F 2230a_100015189416_100009820150 [0,1,0,0,0,0|3,0,0]=4 4394 B13R1.9 FCCCNCc1ccc(nc1)F 34a_100000101913_100011934791 [0,1,0,0,0,0|3,0,0]=4 4395 B13R1.9 FCCCNCc1ccc(nc1)F 34a_100015189416_100000099788 [0,1,0,0,0,0|3,0,0]=4 4396 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000695286_100011934791 [0,1,0,0,0,0|2,0,0]=3 4397 B13R1.9 FCCCOCc1ccc(cc1)Br 34a_100000759539_100000189115 [0,1,0,0,0,0|2,0,0]=3 4398 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000211118_100011934791 [0,1,0,0,0,0|2,0,0]=3 4399 B13R1.9 FCCCOCc1ccc(cc1)Cl 34a_100000759539_100000694040 [0,1,0,0,0,0|2,0,0]=3 4400 B13R1.9 FCCCOCc1ccc(cc1)Cl 7a_100000211118_100011934791 [0,1,0,0,0,0|2,0,0]=3 4401 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000210977_100011934791 [0,1,0,0,0,0|2,0,0]=3 4402 B13R1.9 FCCCOCc1ccc(cc1)F 34a_100000759539_100000198546 [0,1,0,0,0,0|2,0,0]=3 4403 B13R1.9 FCCCOCc1ccc(cc1)F 7a_100000210977_100011934791 [0,1,0,0,0,0|2,0,0]=3 4404 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000690907_100011934791 [0,1,0,0,0,0|2,0,0]=3 4405 B13R1.9 FCCCOCc1ccc(cc1)I 34a_100000759539_100000189116 [0,1,0,0,0,0|2,0,0]=3 4406 B13R1.9 FCCCOCc1ccc(cc1)I 7a_100000690907_100011934791 [0,1,0,0,0,0|2,0,0]=3 4407 B13R1.9 FCCCOCc1ccc(cn1)Br 34a_100000754261_100011934791 [0,1,0,0,0,0|3,0,0]=4 4408 B13R1.9 FCCCOCc1ccc(cn1)Br 34a_100000759539_100000702658 [0,1,0,0,0,0|3,0,0]=4 4409 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000703999_100011934791 [0,1,0,0,0,0|3,0,0]=4 4410 B13R1.9 FCCCOCc1ccc(cn1)Cl 34a_100000759539_100012066911 [0,1,0,0,0,0|3,0,0]=4 4411 B13R1.9 FCCCOCc1ccc(cn1)F 34a_100000759539_100000703193 [0,1,0,0,0,0|3,0,0]=4 4412 B13R1.9 FCCCOCc1ccc(cn1)F 34a_100011999454_100011934791 [0,1,0,0,0,0|3,0,0]=4 4413 B13R1.9 FCCCOCc1ccc(nc1)Br 34a_100000759539_100009831999 [0,1,0,0,0,0|3,0,0]=4 4414 B13R1.9 FCCCOCc1ccc(nc1)Br 34a_100009816760_100011934791 [0,1,0,0,0,0|3,0,0]=4 4415 B13R1.9 FCCCOCc1ccc(nc1)Br 7a_100009816760_100011934791 [0,1,0,0,0,0|3,0,0]=4 4416 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000755211_100011934791 [0,1,0,0,0,0|3,0,0]=4 4417 B13R1.9 FCCCOCc1ccc(nc1)Cl 34a_100000759539_100000735431 [0,1,0,0,0,0|3,0,0]=4 4418 B13R1.9 FCCCOCc1ccc(nc1)Cl 7a_100000755211_100011934791 [0,1,0,0,0,0|3,0,0]=4 4419 B13R1.9 FCCCOCc1ccc(nc1)F 34a_100000079959_100011934791 [0,1,0,0,0,0|3,0,0]=4 4420 B13R1.9 FCCCOCc1ccc(nc1)F 34a_100000759539_100000099788 [0,1,0,0,0,0|3,0,0]=4 4421 B13R1.9 FCCCSCc1ccc(cc1)Br 62a_100000189115_100011934791 [0,1,0,0,0,0|2,0,0]=3 4422 B13R1.9 FCCCSCc1ccc(cc1)Br 62a_100011934791_100000189115 [0,1,0,0,0,0|2,0,0]=3 4423 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100000187161_100011934791 [0,1,0,0,0,0|2,0,0]=3 4424 B13R1.9 FCCCSCc1ccc(cc1)Cl 62a_100011934791_100000187161 [0,1,0,0,0,0|2,0,0]=3 4425 B13R1.9 FCCCSCc1ccc(cc1)F 62a_100000198546_100011934791 [0,1,0,0,0,0|2,0,0]=3 4426 B13R1.9 FCCCSCc1ccc(cc1)F 62a_100011934791_100000187164 [0,1,0,0,0,0|2,0,0]=3 4427 B13R1.9 FCCCSCc1ccc(cc1)I 62a_100000189116_100011934791 [0,1,0,0,0,0|2,0,0]=3 4428 B13R1.9 FCCCSCc1ccc(cc1)I 62a_100011934791_100000189116 [0,1,0,0,0,0|2,0,0]=3 4429 B13R1.9 FCCCSCc1ccc(cn1)Br 62a_100000702658_100011934791 [0,1,0,0,0,0|3,0,0]=4 4430 B13R1.9 FCCCSCc1ccc(cn1)Br 62a_100011934791_100000702658 [0,1,0,0,0,0|3,0,0]=4 4431 B13R1.9 FCCCSCc1ccc(cn1)Cl 62a_100011934791_100000697101 [0,1,0,0,0,0|3,0,0]=4 4432 B13R1.9 FCCCSCc1ccc(cn1)Cl 62a_100012066911_100011934791 [0,1,0,0,0,0|3,0,0]=4 4433 B13R1.9 FCCCSCc1ccc(cn1)F 62a_100000703193_100011934791 [0,1,0,0,0,0|3,0,0]=4 4434 B13R1.9 FCCCSCc1ccc(cn1)F 62a_100011934791_100000703193 [0,1,0,0,0,0|3,0,0]=4 4435 B13R1.9 FCCCSCc1ccc(nc1)Br 62a_100009831999_100011934791 [0,1,0,0,0,0|3,0,0]=4 4436 B13R1.9 FCCCSCc1ccc(nc1)Br 62a_100011934791_100009831999 [0,1,0,0,0,0|3,0,0]=4 4437 B13R1.9 FCCCSCc1ccc(nc1)Cl 62a_100000735431_100011934791 [0,1,0,0,0,0|3,0,0]=4 4438 B13R1.9 FCCCSCc1ccc(nc1)Cl 62a_100011934791_100000735431 [0,1,0,0,0,0|3,0,0]=4 4439 B13R1.9 FCCCSCc1ccc(nc1)F 62a_100009820150_100011934791 [0,1,0,0,0,0|3,0,0]=4 4440 B13R1.9 FCCCSCc1ccc(nc1)F 62a_100011934791_100000099788 [0,1,0,0,0,0|3,0,0]=4 4441 B13R1.9 FCCNCCc1ccc(cc1)Br 2230a_100000755846_100011217306 [0,1,0,0,0,0|2,0,0]=3 4442 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000724931_100011740612 [0,1,0,0,0,0|2,0,0]=3 4443 B13R1.9 FCCNCCc1ccc(cc1)Br 34a_100000755846_100011217306 [0,1,0,0,0,0|2,0,0]=3 4444 B13R1.9 FCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011217306 [0,1,0,0,0,0|2,0,0]=3 4445 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000185265_100011217306 [0,1,0,0,0,0|2,0,0]=3 4446 B13R1.9 FCCNCCc1ccc(cc1)Cl 34a_100000724931_100011713675 [0,1,0,0,0,0|2,0,0]=3 4447 B13R1.9 FCCNCCc1ccc(cc1)F 2230a_100000199005_100011217306 [0,1,0,0,0,0|2,0,0]=3 4448 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000199005_100011217306 [0,1,0,0,0,0|2,0,0]=3 4449 B13R1.9 FCCNCCc1ccc(cc1)F 34a_100000724931_100011217392 [0,1,0,0,0,0|2,0,0]=3 4450 B13R1.9 FCCOCCc1ccc(cc1)Br 34a_100000766406_100011217306 [0,1,0,0,0,0|2,0,0]=3 4451 B13R1.9 FCCOCCc1ccc(cc1)Br 7a_100000766406_100011217306 [0,1,0,0,0,0|2,0,0]=3 4452 B13R1.9 FCCOCCc1ccc(cc1)Cl 34a_100011219627_100011217306 [0,1,0,0,0,0|2,0,0]=3 4453 B13R1.9 FCCOCCc1ccc(cc1)Cl 7a_100011219627_100011217306 [0,1,0,0,0,0|2,0,0]=3 4454 B13R1.9 FCCOCCc1ccc(cc1)F 34a_100000754732_100011217306 [0,1,0,0,0,0|2,0,0]=3 4455 B13R1.9 FCCOCCc1ccc(cc1)F 7a_100000754732_100011217306 [0,1,0,0,0,0|2,0,0]=3 4456 B13R1.9 FCCOCCc1ccc(cc1)I 34a_100012291149_100011217306 [0,1,0,0,0,0|2,0,0]=3 4457 B13R1.9 FCCOCCc1ccc(cc1)I 7a_100012291149_100011217306 [0,1,0,0,0,0|2,0,0]=3 4458 B13R1.9 FCCOCCc1ccc(cn1)Br 34a_100012357577_100011217306 [0,1,0,0,0,0|3,0,0]=4 4459 B13R1.9 FCCOCCc1ccc(nc1)Cl 34a_100009880866_100011217306 [0,1,0,0,0,0|3,0,0]=4 4460 B13R1.9 FCCOCCc1ccc(nc1)Cl 7a_100009880866_100011217306 [0,1,0,0,0,0|3,0,0]=4 4461 B13R1.9 FCCSCCc1ccc(cc1)Br 62a_100011217306_100011740612 [0,1,0,0,0,0|2,0,0]=3 4462 B13R1.9 FCCSCCc1ccc(cc1)Br 62a_100011740612_100011217306 [0,1,0,0,0,0|2,0,0]=3 4463 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011217306_100011713675 [0,1,0,0,0,0|2,0,0]=3 4464 B13R1.9 FCCSCCc1ccc(cc1)Cl 62a_100011713675_100011217306 [0,1,0,0,0,0|2,0,0]=3 4465 B13R1.9 FCCSCCc1ccc(cc1)F 62a_100011217306_100011217392 [0,1,0,0,0,0|2,0,0]=3 4466 B13R1.9 FCCSCCc1ccc(cc1)F 62a_100011217392_100011217306 [0,1,0,0,0,0|2,0,0]=3 4467 B13R1.9 FCNCCCc1ccc(cc1)Br 34a_100011297623_100015361967 [0,1,0,0,0,0|2,0,0]=3 4468 B13R1.9 FCNCCCc1ccc(cc1)Cl 34a_100000748451_100015361967 [0,1,0,0,0,0|2,0,0]=3 4469 B13R1.9 FCNCCCc1ccc(cc1)F 34a_100025745824_100015361967 [0,1,0,0,0,0|2,0,0]=3 4470 B13R1.9 FCNCCOc1ccc(cc1)Br 34a_100000746992_100015361967 [0,1,0,0,0,0|3,0,0]=4 4471 B13R1.9 FCNCCOc1ccc(cc1)Cl 34a_100000697975_100015361967 [0,1,0,0,0,0|3,0,0]=4 4472 B13R1.9 FCNCCOc1ccc(cc1)F 34a_100000737420_100015361967 [0,1,0,0,0,0|3,0,0]=4 4473 B13R1.9 FCOCCCc1ccc(cc1)Br 34a_100011709247_100015361967 [0,1,0,0,0,0|2,0,0]=3 4474 B13R1.9 FCOCCCc1ccc(cc1)Br 7a_100011709247_100015361967 [0,1,0,0,0,0|2,0,0]=3 4475 B13R1.9 FCOCCCc1ccc(cc1)Cl 34a_100011217485_100015361967 [0,1,0,0,0,0|2,0,0]=3 4476 B13R1.9 FCOCCCc1ccc(cc1)Cl 7a_100011217485_100015361967 [0,1,0,0,0,0|2,0,0]=3 4477 B13R1.9 FCOCCCc1ccc(cc1)F 34a_100000757351_100015361967 [0,1,0,0,0,0|2,0,0]=3 4478 B13R1.9 FCOCCCc1ccc(cc1)F 7a_100000757351_100015361967 [0,1,0,0,0,0|2,0,0]=3 4479 B13R1.9 FCOCCOc1ccc(cc1)Br 34a_100000686261_100015361967 [0,1,0,0,0,0|3,0,0]=4 4480 B13R1.9 FCOCCOc1ccc(cc1)Br 7a_100000686261_100015361967 [0,1,0,0,0,0|3,0,0]=4 4481 B13R1.9 FCOCCOc1ccc(cc1)Cl 34a_100000237962_100015361967 [0,1,0,0,0,0|3,0,0]=4 4482 B13R1.9 FCOCCOc1ccc(cc1)Cl 7a_100000237962_100015361967 [0,1,0,0,0,0|3,0,0]=4 4483 B13R1.9 FCOCCSc1ccc(cc1)Cl 34a_100000230527_100015361967 [0,1,0,0,0,0|3,0,0]=4 4484 B13R1.9 FCOCCSc1ccc(cc1)Cl 7a_100000230527_100015361967 [0,1,0,0,0,0|3,0,0]=4 4485 B13R1.9 FCOCCSc1ccc(cc1)F 34a_200000230679_100015361967 [0,1,0,0,0,0|3,0,0]=4 4486 B13R1.9 FCOCCSc1ccc(cc1)F 7a_200000230679_100015361967 [0,1,0,0,0,0|3,0,0]=4 4487 B13R1.9 FCSCCCc1ccc(cc1)Br 62a_100011713682_100015361967 [0,1,0,0,0,0|2,0,0]=3 4488 B13R1.9 FCSCCCc1ccc(cc1)Br 62a_100015361967_100011713682 [0,1,0,0,0,0|2,0,0]=3 4489 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100000759440_100015361967 [0,1,0,0,0,0|2,0,0]=3 4490 B13R1.9 FCSCCCc1ccc(cc1)Cl 62a_100015361967_100000759440 [0,1,0,0,0,0|2,0,0]=3 4491 B13R1.9 FCSCCCc1ccc(cc1)F 62a_100015361967_200011713563 [0,1,0,0,0,0|2,0,0]=3 4492 B13R1.9 FCSCCCc1ccc(cc1)F 62a_200011713563_100015361967 [0,1,0,0,0,0|2,0,0]=3 4493 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100000183278_100015361967 [0,1,0,0,0,0|3,0,0]=4 4494 B13R1.9 FCSCCOc1ccc(cc1)Br 62a_100015361967_100000183278 [0,1,0,0,0,0|3,0,0]=4 4495 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100000184122_100015361967 [0,1,0,0,0,0|3,0,0]=4 4496 B13R1.9 FCSCCOc1ccc(cc1)Cl 62a_100015361967_100000184122 [0,1,0,0,0,0|3,0,0]=4 4497 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100000184936_100015361967 [0,1,0,0,0,0|3,0,0]=4 4498 B13R1.9 FCSCCOc1ccc(cc1)F 62a_100015361967_100000184936 [0,1,0,0,0,0|3,0,0]=4 4499 B13R1.9 Fc1ccc(cc1)CCOCCBr 34a_100000211926_100011217392 [0,1,0,0,0,0|2,0,0]=3 4500 B13R1.9 Fc1ccc(cc1)COCCCBr 34a_100011217188_100000198546 [0,1,0,0,0,0|2,0,0]=3 4501 B13R1.9 Fc1ccc(cc1)COCCCCl 34a_100000230001_100000198546 [0,1,0,0,0,0|2,0,0]=3 4502 B13R1.9 Fc1ccc(cn1)COCCCBr 34a_100011217188_100000099788 [0,1,0,0,0,0|3,0,0]=4 4503 B13R1.9 Fc1ccc(cn1)COCCCCl 34a_100000230001_100000099788 [0,1,0,0,0,0|3,0,0]=4 4504 B13R1.9 Fc1ccc(nc1)COCCCBr 34a_100011217188_100000703193 [0,1,0,0,0,0|3,0,0]=4 4505 B13R1.9 Fc1ccc(nc1)COCCCCl 34a_100000230001_100000703193 [0,1,0,0,0,0|3,0,0]=4 4506 B13R1.9 N#CCCCNc1ccc(cc1)Br 2230a_100000210018_100000687738 [0,1,0,0,0,0|2,0,1]=4 4507 B13R1.9 N#CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000687738 [0,1,0,0,0,0|2,0,1]=4 4508 B13R1.9 N#CCCCOc1ccc(cc1)Br 7a_100000185759_100000687738 [0,1,0,0,0,0|2,0,1]=4 4509 B13R1.9 N#CCCCOc1ccc(cc1)Cl 7a_100000210216_100000687738 [0,1,0,0,0,0|2,0,1]=4 4510 B13R1.9 N#CCCCOc1ccc(cc1)I 7a_100000212066_100000687738 [0,1,0,0,0,0|2,0,1]=4 4511 B13R1.9 N#CCCCSc1ccc(cc1)Br 62a_100000687738_100000752885 [0,1,0,0,0,0|2,0,1]=4 4512 B13R1.9 N#CCCCSc1ccc(cc1)Br 62a_100000752885_100000687738 [0,1,0,0,0,0|2,0,1]=4 4513 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000687738_100000755918 [0,1,0,0,0,0|2,0,1]=4 4514 B13R1.9 N#CCCCSc1ccc(cc1)Cl 62a_100000755918_100000687738 [0,1,0,0,0,0|2,0,1]=4 4515 B13R1.9 N#CCCCSc1ccc(cc1)F 62a_100000211213_100000687738 [0,1,0,0,0,0|2,0,1]=4 4516 B13R1.9 N#CCCCSc1ccc(cc1)F 62a_100000687738_100000211213 [0,1,0,0,0,0|2,0,1]=4 4517 B13R1.9 N#CCCCSc1ccc(cc1)N 62a_100000185761_100000687738 [0,1,0,0,0,0|2,0,1]=4 4518 B13R1.9 N#CCCCSc1ccc(cc1)N 62a_100000687738_100000185761 [0,1,0,0,0,0|2,0,1]=4 4519 B13R1.9 N#CCCCSc1ccc(cc1)O 62a_100000687738_100000185759 [0,1,0,0,0,0|2,0,1]=4 4520 B13R1.9 N#CCCNCc1ccc(cc1)Br 2230a_100000174875_100011215226 [0,1,0,0,0,0|2,0,1]=4 4521 B13R1.9 N#CCCNCc1ccc(cc1)Br 270004a_100000720768_100000186029 [0,1,0,0,0,0|2,0,1]=4 4522 B13R1.9 N#CCCNCc1ccc(cc1)Cl 2230a_100000174871_100011215226 [0,1,0,0,0,0|2,0,1]=4 4523 B13R1.9 N#CCCNCc1ccc(cc1)Cl 270004a_100000720768_100000189385 [0,1,0,0,0,0|2,0,1]=4 4524 B13R1.9 N#CCCNCc1ccc(cc1)F 2230a_100000174882_100011215226 [0,1,0,0,0,0|2,0,1]=4 4525 B13R1.9 N#CCCNCc1ccc(cc1)F 270004a_100000720768_100000210084 [0,1,0,0,0,0|2,0,1]=4 4526 B13R1.9 N#CCCNCc1ccc(cc1)I 2230a_100016989417_100011215226 [0,1,0,0,0,0|2,0,1]=4 4527 B13R1.9 N#CCCOCc1ccc(cc1)Cl 7a_100000211118_100000184422 [0,1,0,0,0,0|2,0,1]=4 4528 B13R1.9 N#CCCOCc1ccc(cc1)F 7a_100000210977_100000184422 [0,1,0,0,0,0|2,0,1]=4 4529 B13R1.9 N#CCCOCc1ccc(cc1)I 7a_100000690907_100000184422 [0,1,0,0,0,0|2,0,1]=4 4530 B13R1.9 N#CCCSCc1ccc(cc1)Br 62a_100000189115_100011215226 [0,1,0,0,0,0|2,0,1]=4 4531 B13R1.9 N#CCCSCc1ccc(cc1)Br 62a_100011215226_100000189115 [0,1,0,0,0,0|2,0,1]=4 4532 B13R1.9 N#CCCSCc1ccc(cc1)Cl 62a_100000187161_100011215226 [0,1,0,0,0,0|2,0,1]=4 4533 B13R1.9 N#CCCSCc1ccc(cc1)Cl 62a_100011215226_100000187161 [0,1,0,0,0,0|2,0,1]=4 4534 B13R1.9 N#CCCSCc1ccc(cc1)F 62a_100000198546_100011215226 [0,1,0,0,0,0|2,0,1]=4 4535 B13R1.9 N#CCCSCc1ccc(cc1)F 62a_100011215226_100000187164 [0,1,0,0,0,0|2,0,1]=4 4536 B13R1.9 N#CCCSCc1ccc(cc1)I 62a_100000189116_100011215226 [0,1,0,0,0,0|2,0,1]=4 4537 B13R1.9 N#CCCSCc1ccc(cc1)I 62a_100011215226_100000189116 [0,1,0,0,0,0|2,0,1]=4 4538 B13R1.9 N#CCNCCc1ccc(cc1)Br 2230a_100000755846_100011215382 [0,1,0,0,0,0|2,0,1]=4 4539 B13R1.9 N#CCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215382 [0,1,0,0,0,0|2,0,1]=4 4540 B13R1.9 N#CCNCCc1ccc(cc1)F 2230a_100000199005_100011215382 [0,1,0,0,0,0|2,0,1]=4 4541 B13R1.9 N#CCOCCc1ccc(cc1)Br 7a_100000766406_100011215382 [0,1,0,0,0,0|2,0,1]=4 4542 B13R1.9 N#CCOCCc1ccc(cc1)Cl 7a_100011219627_100011215382 [0,1,0,0,0,0|2,0,1]=4 4543 B13R1.9 N#CCOCCc1ccc(cc1)F 7a_100000754732_100011215382 [0,1,0,0,0,0|2,0,1]=4 4544 B13R1.9 N#CCOCCc1ccc(cc1)I 7a_100012291149_100011215382 [0,1,0,0,0,0|2,0,1]=4 4545 B13R1.9 N#CCSCCc1ccc(cc1)Br 62a_100011215382_100011740612 [0,1,0,0,0,0|2,0,1]=4 4546 B13R1.9 N#CCSCCc1ccc(cc1)Br 62a_100011740612_100011215382 [0,1,0,0,0,0|2,0,1]=4 4547 B13R1.9 N#CCSCCc1ccc(cc1)Cl 62a_100011215382_100011713675 [0,1,0,0,0,0|2,0,1]=4 4548 B13R1.9 N#CCSCCc1ccc(cc1)Cl 62a_100011713675_100011215382 [0,1,0,0,0,0|2,0,1]=4 4549 B13R1.9 N#CCSCCc1ccc(cc1)F 62a_100011215382_100011217392 [0,1,0,0,0,0|2,0,1]=4 4550 B13R1.9 N#CCSCCc1ccc(cc1)F 62a_100011217392_100011215382 [0,1,0,0,0,0|2,0,1]=4 4551 B13R1.9 N#CCSCCc1ccc(cc1)O 62a_100009816426_100011215382 [0,1,0,0,0,0|2,0,1]=4 4552 B13R1.9 N#CCSCCc1ccc(cc1)O 62a_100011215382_100009816426 [0,1,0,0,0,0|2,0,1]=4 4553 B13R1.9 NCCCOCc1ccc(cc1)Br 34a_100000182051_100000189115 [0,1,0,0,0,0|2,0,0]=3 4554 B13R1.9 NCCCOCc1ccc(cc1)Cl 34a_100000182051_100000694040 [0,1,0,0,0,0|2,0,0]=3 4555 B13R1.9 NCCCOCc1ccc(cc1)F 34a_100000182051_100000198546 [0,1,0,0,0,0|2,0,0]=3 4556 B13R1.9 NCCCOCc1ccc(cc1)I 34a_100000182051_100000189116 [0,1,0,0,0,0|2,0,0]=3 4557 B13R1.9 NCCCOCc1ccc(cn1)Br 34a_100000182051_100000702658 [0,1,0,0,0,0|3,0,0]=4 4558 B13R1.9 NCCCOCc1ccc(cn1)Cl 34a_100000182051_100012066911 [0,1,0,0,0,0|3,0,0]=4 4559 B13R1.9 NCCCOCc1ccc(cn1)F 34a_100000182051_100000703193 [0,1,0,0,0,0|3,0,0]=4 4560 B13R1.9 NCCCOCc1ccc(nc1)Br 34a_100000182051_100009831999 [0,1,0,0,0,0|3,0,0]=4 4561 B13R1.9 NCCCOCc1ccc(nc1)Cl 34a_100000182051_100000735431 [0,1,0,0,0,0|3,0,0]=4 4562 B13R1.9 NCCCOCc1ccc(nc1)F 34a_100000182051_100000099788 [0,1,0,0,0,0|3,0,0]=4 4563 B13R1.9 NCCOCCc1ccc(cc1)Br 34a_100000210304_100011740612 [0,1,0,0,0,0|2,0,0]=3 4564 B13R1.9 NCCOCCc1ccc(cc1)Cl 34a_100000210304_100011713675 [0,1,0,0,0,0|2,0,0]=3 4565 B13R1.9 NCCOCCc1ccc(cc1)F 34a_100000210304_100011217392 [0,1,0,0,0,0|2,0,0]=3 4566 B13R1.9 NOCCOCc1ccc(cc1)Br 34a_100000700252_100000189115 [0,1,0,0,0,0|3,0,0]=4 4567 B13R1.9 NOCCOCc1ccc(cc1)Cl 34a_100000700252_100000694040 [0,1,0,0,0,0|3,0,0]=4 4568 B13R1.9 NOCCOCc1ccc(cc1)F 34a_100000700252_100000198546 [0,1,0,0,0,0|3,0,0]=4 4569 B13R1.9 NOCCOCc1ccc(cc1)I 34a_100000700252_100000189116 [0,1,0,0,0,0|3,0,0]=4 4570 B13R1.9 Nc1ccc(cc1)CCOCC=O 34a_100011204434_200009817547 [0,1,0,0,0,0|1,0,2]=4 4571 B13R1.9 Nc1ccc(cc1)CCOCCF 34a_100011204434_100011217306 [0,1,0,0,0,0|2,0,0]=3 4572 B13R1.9 Nc1ccc(cc1)CCOCCO 34a_100011204434_100000211926 [0,1,0,0,0,0|1,0,0]=2 4573 B13R1.9 Nc1ccc(cc1)COCCCF 34a_100011215238_100011934791 [0,1,0,0,0,0|2,0,0]=3 4574 B13R1.9 Nc1ccc(cc1)COCCCO 34a_100011215238_100000230001 [0,1,0,0,0,0|1,0,0]=2 4575 B13R1.9 Nc1ccc(cc1)OCC#CCO 34a_100000185829_200000047223 [0,1,0,0,0,0|1,0,2]=4 4576 B13R1.9 Nc1ccc(cc1)OCCCCF 34a_100000185829_100000729493 [0,1,0,0,0,0|2,0,0]=3 4577 B13R1.9 Nc1ccc(cc1)OCCCCO 34a_100000185829_100011216708 [0,1,0,0,0,0|1,0,0]=2 4578 B13R1.9 Nc1ccc(cc1)OCCOCF 34a_100000754363_100015361967 [0,1,0,0,0,0|3,0,0]=4 4579 B13R1.9 Nc1ccc(cc1)SCC#CCO 62a_100000185761_200000047223 [0,1,0,0,0,0|1,0,2]=4 4580 B13R1.9 Nc1ccc(cc1)SCC#CCO 62a_200000047223_100000185761 [0,1,0,0,0,0|1,0,2]=4 4581 B13R1.9 Nc1ccc(cc1)SCCCC=O 62a_100000185761_200011292268 [0,1,0,0,0,0|1,0,2]=4 4582 B13R1.9 Nc1ccc(cc1)SCCCC=O 62a_200011292268_100000185761 [0,1,0,0,0,0|1,0,2]=4 4583 B13R1.9 Nc1ccc(cc1)SCCCCF 62a_100000185761_100000729493 [0,1,0,0,0,0|2,0,0]=3 4584 B13R1.9 Nc1ccc(cc1)SCCCCF 62a_100000729493_100000185761 [0,1,0,0,0,0|2,0,0]=3 4585 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000185761_100000210776 [0,1,0,0,0,0|1,0,0]=2 4586 B13R1.9 Nc1ccc(cc1)SCCCCO 62a_100000210776_100000185761 [0,1,0,0,0,0|1,0,0]=2 4587 B13R1.9 Nc1ccc(cn1)COCCCF 34a_100000704267_100011934791 [0,1,0,0,0,0|3,0,0]=4 4588 B13R1.9 Nc1ccc(cn1)COCCCO 34a_100000704267_100000230001 [0,1,0,0,0,0|2,0,0]=3 4589 B13R1.9 Nc1ccc(cn1)OCCCCF 34a_100015188713_100000729493 [0,1,0,0,0,0|3,0,0]=4 4590 B13R1.9 Nc1ccc(cn1)OCCCCF 7a_100015188713_100000729493 [0,1,0,0,0,0|3,0,0]=4 4591 B13R1.9 Nc1ccc(cn1)OCCCCO 34a_100015188713_100011216708 [0,1,0,0,0,0|2,0,0]=3 4592 B13R1.9 Nc1ccc(cn1)OCCCCO 7a_100015188713_100000210776 [0,1,0,0,0,0|2,0,0]=3 4593 B13R1.9 Nc1ccc(cn1)SCCCCF 62a_100000187370_100000729493 [0,1,0,0,0,0|3,0,0]=4 4594 B13R1.9 Nc1ccc(cn1)SCCCCF 62a_100000729493_100000187370 [0,1,0,0,0,0|3,0,0]=4 4595 B13R1.9 Nc1ccc(cn1)SCCCCO 62a_100000187370_100000210776 [0,1,0,0,0,0|2,0,0]=3 4596 B13R1.9 Nc1ccc(cn1)SCCCCO 62a_100000210776_100000187370 [0,1,0,0,0,0|2,0,0]=3 4597 B13R1.9 Nc1ccc(nc1)COCCCF 34a_100011998161_100011934791 [0,1,0,0,0,0|3,0,0]=4 4598 B13R1.9 Nc1ccc(nc1)COCCCO 34a_100011998161_100000230001 [0,1,0,0,0,0|2,0,0]=3 4599 B13R1.9 Nc1ccc(nc1)OCCCCF 34a_100000729260_100000729493 [0,1,0,0,0,0|3,0,0]=4 4600 B13R1.9 Nc1ccc(nc1)OCCCCO 34a_100000729260_100011216708 [0,1,0,0,0,0|2,0,0]=3 4601 B13R1.9 Nc1ccc(nc1)SCCCCF 62a_100000729493_100000737798 [0,1,0,0,0,0|3,0,0]=4 4602 B13R1.9 Nc1ccc(nc1)SCCCCF 62a_100000737798_100000729493 [0,1,0,0,0,0|3,0,0]=4 4603 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000210776_100000737798 [0,1,0,0,0,0|2,0,0]=3 4604 B13R1.9 Nc1ccc(nc1)SCCCCO 62a_100000737798_100000210776 [0,1,0,0,0,0|2,0,0]=3 4605 B13R1.9 Nc1ccc(nn1)SCCCCO 62a_100000210776_100010219413 [0,1,0,0,0,0|3,0,0]=4 4606 B13R1.9 Nc1ccc(nn1)SCCCCO 62a_100010219413_100000210776 [0,1,0,0,0,0|3,0,0]=4 4607 B13R1.9 Nc1cnc(cn1)SCCCCO 62a_100000210776_100000744751 [0,1,0,0,0,0|3,0,0]=4 4608 B13R1.9 Nc1cnc(cn1)SCCCCO 62a_100000744751_100000210776 [0,1,0,0,0,0|3,0,0]=4 4609 B13R1.9 Nc1cnc(nc1)SCCCCO 62a_100000068403_100000210776 [0,1,0,0,0,0|3,0,0]=4 4610 B13R1.9 Nc1cnc(nc1)SCCCCO 62a_100000210776_100000068403 [0,1,0,0,0,0|3,0,0]=4 4611 B13R1.9 Nc1ncc(cn1)OCCCCO 34a_100000087137_100011216708 [0,1,0,0,0,0|3,0,0]=4 4612 B13R1.9 Nc1ncc(cn1)OCCCCO 7a_100000087137_100000210776 [0,1,0,0,0,0|3,0,0]=4 4613 B13R1.9 Nc1ncc(cn1)SCCCCO 62a_100000210776_100000766020 [0,1,0,0,0,0|3,0,0]=4 4614 B13R1.9 Nc1ncc(cn1)SCCCCO 62a_100000766020_100000210776 [0,1,0,0,0,0|3,0,0]=4 4615 B13R1.9 O=CCCCNc1ccc(cc1)Br 2230a_100000210018_200011292268 [0,1,0,0,0,0|1,0,2]=4 4616 B13R1.9 O=CCCCNc1ccc(cc1)Cl 2230a_100000210052_200011292268 [0,1,0,0,0,0|1,0,2]=4 4617 B13R1.9 O=CCCCOc1ccc(cc1)Br 7a_100000185759_200011292268 [0,1,0,0,0,0|1,0,2]=4 4618 B13R1.9 O=CCCCOc1ccc(cc1)Cl 7a_100000210216_200011292268 [0,1,0,0,0,0|1,0,2]=4 4619 B13R1.9 O=CCCCOc1ccc(cc1)I 7a_100000212066_200011292268 [0,1,0,0,0,0|1,0,2]=4 4620 B13R1.9 O=CCCCSc1ccc(cc1)Br 62a_100000752885_200011292268 [0,1,0,0,0,0|1,0,2]=4 4621 B13R1.9 O=CCCCSc1ccc(cc1)Br 62a_200011292268_100000752885 [0,1,0,0,0,0|1,0,2]=4 4622 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_100000755918_200011292268 [0,1,0,0,0,0|1,0,2]=4 4623 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_200011292268_100000755918 [0,1,0,0,0,0|1,0,2]=4 4624 B13R1.9 O=CCCCSc1ccc(cc1)F 62a_100000211213_200011292268 [0,1,0,0,0,0|1,0,2]=4 4625 B13R1.9 O=CCCCSc1ccc(cc1)F 62a_200011292268_100000211213 [0,1,0,0,0,0|1,0,2]=4 4626 B13R1.9 O=CCCCSc1ccc(cc1)O 62a_200011292268_100000185759 [0,1,0,0,0,0|1,0,2]=4 4627 B13R1.9 O=CCNCCc1ccc(cc1)Br 2230a_100000755846_200015260668 [0,1,0,0,0,0|1,0,2]=4 4628 B13R1.9 O=CCNCCc1ccc(cc1)Br 34a_100000755846_200009817547 [0,1,0,0,0,0|1,0,2]=4 4629 B13R1.9 O=CCNCCc1ccc(cc1)Cl 2230a_100000185265_200015260668 [0,1,0,0,0,0|1,0,2]=4 4630 B13R1.9 O=CCNCCc1ccc(cc1)Cl 34a_100000185265_200009817547 [0,1,0,0,0,0|1,0,2]=4 4631 B13R1.9 O=CCNCCc1ccc(cc1)F 2230a_100000199005_200015260668 [0,1,0,0,0,0|1,0,2]=4 4632 B13R1.9 O=CCNCCc1ccc(cc1)F 34a_100000199005_200009817547 [0,1,0,0,0,0|1,0,2]=4 4633 B13R1.9 O=CCNCCc1ccc(cc1)O 34a_100000743037_200009817547 [0,1,0,0,0,0|1,0,2]=4 4634 B13R1.9 O=CCOCCc1ccc(cc1)Br 34a_100000766406_200009817547 [0,1,0,0,0,0|1,0,2]=4 4635 B13R1.9 O=CCOCCc1ccc(cc1)Br 7a_100000766406_200015260668 [0,1,0,0,0,0|1,0,2]=4 4636 B13R1.9 O=CCOCCc1ccc(cc1)Cl 34a_100011219627_200009817547 [0,1,0,0,0,0|1,0,2]=4 4637 B13R1.9 O=CCOCCc1ccc(cc1)Cl 7a_100011219627_200015260668 [0,1,0,0,0,0|1,0,2]=4 4638 B13R1.9 O=CCOCCc1ccc(cc1)F 34a_100000754732_200009817547 [0,1,0,0,0,0|1,0,2]=4 4639 B13R1.9 O=CCOCCc1ccc(cc1)F 7a_100000754732_200015260668 [0,1,0,0,0,0|1,0,2]=4 4640 B13R1.9 O=CCOCCc1ccc(cc1)I 34a_100012291149_200009817547 [0,1,0,0,0,0|1,0,2]=4 4641 B13R1.9 O=CCOCCc1ccc(cc1)I 7a_100012291149_200015260668 [0,1,0,0,0,0|1,0,2]=4 4642 B13R1.9 O=CCSCCc1ccc(cc1)Br 62a_100011740612_200015260668 [0,1,0,0,0,0|1,0,2]=4 4643 B13R1.9 O=CCSCCc1ccc(cc1)Br 62a_200015260668_100011740612 [0,1,0,0,0,0|1,0,2]=4 4644 B13R1.9 O=CCSCCc1ccc(cc1)Cl 62a_100011713675_200015260668 [0,1,0,0,0,0|1,0,2]=4 4645 B13R1.9 O=CCSCCc1ccc(cc1)Cl 62a_200015260668_100011713675 [0,1,0,0,0,0|1,0,2]=4 4646 B13R1.9 O=CCSCCc1ccc(cc1)F 62a_100011217392_200015260668 [0,1,0,0,0,0|1,0,2]=4 4647 B13R1.9 O=CCSCCc1ccc(cc1)F 62a_200015260668_100011217392 [0,1,0,0,0,0|1,0,2]=4 4648 B13R1.9 O=CCSCCc1ccc(cc1)O 62a_100009816426_200015260668 [0,1,0,0,0,0|1,0,2]=4 4649 B13R1.9 O=CCSCCc1ccc(cc1)O 62a_200015260668_100009816426 [0,1,0,0,0,0|1,0,2]=4 4650 B13R1.9 O=c1ccc(c[nH]1)COCCCF 34a_100011999846_100011934791 [0,1,0,0,0,0|3,0,0]=4 4651 B13R1.9 O=c1ccc(c[nH]1)COCCCO 34a_100011999846_100000230001 [0,1,0,0,0,0|2,0,0]=3 4652 B13R1.9 O=c1ccc(c[nH]1)OCCCCF 34a_100000075641_100000729493 [0,1,0,0,0,0|3,0,0]=4 4653 B13R1.9 O=c1ccc(c[nH]1)OCCCCO 34a_100000075641_100011216708 [0,1,0,0,0,0|2,0,0]=3 4654 B13R1.9 O=c1ccc(c[nH]1)SCCCCF 62a_100000212171_100000729493 [0,1,0,0,0,0|3,0,0]=4 4655 B13R1.9 O=c1ccc(c[nH]1)SCCCCF 62a_100000729493_100000212171 [0,1,0,0,0,0|3,0,0]=4 4656 B13R1.9 O=c1ccc(c[nH]1)SCCCCO 62a_100000210776_100000212171 [0,1,0,0,0,0|2,0,0]=3 4657 B13R1.9 O=c1ccc(c[nH]1)SCCCCO 62a_100000212171_100000210776 [0,1,0,0,0,0|2,0,0]=3 4658 B13R1.9 O=c1ccc(n[nH]1)CNCCCO 207a_100000182051_100011361533 [0,1,0,0,0,0|3,0,0]=4 4659 B13R1.9 O=c1ccc(n[nH]1)CNCCCO 270004a_100000182051_100011361533 [0,1,0,0,0,0|3,0,0]=4 4660 B13R1.9 O=c1ccc(n[nH]1)SCCCCO 62a_100000210776_100009820020 [0,1,0,0,0,0|3,0,0]=4 4661 B13R1.9 O=c1ccc(n[nH]1)SCCCCO 62a_100009820020_100000210776 [0,1,0,0,0,0|3,0,0]=4 4662 B13R1.9 O=c1ncc(c[nH]1)SCCCCO 62a_100000210776_102495366499 [0,1,0,0,0,0|3,0,0]=4 4663 B13R1.9 O=c1ncc(c[nH]1)SCCCCO 62a_102495366499_100000210776 [0,1,0,0,0,0|3,0,0]=4 4664 B13R1.9 OCC#CCNc1ccc(cc1)Br 2230a_100000210018_200000047223 [0,1,0,0,0,0|1,0,2]=4 4665 B13R1.9 OCC#CCNc1ccc(cc1)Br 34a_100000210018_200000047223 [0,1,0,0,0,0|1,0,2]=4 4666 B13R1.9 OCC#CCNc1ccc(cc1)Cl 2230a_100000210052_200000047223 [0,1,0,0,0,0|1,0,2]=4 4667 B13R1.9 OCC#CCNc1ccc(cc1)Cl 34a_100000210052_200000047223 [0,1,0,0,0,0|1,0,2]=4 4668 B13R1.9 OCC#CCNc1ccc(cc1)F 34a_100000185862_200000047223 [0,1,0,0,0,0|1,0,2]=4 4669 B13R1.9 OCC#CCNc1ccc(cc1)I 34a_100000185761_200000047223 [0,1,0,0,0,0|1,0,2]=4 4670 B13R1.9 OCC#CCNc1ccc(cc1)O 34a_100000185829_200000047223 [0,1,0,0,0,0|1,0,2]=4 4671 B13R1.9 OCC#CCOc1ccc(cc1)Br 34a_100000185759_200000047223 [0,1,0,0,0,0|1,0,2]=4 4672 B13R1.9 OCC#CCOc1ccc(cc1)Br 7a_100000185759_200000047223 [0,1,0,0,0,0|1,0,2]=4 4673 B13R1.9 OCC#CCOc1ccc(cc1)Cl 34a_100000210216_200000047223 [0,1,0,0,0,0|1,0,2]=4 4674 B13R1.9 OCC#CCOc1ccc(cc1)Cl 7a_100000210216_200000047223 [0,1,0,0,0,0|1,0,2]=4 4675 B13R1.9 OCC#CCOc1ccc(cc1)F 34a_100000210339_200000047223 [0,1,0,0,0,0|1,0,2]=4 4676 B13R1.9 OCC#CCOc1ccc(cc1)I 34a_100000212066_200000047223 [0,1,0,0,0,0|1,0,2]=4 4677 B13R1.9 OCC#CCOc1ccc(cc1)I 7a_100000212066_200000047223 [0,1,0,0,0,0|1,0,2]=4 4678 B13R1.9 OCC#CCSc1ccc(cc1)Br 62a_100000752885_200000047223 [0,1,0,0,0,0|1,0,2]=4 4679 B13R1.9 OCC#CCSc1ccc(cc1)Br 62a_200000047223_100000752885 [0,1,0,0,0,0|1,0,2]=4 4680 B13R1.9 OCC#CCSc1ccc(cc1)Cl 62a_100000755918_200000047223 [0,1,0,0,0,0|1,0,2]=4 4681 B13R1.9 OCC#CCSc1ccc(cc1)Cl 62a_200000047223_100000755918 [0,1,0,0,0,0|1,0,2]=4 4682 B13R1.9 OCC#CCSc1ccc(cc1)F 62a_100000211213_200000047223 [0,1,0,0,0,0|1,0,2]=4 4683 B13R1.9 OCC#CCSc1ccc(cc1)F 62a_200000047223_100000211213 [0,1,0,0,0,0|1,0,2]=4 4684 B13R1.9 OCC#CCSc1ccc(cc1)O 62a_200000047223_100000185759 [0,1,0,0,0,0|1,0,2]=4 4685 B13R1.9 OCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210776 [0,1,0,0,0,0|1,0,0]=2 4686 B13R1.9 OCCCCNc1ccc(cc1)Br 34a_100000210018_100011216708 [0,1,0,0,0,0|1,0,0]=2 4687 B13R1.9 OCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210776 [0,1,0,0,0,0|1,0,0]=2 4688 B13R1.9 OCCCCNc1ccc(cc1)Cl 34a_100000210052_100011216708 [0,1,0,0,0,0|1,0,0]=2 4689 B13R1.9 OCCCCNc1ccc(cc1)F 34a_100000185862_100011216708 [0,1,0,0,0,0|1,0,0]=2 4690 B13R1.9 OCCCCNc1ccc(cc1)I 34a_100000185761_100011216708 [0,1,0,0,0,0|1,0,0]=2 4691 B13R1.9 OCCCCNc1ccc(cc1)O 34a_100000185829_100011216708 [0,1,0,0,0,0|1,0,0]=2 4692 B13R1.9 OCCCCNc1ccc(cn1)Br 27a_100000750430_100000686858 [0,1,0,0,0,0|2,0,0]=3 4693 B13R1.9 OCCCCNc1cnc(cn1)Br 27a_100000750430_100010187541 [0,1,0,0,0,0|3,0,0]=4 4694 B13R1.9 OCCCCNc1cnc(cn1)F 27a_100000750430_100009856528 [0,1,0,0,0,0|3,0,0]=4 4695 B13R1.9 OCCCCNc1ncc(cn1)Br 27a_100000750430_100000690281 [0,1,0,0,0,0|3,0,0]=4 4696 B13R1.9 OCCCCNc1ncc(cn1)Cl 27a_100000750430_100011356929 [0,1,0,0,0,0|3,0,0]=4 4697 B13R1.9 OCCCCNc1ncc(cn1)F 27a_100000750430_100000685220 [0,1,0,0,0,0|3,0,0]=4 4698 B13R1.9 OCCCCOc1ccc(cc1)Br 34a_100000185759_100011216708 [0,1,0,0,0,0|1,0,0]=2 4699 B13R1.9 OCCCCOc1ccc(cc1)Br 7a_100000185759_100000210776 [0,1,0,0,0,0|1,0,0]=2 4700 B13R1.9 OCCCCOc1ccc(cc1)Cl 34a_100000210216_100011216708 [0,1,0,0,0,0|1,0,0]=2 4701 B13R1.9 OCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210776 [0,1,0,0,0,0|1,0,0]=2 4702 B13R1.9 OCCCCOc1ccc(cc1)F 34a_100000210339_100011216708 [0,1,0,0,0,0|1,0,0]=2 4703 B13R1.9 OCCCCOc1ccc(cc1)I 34a_100000212066_100011216708 [0,1,0,0,0,0|1,0,0]=2 4704 B13R1.9 OCCCCOc1ccc(cc1)I 7a_100000212066_100000210776 [0,1,0,0,0,0|1,0,0]=2 4705 B13R1.9 OCCCCOc1ccc(cn1)Cl 34a_100011215309_100011216708 [0,1,0,0,0,0|2,0,0]=3 4706 B13R1.9 OCCCCOc1ccc(cn1)F 34a_100000742473_100011216708 [0,1,0,0,0,0|2,0,0]=3 4707 B13R1.9 OCCCCOc1ccc(nc1)Br 34a_100000685995_100011216708 [0,1,0,0,0,0|2,0,0]=3 4708 B13R1.9 OCCCCOc1ccc(nc1)Br 7a_100000685995_100000210776 [0,1,0,0,0,0|2,0,0]=3 4709 B13R1.9 OCCCCOc1ccc(nc1)Cl 34a_100000744096_100011216708 [0,1,0,0,0,0|2,0,0]=3 4710 B13R1.9 OCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210776 [0,1,0,0,0,0|2,0,0]=3 4711 B13R1.9 OCCCCOc1ccc(nc1)F 34a_100000688820_100011216708 [0,1,0,0,0,0|2,0,0]=3 4712 B13R1.9 OCCCCOc1ccc(nc1)F 7a_100000688820_100000210776 [0,1,0,0,0,0|2,0,0]=3 4713 B13R1.9 OCCCCOc1ccc(nc1)I 34a_100000687607_100011216708 [0,1,0,0,0,0|2,0,0]=3 4714 B13R1.9 OCCCCOc1ccc(nc1)I 7a_100000687607_100000210776 [0,1,0,0,0,0|2,0,0]=3 4715 B13R1.9 OCCCCOc1cnc(cn1)Br 34a_100011934580_100011216708 [0,1,0,0,0,0|3,0,0]=4 4716 B13R1.9 OCCCCOc1cnc(cn1)Cl 34a_100015839800_100011216708 [0,1,0,0,0,0|3,0,0]=4 4717 B13R1.9 OCCCCOc1cnc(nc1)Br 34a_100000730009_100011216708 [0,1,0,0,0,0|3,0,0]=4 4718 B13R1.9 OCCCCOc1cnc(nc1)Br 7a_100000730009_100000210776 [0,1,0,0,0,0|3,0,0]=4 4719 B13R1.9 OCCCCOc1cnc(nc1)Cl 34a_100000092845_100011216708 [0,1,0,0,0,0|3,0,0]=4 4720 B13R1.9 OCCCCOc1cnc(nc1)Cl 7a_100000092845_100000210776 [0,1,0,0,0,0|3,0,0]=4 4721 B13R1.9 OCCCCOc1cnc(nc1)F 34a_200009874573_100011216708 [0,1,0,0,0,0|3,0,0]=4 4722 B13R1.9 OCCCCOc1cnc(nc1)F 7a_200009874573_100000210776 [0,1,0,0,0,0|3,0,0]=4 4723 B13R1.9 OCCCCOc1ncc(cn1)F 34a_100011934040_100011216708 [0,1,0,0,0,0|3,0,0]=4 4724 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000210776_100000752885 [0,1,0,0,0,0|1,0,0]=2 4725 B13R1.9 OCCCCSc1ccc(cc1)Br 62a_100000752885_100000210776 [0,1,0,0,0,0|1,0,0]=2 4726 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000210776_100000755918 [0,1,0,0,0,0|1,0,0]=2 4727 B13R1.9 OCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210776 [0,1,0,0,0,0|1,0,0]=2 4728 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000210776_100000211213 [0,1,0,0,0,0|1,0,0]=2 4729 B13R1.9 OCCCCSc1ccc(cc1)F 62a_100000211213_100000210776 [0,1,0,0,0,0|1,0,0]=2 4730 B13R1.9 OCCCCSc1ccc(cc1)O 62a_100000210776_100000185759 [0,1,0,0,0,0|1,0,0]=2 4731 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000210776_100000686858 [0,1,0,0,0,0|2,0,0]=3 4732 B13R1.9 OCCCCSc1ccc(cn1)Br 62a_100000686858_100000210776 [0,1,0,0,0,0|2,0,0]=3 4733 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100000210776_100011356976 [0,1,0,0,0,0|2,0,0]=3 4734 B13R1.9 OCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210776 [0,1,0,0,0,0|2,0,0]=3 4735 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000210776_100000744514 [0,1,0,0,0,0|2,0,0]=3 4736 B13R1.9 OCCCCSc1ccc(cn1)F 62a_100000744514_100000210776 [0,1,0,0,0,0|2,0,0]=3 4737 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000210776_100000744096 [0,1,0,0,0,0|2,0,0]=3 4738 B13R1.9 OCCCCSc1ccc(cn1)O 62a_100000685995_100000210776 [0,1,0,0,0,0|2,0,0]=3 4739 B13R1.9 OCCCCSc1ccc(nc1)Br 62a_100000210776_100009814638 [0,1,0,0,0,0|2,0,0]=3 4740 B13R1.9 OCCCCSc1ccc(nc1)Br 62a_100009814638_100000210776 [0,1,0,0,0,0|2,0,0]=3 4741 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210776 [0,1,0,0,0,0|2,0,0]=3 4742 B13R1.9 OCCCCSc1ccc(nc1)Cl 62a_100000210776_100000034144 [0,1,0,0,0,0|2,0,0]=3 4743 B13R1.9 OCCCCSc1ccc(nc1)F 62a_100000042367_100000210776 [0,1,0,0,0,0|2,0,0]=3 4744 B13R1.9 OCCCCSc1ccc(nc1)F 62a_100000210776_100000042367 [0,1,0,0,0,0|2,0,0]=3 4745 B13R1.9 OCCCCSc1ccc(nn1)Cl 62a_100000068654_100000210776 [0,1,0,0,0,0|3,0,0]=4 4746 B13R1.9 OCCCCSc1ccc(nn1)Cl 62a_100000210776_100000068654 [0,1,0,0,0,0|3,0,0]=4 4747 B13R1.9 OCCCCSc1cnc(cn1)Br 62a_100000210776_100010187541 [0,1,0,0,0,0|3,0,0]=4 4748 B13R1.9 OCCCCSc1cnc(cn1)Br 62a_100010187541_100000210776 [0,1,0,0,0,0|3,0,0]=4 4749 B13R1.9 OCCCCSc1cnc(cn1)Cl 62a_100000210776_100010214907 [0,1,0,0,0,0|3,0,0]=4 4750 B13R1.9 OCCCCSc1cnc(cn1)Cl 62a_100010214907_100000210776 [0,1,0,0,0,0|3,0,0]=4 4751 B13R1.9 OCCCCSc1cnc(cn1)F 62a_100000210776_100009856528 [0,1,0,0,0,0|3,0,0]=4 4752 B13R1.9 OCCCCSc1cnc(cn1)F 62a_100009856528_100000210776 [0,1,0,0,0,0|3,0,0]=4 4753 B13R1.9 OCCCCSc1cnc(cn1)O 62a_100000210776_100015839800 [0,1,0,0,0,0|3,0,0]=4 4754 B13R1.9 OCCCCSc1cnc(cn1)O 62a_100011934580_100000210776 [0,1,0,0,0,0|3,0,0]=4 4755 B13R1.9 OCCCCSc1cnc(nc1)Br 62a_100000210776_200012349914 [0,1,0,0,0,0|3,0,0]=4 4756 B13R1.9 OCCCCSc1cnc(nc1)Br 62a_200012349914_100000210776 [0,1,0,0,0,0|3,0,0]=4 4757 B13R1.9 OCCCCSc1cnc(nc1)Cl 62a_100000059775_100000210776 [0,1,0,0,0,0|3,0,0]=4 4758 B13R1.9 OCCCCSc1cnc(nc1)Cl 62a_100000210776_100000059775 [0,1,0,0,0,0|3,0,0]=4 4759 B13R1.9 OCCCCSc1cnc(nc1)F 62a_100000210776_100000685262 [0,1,0,0,0,0|3,0,0]=4 4760 B13R1.9 OCCCCSc1cnc(nc1)F 62a_100000685262_100000210776 [0,1,0,0,0,0|3,0,0]=4 4761 B13R1.9 OCCCCSc1ncc(cn1)Br 62a_100000210776_100000690281 [0,1,0,0,0,0|3,0,0]=4 4762 B13R1.9 OCCCCSc1ncc(cn1)Br 62a_100000690281_100000210776 [0,1,0,0,0,0|3,0,0]=4 4763 B13R1.9 OCCCCSc1ncc(cn1)Cl 62a_100000210776_100011356929 [0,1,0,0,0,0|3,0,0]=4 4764 B13R1.9 OCCCCSc1ncc(cn1)Cl 62a_100011356929_100000210776 [0,1,0,0,0,0|3,0,0]=4 4765 B13R1.9 OCCCCSc1ncc(cn1)F 62a_100000210776_100000685220 [0,1,0,0,0,0|3,0,0]=4 4766 B13R1.9 OCCCCSc1ncc(cn1)F 62a_100000685220_100000210776 [0,1,0,0,0,0|3,0,0]=4 4767 B13R1.9 OCCCCSc1ncc(cn1)O 62a_100000210776_100000092845 [0,1,0,0,0,0|3,0,0]=4 4768 B13R1.9 OCCCCSc1ncc(cn1)O 62a_100000730009_100000210776 [0,1,0,0,0,0|3,0,0]=4 4769 B13R1.9 OCCCNCc1ccc(cc1)Br 207a_100000182051_100000186029 [0,1,0,0,0,0|1,0,0]=2 4770 B13R1.9 OCCCNCc1ccc(cc1)Br 2230a_100000174875_100000230001 [0,1,0,0,0,0|1,0,0]=2 4771 B13R1.9 OCCCNCc1ccc(cc1)Br 270004a_100000182051_100000186029 [0,1,0,0,0,0|1,0,0]=2 4772 B13R1.9 OCCCNCc1ccc(cc1)Br 34a_100000174875_100000230001 [0,1,0,0,0,0|1,0,0]=2 4773 B13R1.9 OCCCNCc1ccc(cc1)Cl 207a_100000182051_100000189385 [0,1,0,0,0,0|1,0,0]=2 4774 B13R1.9 OCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000230001 [0,1,0,0,0,0|1,0,0]=2 4775 B13R1.9 OCCCNCc1ccc(cc1)Cl 270004a_100000182051_100000189385 [0,1,0,0,0,0|1,0,0]=2 4776 B13R1.9 OCCCNCc1ccc(cc1)Cl 34a_100000174871_100000230001 [0,1,0,0,0,0|1,0,0]=2 4777 B13R1.9 OCCCNCc1ccc(cc1)F 207a_100000182051_100000210084 [0,1,0,0,0,0|1,0,0]=2 4778 B13R1.9 OCCCNCc1ccc(cc1)F 2230a_100000174882_100000230001 [0,1,0,0,0,0|1,0,0]=2 4779 B13R1.9 OCCCNCc1ccc(cc1)F 270004a_100000182051_100000210084 [0,1,0,0,0,0|1,0,0]=2 4780 B13R1.9 OCCCNCc1ccc(cc1)F 34a_100000174882_100000230001 [0,1,0,0,0,0|1,0,0]=2 4781 B13R1.9 OCCCNCc1ccc(cc1)I 207a_100000182051_100000188517 [0,1,0,0,0,0|1,0,0]=2 4782 B13R1.9 OCCCNCc1ccc(cc1)I 2230a_100016989417_100000230001 [0,1,0,0,0,0|1,0,0]=2 4783 B13R1.9 OCCCNCc1ccc(cc1)I 34a_100016989417_100000230001 [0,1,0,0,0,0|1,0,0]=2 4784 B13R1.9 OCCCNCc1ccc(cc1)O 34a_100000185549_100000230001 [0,1,0,0,0,0|1,0,0]=2 4785 B13R1.9 OCCCNCc1ccc(cn1)Br 207a_100000182051_100000754260 [0,1,0,0,0,0|2,0,0]=3 4786 B13R1.9 OCCCNCc1ccc(cn1)Br 270004a_100000182051_100000754260 [0,1,0,0,0,0|2,0,0]=3 4787 B13R1.9 OCCCNCc1ccc(cn1)Br 34a_100015188789_100000230001 [0,1,0,0,0,0|2,0,0]=3 4788 B13R1.9 OCCCNCc1ccc(cn1)Cl 207a_100000182051_100011361569 [0,1,0,0,0,0|2,0,0]=3 4789 B13R1.9 OCCCNCc1ccc(cn1)Cl 270004a_100000182051_100011361569 [0,1,0,0,0,0|2,0,0]=3 4790 B13R1.9 OCCCNCc1ccc(cn1)Cl 34a_100000697193_100000230001 [0,1,0,0,0,0|2,0,0]=3 4791 B13R1.9 OCCCNCc1ccc(cn1)F 207a_100000182051_100011934744 [0,1,0,0,0,0|2,0,0]=3 4792 B13R1.9 OCCCNCc1ccc(cn1)F 270004a_100000182051_100011934744 [0,1,0,0,0,0|2,0,0]=3 4793 B13R1.9 OCCCNCc1ccc(cn1)F 34a_100020620131_100000230001 [0,1,0,0,0,0|2,0,0]=3 4794 B13R1.9 OCCCNCc1ccc(nc1)Br 2230a_100009817727_100000230001 [0,1,0,0,0,0|2,0,0]=3 4795 B13R1.9 OCCCNCc1ccc(nc1)Br 34a_100009817727_100000230001 [0,1,0,0,0,0|2,0,0]=3 4796 B13R1.9 OCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000230001 [0,1,0,0,0,0|2,0,0]=3 4797 B13R1.9 OCCCNCc1ccc(nc1)Cl 34a_100000735879_100000230001 [0,1,0,0,0,0|2,0,0]=3 4798 B13R1.9 OCCCNCc1ccc(nc1)F 2230a_100000101913_100000230001 [0,1,0,0,0,0|2,0,0]=3 4799 B13R1.9 OCCCNCc1ccc(nc1)F 34a_100000101913_100000230001 [0,1,0,0,0,0|2,0,0]=3 4800 B13R1.9 OCCCNCc1ccc(nc1)O 207a_100000182051_100011361521 [0,1,0,0,0,0|2,0,0]=3 4801 B13R1.9 OCCCNCc1ccc(nc1)O 2230a_100000757128_100000230001 [0,1,0,0,0,0|2,0,0]=3 4802 B13R1.9 OCCCNCc1ccc(nn1)Cl 270004a_100000182051_100000044651 [0,1,0,0,0,0|3,0,0]=4 4803 B13R1.9 OCCCNCc1cnc(cn1)Cl 270004a_100000182051_100012001714 [0,1,0,0,0,0|3,0,0]=4 4804 B13R1.9 OCCCOCc1ccc(cc1)Br 34a_100000695286_100000230001 [0,1,0,0,0,0|1,0,0]=2 4805 B13R1.9 OCCCOCc1ccc(cc1)Cl 34a_100000211118_100000230001 [0,1,0,0,0,0|1,0,0]=2 4806 B13R1.9 OCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215043 [0,1,0,0,0,0|1,0,0]=2 4807 B13R1.9 OCCCOCc1ccc(cc1)F 34a_100000210977_100000230001 [0,1,0,0,0,0|1,0,0]=2 4808 B13R1.9 OCCCOCc1ccc(cc1)F 7a_100000210977_100011215043 [0,1,0,0,0,0|1,0,0]=2 4809 B13R1.9 OCCCOCc1ccc(cc1)I 34a_100000690907_100000230001 [0,1,0,0,0,0|1,0,0]=2 4810 B13R1.9 OCCCOCc1ccc(cc1)I 7a_100000690907_100011215043 [0,1,0,0,0,0|1,0,0]=2 4811 B13R1.9 OCCCOCc1ccc(cn1)Br 34a_100000754261_100000230001 [0,1,0,0,0,0|2,0,0]=3 4812 B13R1.9 OCCCOCc1ccc(cn1)Cl 34a_100000703999_100000230001 [0,1,0,0,0,0|2,0,0]=3 4813 B13R1.9 OCCCOCc1ccc(cn1)F 34a_100011999454_100000230001 [0,1,0,0,0,0|2,0,0]=3 4814 B13R1.9 OCCCOCc1ccc(nc1)Br 34a_100009816760_100000230001 [0,1,0,0,0,0|2,0,0]=3 4815 B13R1.9 OCCCOCc1ccc(nc1)Br 7a_100009816760_100011215043 [0,1,0,0,0,0|2,0,0]=3 4816 B13R1.9 OCCCOCc1ccc(nc1)Cl 34a_100000755211_100000230001 [0,1,0,0,0,0|2,0,0]=3 4817 B13R1.9 OCCCOCc1ccc(nc1)Cl 7a_100000755211_100011215043 [0,1,0,0,0,0|2,0,0]=3 4818 B13R1.9 OCCCOCc1ccc(nc1)F 34a_100000079959_100000230001 [0,1,0,0,0,0|2,0,0]=3 4819 B13R1.9 OCCCOCc1cnc(cn1)Cl 34a_100012002382_100000230001 [0,1,0,0,0,0|3,0,0]=4 4820 B13R1.9 OCCCOCc1cnc(nc1)Cl 34a_100009855073_100000230001 [0,1,0,0,0,0|3,0,0]=4 4821 B13R1.9 OCCCOCc1cnc(nc1)Cl 7a_100009855073_100011215043 [0,1,0,0,0,0|3,0,0]=4 4822 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100000189115_100011215043 [0,1,0,0,0,0|1,0,0]=2 4823 B13R1.9 OCCCSCc1ccc(cc1)Br 62a_100011215043_100000189115 [0,1,0,0,0,0|1,0,0]=2 4824 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215043 [0,1,0,0,0,0|1,0,0]=2 4825 B13R1.9 OCCCSCc1ccc(cc1)Cl 62a_100011215043_100000187161 [0,1,0,0,0,0|1,0,0]=2 4826 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100000198546_100011215043 [0,1,0,0,0,0|1,0,0]=2 4827 B13R1.9 OCCCSCc1ccc(cc1)F 62a_100011215043_100000187164 [0,1,0,0,0,0|1,0,0]=2 4828 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100000189116_100011215043 [0,1,0,0,0,0|1,0,0]=2 4829 B13R1.9 OCCCSCc1ccc(cc1)I 62a_100011215043_100000189116 [0,1,0,0,0,0|1,0,0]=2 4830 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100000702658_100011215043 [0,1,0,0,0,0|2,0,0]=3 4831 B13R1.9 OCCCSCc1ccc(cn1)Br 62a_100011215043_100000702658 [0,1,0,0,0,0|2,0,0]=3 4832 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100011215043_100000697101 [0,1,0,0,0,0|2,0,0]=3 4833 B13R1.9 OCCCSCc1ccc(cn1)Cl 62a_100012066911_100011215043 [0,1,0,0,0,0|2,0,0]=3 4834 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100000703193_100011215043 [0,1,0,0,0,0|2,0,0]=3 4835 B13R1.9 OCCCSCc1ccc(cn1)F 62a_100011215043_100000703193 [0,1,0,0,0,0|2,0,0]=3 4836 B13R1.9 OCCCSCc1ccc(nc1)Br 62a_100009831999_100011215043 [0,1,0,0,0,0|2,0,0]=3 4837 B13R1.9 OCCCSCc1ccc(nc1)Br 62a_100011215043_100009831999 [0,1,0,0,0,0|2,0,0]=3 4838 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100000735431_100011215043 [0,1,0,0,0,0|2,0,0]=3 4839 B13R1.9 OCCCSCc1ccc(nc1)Cl 62a_100011215043_100000735431 [0,1,0,0,0,0|2,0,0]=3 4840 B13R1.9 OCCCSCc1ccc(nc1)F 62a_100009820150_100011215043 [0,1,0,0,0,0|2,0,0]=3 4841 B13R1.9 OCCCSCc1ccc(nc1)F 62a_100011215043_100000099788 [0,1,0,0,0,0|2,0,0]=3 4842 B13R1.9 OCCCSCc1ccc(nn1)Cl 62a_100011215043_100016992710 [0,1,0,0,0,0|3,0,0]=4 4843 B13R1.9 OCCCSCc1ccc(nn1)Cl 62a_100016992710_100011215043 [0,1,0,0,0,0|3,0,0]=4 4844 B13R1.9 OCCCSCc1ncc(cn1)Br 62a_100010064664_100011215043 [0,1,0,0,0,0|3,0,0]=4 4845 B13R1.9 OCCCSCc1ncc(cn1)Br 62a_100011215043_100010064664 [0,1,0,0,0,0|3,0,0]=4 4846 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100000755846_100000211926 [0,1,0,0,0,0|1,0,0]=2 4847 B13R1.9 OCCNCCc1ccc(cc1)Br 2230a_100016997473_100011740612 [0,1,0,0,0,0|1,0,0]=2 4848 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100000755846_100000211926 [0,1,0,0,0,0|1,0,0]=2 4849 B13R1.9 OCCNCCc1ccc(cc1)Br 34a_100016990907_100011740612 [0,1,0,0,0,0|1,0,0]=2 4850 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000211926 [0,1,0,0,0,0|1,0,0]=2 4851 B13R1.9 OCCNCCc1ccc(cc1)Cl 2230a_100016997473_100011713675 [0,1,0,0,0,0|1,0,0]=2 4852 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100000185265_100000211926 [0,1,0,0,0,0|1,0,0]=2 4853 B13R1.9 OCCNCCc1ccc(cc1)Cl 34a_100016990907_100011713675 [0,1,0,0,0,0|1,0,0]=2 4854 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100000199005_100000211926 [0,1,0,0,0,0|1,0,0]=2 4855 B13R1.9 OCCNCCc1ccc(cc1)F 2230a_100016997473_100011217392 [0,1,0,0,0,0|1,0,0]=2 4856 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100000199005_100000211926 [0,1,0,0,0,0|1,0,0]=2 4857 B13R1.9 OCCNCCc1ccc(cc1)F 34a_100016990907_100011217392 [0,1,0,0,0,0|1,0,0]=2 4858 B13R1.9 OCCNCCc1ccc(cc1)O 2230a_100016997473_100009816426 [0,1,0,0,0,0|1,0,0]=2 4859 B13R1.9 OCCNCCc1ccc(cc1)O 34a_100000743037_100000211926 [0,1,0,0,0,0|1,0,0]=2 4860 B13R1.9 OCCNN=Cc1ccc(cc1)Br 4a_100000210001_100000186029 [0,1,0,0,0,0|2,0,1]=4 4861 B13R1.9 OCCNN=Cc1ccc(cc1)Cl 4a_100000210001_100000189385 [0,1,0,0,0,0|2,0,1]=4 4862 B13R1.9 OCCNN=Cc1ccc(cc1)F 4a_100000210001_100000210084 [0,1,0,0,0,0|2,0,1]=4 4863 B13R1.9 OCCNN=Cc1ccc(cc1)I 4a_100000210001_100000188517 [0,1,0,0,0,0|2,0,1]=4 4864 B13R1.9 OCCNN=Cc1ccc(cc1)O 4a_100000210001_100000185832 [0,1,0,0,0,0|2,0,1]=4 4865 B13R1.9 OCCOCCc1ccc(cc1)Br 34a_100000766406_100000211926 [0,1,0,0,0,0|1,0,0]=2 4866 B13R1.9 OCCOCCc1ccc(cc1)Br 7a_100000766406_100000211926 [0,1,0,0,0,0|1,0,0]=2 4867 B13R1.9 OCCOCCc1ccc(cc1)Cl 34a_100011219627_100000211926 [0,1,0,0,0,0|1,0,0]=2 4868 B13R1.9 OCCOCCc1ccc(cc1)Cl 7a_100011219627_100000211926 [0,1,0,0,0,0|1,0,0]=2 4869 B13R1.9 OCCOCCc1ccc(cc1)F 34a_100000754732_100000211926 [0,1,0,0,0,0|1,0,0]=2 4870 B13R1.9 OCCOCCc1ccc(cc1)F 7a_100000754732_100000211926 [0,1,0,0,0,0|1,0,0]=2 4871 B13R1.9 OCCOCCc1ccc(cc1)I 34a_100012291149_100000211926 [0,1,0,0,0,0|1,0,0]=2 4872 B13R1.9 OCCOCCc1ccc(cc1)I 7a_100012291149_100000211926 [0,1,0,0,0,0|1,0,0]=2 4873 B13R1.9 OCCOCCc1ccc(cn1)Br 34a_100012357577_100000211926 [0,1,0,0,0,0|2,0,0]=3 4874 B13R1.9 OCCOCCc1ccc(nc1)Cl 34a_100009880866_100000211926 [0,1,0,0,0,0|2,0,0]=3 4875 B13R1.9 OCCOCCc1ccc(nc1)Cl 7a_100009880866_100000211926 [0,1,0,0,0,0|2,0,0]=3 4876 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100000211926_100011740612 [0,1,0,0,0,0|1,0,0]=2 4877 B13R1.9 OCCSCCc1ccc(cc1)Br 62a_100011740612_100000211926 [0,1,0,0,0,0|1,0,0]=2 4878 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100000211926_100011713675 [0,1,0,0,0,0|1,0,0]=2 4879 B13R1.9 OCCSCCc1ccc(cc1)Cl 62a_100011713675_100000211926 [0,1,0,0,0,0|1,0,0]=2 4880 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100000211926_100011217392 [0,1,0,0,0,0|1,0,0]=2 4881 B13R1.9 OCCSCCc1ccc(cc1)F 62a_100011217392_100000211926 [0,1,0,0,0,0|1,0,0]=2 4882 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100000211926_100009816426 [0,1,0,0,0,0|1,0,0]=2 4883 B13R1.9 OCCSCCc1ccc(cc1)O 62a_100009816426_100000211926 [0,1,0,0,0,0|1,0,0]=2 4884 B13R1.9 Oc1ccc(cc1)CCNCCF 34a_100000743037_100011217306 [0,1,0,0,0,0|2,0,0]=3 4885 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100009816426_100011217306 [0,1,0,0,0,0|2,0,0]=3 4886 B13R1.9 Oc1ccc(cc1)CCSCCF 62a_100011217306_100009816426 [0,1,0,0,0,0|2,0,0]=3 4887 B13R1.9 Oc1ccc(cc1)CNCCCF 34a_100000185549_100011934791 [0,1,0,0,0,0|2,0,0]=3 4888 B13R1.9 Oc1ccc(cc1)NCCCCF 34a_100000185829_100000729493 [0,1,0,0,0,0|2,0,0]=3 4889 B13R1.9 Oc1ccc(cc1)SCCCCF 62a_100000729493_100000185759 [0,1,0,0,0,0|2,0,0]=3 4890 B13R1.9 Oc1ccc(cn1)CNCCCF 207a_100015189416_100011361521 [0,1,0,0,0,0|3,0,0]=4 4891 B13R1.9 Oc1ccc(cn1)CNCCCF 2230a_100000757128_100011934791 [0,1,0,0,0,0|3,0,0]=4 4892 B13R1.9 Oc1ccc(nc1)SCCCCF 62a_100000685995_100000729493 [0,1,0,0,0,0|3,0,0]=4 4893 B13R1.9 Oc1ccc(nc1)SCCCCF 62a_100000729493_100000744096 [0,1,0,0,0,0|3,0,0]=4 4894 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 2230a_100160821348_200025704644 [0,1,0,0,0,0|2,0,0]=3 4895 B13R1.9 [13CH3]NCCCCc1ccc(cc1)Cl 34a_100160821348_200025704644 [0,1,0,0,0,0|2,0,0]=3 4896 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 2230a_200011199081_200025704644 [0,1,0,0,0,0|3,0,0]=4 4897 B13R1.9 [13CH3]NCCCOc1ccc(cc1)Cl 34a_200011199081_200025704644 [0,1,0,0,0,0|3,0,0]=4 4898 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 2230a_100000747263_200025704644 [0,1,0,0,0,0|3,0,0]=4 4899 B13R1.9 [13CH3]NCCCOc1ccc(cc1)F 34a_100000747263_200025704644 [0,1,0,0,0,0|3,0,0]=4 4900 B13R1.9 [13CH3]NCCCSc1ccc(cc1)Cl 2230a_100000189518_200025704644 [0,1,0,0,0,0|3,0,0]=4 4901 B13R1.9 [13CH3]NCCCSc1ccc(cc1)F 2230a_100000683907_200025704644 [0,1,0,0,0,0|3,0,0]=4 4902 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 2230a_100000189180_200025704644 [0,1,0,0,0,0|3,0,0]=4 4903 B13R1.9 [13CH3]NCCOCc1ccc(cc1)Cl 34a_100000189180_200025704644 [0,1,0,0,0,0|3,0,0]=4 4904 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 2230a_100000739548_200025704644 [0,1,0,0,0,0|3,0,0]=4 4905 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 34a_100000739548_200025704644 [0,1,0,0,0,0|3,0,0]=4 4906 B13R1.9 [13CH3]NCCSCc1ccc(cc1)Cl 7a_100000739548_200025704644 [0,1,0,0,0,0|3,0,0]=4 4907 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 2230a_100020610864_200025704644 [0,1,0,0,0,0|3,0,0]=4 4908 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 34a_100020610864_200025704644 [0,1,0,0,0,0|3,0,0]=4 4909 B13R1.9 [13CH3]NCCSCc1ccc(cc1)F 7a_100020610864_200025704644 [0,1,0,0,0,0|3,0,0]=4 4910 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 34a_100000756186_200025704644 [0,1,0,0,0,0|3,0,0]=4 4911 B13R1.9 [13CH3]OCCCOc1ccc(cc1)Br 7a_100000756186_200025704644 [0,1,0,0,0,0|3,0,0]=4 4912 B13R1.9 [13CH3]OCCCOc1ccc(cc1)N 34a_100000730458_200025704644 [0,1,0,0,0,0|3,0,0]=4 4913 B13R1.9 [13CH3]OCCNCc1ccc(cc1)Br 34a_100000186819_200025704644 [0,1,0,0,0,0|3,0,0]=4 4914 B13R1.9 [13CH3]OCCNCc1ccc(cc1)F 34a_100015183715_200025704644 [0,1,0,0,0,0|3,0,0]=4 4915 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 34a_200000186141_200025704644 [0,1,0,0,0,0|3,0,0]=4 4916 B13R1.9 [13CH3]OCCSCc1ccc(cc1)Cl 7a_200000186141_200025704644 [0,1,0,0,0,0|3,0,0]=4 4917 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200012094861_200025704644 [0,1,0,0,0,0|2,0,0]=3 4918 B13R1.9 [13CH3]SCCCCc1ccc(cc1)Br 62a_200025704644_200012094861 [0,1,0,0,0,0|2,0,0]=3 4919 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_100012093538_200025704644 [0,1,0,0,0,0|2,0,0]=3 4920 B13R1.9 [13CH3]SCCCCc1ccc(cc1)F 62a_200025704644_100012093538 [0,1,0,0,0,0|2,0,0]=3 4921 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_100011259224_200025704644 [0,1,0,0,0,0|3,0,0]=4 4922 B13R1.9 [13CH3]SCCCOc1ccc(cc1)Br 62a_200025704644_100011259224 [0,1,0,0,0,0|3,0,0]=4 4923 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_100000181347_200025704644 [0,1,0,0,0,0|3,0,0]=4 4924 B13R1.9 [13CH3]SCCCOc1ccc(cc1)F 62a_200025704644_100000181347 [0,1,0,0,0,0|3,0,0]=4 4925 B13R1.9 [O-][n+]1ccc(cc1)COCCCF 34a_100000031831_100011934791 [0,1,0,0,0,0|3,0,0]=4 4926 B13R1.9 [O-][n+]1ccc(cc1)COCCCF 7a_100000031831_100011934791 [0,1,0,0,0,0|3,0,0]=4 4927 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 34a_100000031831_100000230001 [0,1,0,0,0,0|2,0,0]=3 4928 B13R1.9 [O-][n+]1ccc(cc1)COCCCO 7a_100000031831_100011215043 [0,1,0,0,0,0|2,0,0]=3 4929 B13R1.9 [O-][n+]1ccc(cc1)SCCCCF 62a_100000729493_100000039755 [0,1,0,0,0,0|3,0,0]=4 4930 B13R1.9 [O-][n+]1ccc(cc1)SCCCCO 62a_100000210776_100000039755 [0,1,0,0,0,0|2,0,0]=3 4931 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [0,1,0,0,0,0|1,0,2]=4 4932 B13R1.24 C#CCCCN(C)c1ccccc1 2230a_100000210012_100000731252 [0,1,0,0,0,0|2,0,1]=4 4933 B13R1.24 C#CCCCN(C)c1ccccc1 269982a_100000210012_100011215417 [0,1,0,0,0,0|2,0,1]=4 4934 B13R1.24 C#CCCCN(C)c1ccccc1 34a_100000210012_100000695029 [0,1,0,0,0,0|2,0,1]=4 4935 B13R1.24 C#CCCNC(C)c1ccccc1 34a_100000755551_100000211855 [0,1,0,0,0,0|2,0,1]=4 4936 B13R1.24 C#CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000688953 [0,1,0,0,0,0|2,0,1]=4 4937 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,1,0,0,0,0|2,0,1]=4 4938 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,1,0,0,0,0|2,0,1]=4 4939 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,1,0,0,0,0|2,0,1]=4 4940 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000230085_100000688953 [0,1,0,0,0,0|2,0,1]=4 4941 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000688953_100000230085 [0,1,0,0,0,0|2,0,1]=4 4942 B13R1.24 C#CCNCC(C)c1ccccc1 2230a_100000701038_100000038162 [0,1,0,0,0,0|2,0,1]=4 4943 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000212058_100000756946 [0,1,0,0,0,0|2,0,1]=4 4944 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000701038_100000184674 [0,1,0,0,0,0|2,0,1]=4 4945 B13R1.24 C#CCNCC(O)c1ccccc1 2230a_100000210709_100000038162 [0,1,0,0,0,0|2,0,1]=4 4946 B13R1.24 C#CCNCC(O)c1ccccc1 34a_100000212058_100000185958 [0,1,0,0,0,0|2,0,1]=4 4947 B13R1.24 C#CCNC[C@@H](O)c1ccccc1 34a_100000212058_100011933945 [0,1,0,0,0,0|2,0,1]=4 4948 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100000210247_100000756946 [0,1,0,0,0,0|2,0,1]=4 4949 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100011215166_100000184674 [0,1,0,0,0,0|2,0,1]=4 4950 B13R1.24 C#CCOCC(C)c1ccccc1 7a_100011215166_100000038162 [0,1,0,0,0,0|2,0,1]=4 4951 B13R1.24 C#CCOCC(O)c1ccccc1 34a_100000210247_100000185958 [0,1,0,0,0,0|2,0,1]=4 4952 B13R1.24 C#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000184674 [0,1,0,0,0,0|2,0,1]=4 4953 B13R1.24 C#CCOC[C@@H](O)c1ccccc1 34a_100000210247_100011933945 [0,1,0,0,0,0|2,0,1]=4 4954 B13R1.24 C#CCSCC(C)c1ccccc1 62a_100000038162_100000756946 [0,1,0,0,0,0|2,0,1]=4 4955 B13R1.24 C#CCSCC(O)c1ccccc1 62a_100000038162_100000185958 [0,1,0,0,0,0|2,0,1]=4 4956 B13R1.24 C#CCSC[C@@H](O)c1ccccc1 62a_100000038162_100011933945 [0,1,0,0,0,0|2,0,1]=4 4957 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,1,0,0,0,0|1,0,2]=4 4958 B13R1.24 C=CCCCN(C)c1ccccc1 2230a_100000210012_100011713584 [0,1,0,0,0,0|2,0,1]=4 4959 B13R1.24 C=CCCCN(C)c1ccccc1 269982a_100000210012_100000757094 [0,1,0,0,0,0|2,0,1]=4 4960 B13R1.24 C=CCCCN(C)c1ccccc1 34a_100000210012_100000757094 [0,1,0,0,0,0|2,0,1]=4 4961 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,1,0,0,0,0|2,0,1]=4 4962 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,1,0,0,0,0|2,0,1]=4 4963 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,1,0,0,0,0|2,0,1]=4 4964 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,1,0,0,0,0|2,0,1]=4 4965 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,1,0,0,0,0|2,0,1]=4 4966 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,1,0,0,0,0|2,0,1]=4 4967 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,1,0,0,0,0|2,0,1]=4 4968 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,1,0,0,0,0|2,0,1]=4 4969 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100000701038_100000210623 [0,1,0,0,0,0|2,0,1]=4 4970 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100020586998_100000756946 [0,1,0,0,0,0|2,0,1]=4 4971 B13R1.24 C=CCNCC(C)c1ccccc1 270004a_100020586998_100000212034 [0,1,0,0,0,0|2,0,1]=4 4972 B13R1.24 C=CCNCC(C)c1ccccc1 34a_100000701038_100015514636 [0,1,0,0,0,0|2,0,1]=4 4973 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [0,1,0,0,0,0|2,0,1]=4 4974 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [0,1,0,0,0,0|2,0,1]=4 4975 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [0,1,0,0,0,0|2,0,1]=4 4976 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [0,1,0,0,0,0|2,0,1]=4 4977 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [0,1,0,0,0,0|2,0,1]=4 4978 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [0,1,0,0,0,0|2,0,1]=4 4979 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,1,0,0,0,0|2,0,1]=4 4980 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,1,0,0,0,0|2,0,1]=4 4981 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,1,0,0,0,0|2,0,1]=4 4982 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000210623_100000756946 [0,1,0,0,0,0|2,0,1]=4 4983 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000756946_100000210623 [0,1,0,0,0,0|2,0,1]=4 4984 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [0,1,0,0,0,0|2,0,1]=4 4985 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [0,1,0,0,0,0|2,0,1]=4 4986 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [0,1,0,0,0,0|2,0,1]=4 4987 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [0,1,0,0,0,0|2,0,1]=4 4988 B13R1.24 CC(=NNCCO)c1ccccc1 4a_100000210001_100000185851 [0,1,0,0,0,0|2,0,1]=4 4989 B13R1.24 CC(CNCC#N)c1ccccc1 2230a_100000701038_100011215382 [0,1,0,0,0,0|2,0,1]=4 4990 B13R1.24 CC(CNCC=O)c1ccccc1 2230a_100000701038_200015260668 [0,1,0,0,0,0|1,0,2]=4 4991 B13R1.24 CC(CNCC=O)c1ccccc1 34a_100000701038_200009817547 [0,1,0,0,0,0|1,0,2]=4 4992 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,1,0,0,0,0|2,0,0]=3 4993 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,1,0,0,0,0|2,0,0]=3 4994 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,1,0,0,0,0|2,0,0]=3 4995 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,1,0,0,0,0|1,0,0]=2 4996 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,1,0,0,0,0|1,0,0]=2 4997 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,1,0,0,0,0|1,0,0]=2 4998 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,1,0,0,0,0|1,0,0]=2 4999 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,1,0,0,0,0|1,0,0]=2 5000 B13R1.24 CC(COCC#N)c1ccccc1 7a_100011215166_100011215382 [0,1,0,0,0,0|2,0,1]=4 5001 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [0,1,0,0,0,0|1,0,2]=4 5002 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [0,1,0,0,0,0|1,0,2]=4 5003 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,1,0,0,0,0|2,0,0]=3 5004 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,1,0,0,0,0|2,0,0]=3 5005 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,1,0,0,0,0|2,0,0]=3 5006 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,1,0,0,0,0|2,0,0]=3 5007 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,1,0,0,0,0|1,0,0]=2 5008 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,1,0,0,0,0|1,0,0]=2 5009 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100000756946_100011215382 [0,1,0,0,0,0|2,0,1]=4 5010 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100011215382_100000756946 [0,1,0,0,0,0|2,0,1]=4 5011 B13R1.24 CC(CSCC=O)c1ccccc1 62a_100000756946_200015260668 [0,1,0,0,0,0|1,0,2]=4 5012 B13R1.24 CC(CSCC=O)c1ccccc1 62a_200015260668_100000756946 [0,1,0,0,0,0|1,0,2]=4 5013 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,1,0,0,0,0|2,0,0]=3 5014 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,1,0,0,0,0|2,0,0]=3 5015 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,1,0,0,0,0|1,0,0]=2 5016 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,1,0,0,0,0|1,0,0]=2 5017 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,1,0,0,0,0|2,0,0]=3 5018 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,1,0,0,0,0|2,0,0]=3 5019 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,1,0,0,0,0|2,0,0]=3 5020 B13R1.24 CC(NCCCF)c1ccccn1 2230a_100000181244_100011934791 [0,1,0,0,0,0|3,0,0]=4 5021 B13R1.24 CC(NCCCF)c1ccccn1 269862a_100015189416_100000210467 [0,1,0,0,0,0|3,0,0]=4 5022 B13R1.24 CC(NCCCF)c1cccnc1 2230a_100000195435_100011934791 [0,1,0,0,0,0|3,0,0]=4 5023 B13R1.24 CC(NCCCF)c1cccnc1 269862a_100015189416_100000210468 [0,1,0,0,0,0|3,0,0]=4 5024 B13R1.24 CC(NCCCF)c1ccncc1 2230a_100000181269_100011934791 [0,1,0,0,0,0|3,0,0]=4 5025 B13R1.24 CC(NCCCF)c1ccncc1 269862a_100015189416_100000185792 [0,1,0,0,0,0|3,0,0]=4 5026 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,1,0,0,0,0|1,0,0]=2 5027 B13R1.24 CC(NCCCO)c1ccccn1 2230a_100000181244_100000230001 [0,1,0,0,0,0|2,0,0]=3 5028 B13R1.24 CC(NCCCO)c1ccccn1 269862a_100000182051_100000210467 [0,1,0,0,0,0|2,0,0]=3 5029 B13R1.24 CC(NCCCO)c1cccnc1 2230a_100000195435_100000230001 [0,1,0,0,0,0|2,0,0]=3 5030 B13R1.24 CC(NCCCO)c1cccnc1 269862a_100000182051_100000210468 [0,1,0,0,0,0|2,0,0]=3 5031 B13R1.24 CC(NCCCO)c1cccnn1 269862a_100000182051_100009866853 [0,1,0,0,0,0|3,0,0]=4 5032 B13R1.24 CC(NCCCO)c1ccncc1 2230a_100000181269_100000230001 [0,1,0,0,0,0|2,0,0]=3 5033 B13R1.24 CC(NCCCO)c1ccncc1 269862a_100000182051_100000185792 [0,1,0,0,0,0|2,0,0]=3 5034 B13R1.24 CC(NCCCO)c1ccnnc1 269862a_100000182051_100012182992 [0,1,0,0,0,0|3,0,0]=4 5035 B13R1.24 CC(NCCCO)c1cnccn1 269862a_100000182051_100000751083 [0,1,0,0,0,0|3,0,0]=4 5036 B13R1.24 CC(NCCCO)c1cncnc1 269862a_100000182051_100000757475 [0,1,0,0,0,0|3,0,0]=4 5037 B13R1.24 CC(NCCCO)c1ncccn1 2230a_100020641698_100000230001 [0,1,0,0,0,0|3,0,0]=4 5038 B13R1.24 CC(NCCCO)c1ncccn1 270004a_100000182051_100011350828 [0,1,0,0,0,0|3,0,0]=4 5039 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,1,0,0,0,0|2,0,0]=3 5040 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,1,0,0,0,0|2,0,0]=3 5041 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,1,0,0,0,0|2,0,0]=3 5042 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,1,0,0,0,0|2,0,0]=3 5043 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,1,0,0,0,0|3,0,0]=4 5044 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100000230085_100011215226 [0,1,0,0,0,0|2,0,1]=4 5045 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100011215226_100000230085 [0,1,0,0,0,0|2,0,1]=4 5046 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,1,0,0,0,0|2,0,0]=3 5047 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,1,0,0,0,0|2,0,0]=3 5048 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,1,0,0,0,0|1,0,0]=2 5049 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,1,0,0,0,0|1,0,0]=2 5050 B13R1.24 CC(SCCCO)c1cnccn1 62a_100011215043_200000703233 [0,1,0,0,0,0|3,0,0]=4 5051 B13R1.24 CC(SCCCO)c1cnccn1 62a_200000703233_100011215043 [0,1,0,0,0,0|3,0,0]=4 5052 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,1,0,0,0,0|1,0,1]=3 5053 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,1,0,0,0,0|2,0,0]=3 5054 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,1,0,0,0,0|2,0,0]=3 5055 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,1,0,0,0,0|2,0,0]=3 5056 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,1,0,0,0,0|2,0,0]=3 5057 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,1,0,0,0,0|2,0,0]=3 5058 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,1,0,0,0,0|2,0,0]=3 5059 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,1,0,0,0,0|2,0,0]=3 5060 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,1,0,0,0,0|2,0,0]=3 5061 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,1,0,0,0,0|2,0,0]=3 5062 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,1,0,0,0,0|2,0,0]=3 5063 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,1,0,0,0,0|2,0,0]=3 5064 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,1,0,0,0,0|2,0,1]=4 5065 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,1,0,0,0,0|2,0,1]=4 5066 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,1,0,0,0,0|2,0,1]=4 5067 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,1,0,0,0,0|2,0,1]=4 5068 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,1,0,0,0,0|2,0,0]=3 5069 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,1,0,0,0,0|2,0,0]=3 5070 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,1,0,0,0,0|2,0,0]=3 5071 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,1,0,0,0,0|3,0,0]=4 5072 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,1,0,0,0,0|3,0,0]=4 5073 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,1,0,0,0,0|3,0,0]=4 5074 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,1,0,0,0,0|3,0,0]=4 5075 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,1,0,0,0,0|3,0,0]=4 5076 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,1,0,0,0,0|3,0,0]=4 5077 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,1,0,0,0,0|2,0,0]=3 5078 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,1,0,0,0,0|2,0,0]=3 5079 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,1,0,0,0,0|2,0,0]=3 5080 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,1,0,0,0,0|2,0,0]=3 5081 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,1,0,0,0,0|2,0,0]=3 5082 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,1,0,0,0,0|2,0,0]=3 5083 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,1,0,0,0,0|2,0,0]=3 5084 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,1,0,0,0,0|2,0,0]=3 5085 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,1,0,0,0,0|2,0,0]=3 5086 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,1,0,0,0,0|2,0,0]=3 5087 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,1,0,0,0,0|2,0,0]=3 5088 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,1,0,0,0,0|3,0,0]=4 5089 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,1,0,0,0,0|3,0,0]=4 5090 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,1,0,0,0,0|2,0,0]=3 5091 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,1,0,0,0,0|2,0,0]=3 5092 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,1,0,0,0,0|2,0,0]=3 5093 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,1,0,0,0,0|2,0,0]=3 5094 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,1,0,0,0,0|2,0,0]=3 5095 B13R1.24 CCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210303 [0,1,0,0,0,0|3,0,0]=4 5096 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,1,0,0,0,0|2,0,0]=3 5097 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,1,0,0,0,0|2,0,1]=4 5098 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,1,0,0,0,0|2,0,1]=4 5099 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,1,0,0,0,0|2,0,0]=3 5100 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,1,0,0,0,0|2,0,0]=3 5101 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,1,0,0,0,0|2,0,0]=3 5102 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,1,0,0,0,0|2,0,0]=3 5103 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,1,0,0,0,0|3,0,0]=4 5104 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,1,0,0,0,0|2,0,0]=3 5105 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,1,0,0,0,0|2,0,0]=3 5106 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,1,0,0,0,0|2,0,1]=4 5107 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,1,0,0,0,0|2,0,0]=3 5108 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,1,0,0,0,0|2,0,0]=3 5109 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,1,0,0,0,0|3,0,0]=4 5110 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,1,0,0,0,0|2,0,0]=3 5111 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,1,0,0,0,0|2,0,1]=4 5112 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,1,0,0,0,0|3,0,0]=4 5113 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,1,0,0,0,0|3,0,0]=4 5114 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,1,0,0,0,0|3,0,0]=4 5115 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,1,0,0,0,0|2,0,0]=3 5116 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,1,0,0,0,0|2,0,0]=3 5117 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,1,0,0,0,0|3,0,0]=4 5118 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,1,0,0,0,0|3,0,0]=4 5119 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,1,0,0,0,0|2,0,1]=4 5120 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,1,0,0,0,0|2,0,1]=4 5121 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,1,0,0,0,0|2,0,1]=4 5122 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [0,1,0,0,0,0|3,0,0]=4 5123 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [0,1,0,0,0,0|3,0,0]=4 5124 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [0,1,0,0,0,0|3,0,0]=4 5125 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,1,0,0,0,0|3,0,0]=4 5126 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,1,0,0,0,0|2,0,0]=3 5127 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,1,0,0,0,0|2,0,0]=3 5128 B13R1.24 CN(CC#CCO)c1ccccc1 2230a_100000210012_200000047223 [0,1,0,0,0,0|1,0,2]=4 5129 B13R1.24 CN(CC#CCO)c1ccccc1 34a_100000210012_200000047223 [0,1,0,0,0,0|1,0,2]=4 5130 B13R1.24 CN(CCCC#N)c1ccccc1 2230a_100000210012_100000687738 [0,1,0,0,0,0|2,0,1]=4 5131 B13R1.24 CN(CCCC#N)c1ccccc1 269982a_100000210012_100000687738 [0,1,0,0,0,0|2,0,1]=4 5132 B13R1.24 CN(CCCC=O)c1ccccc1 2230a_100000210012_200011292268 [0,1,0,0,0,0|1,0,2]=4 5133 B13R1.24 CN(CCCC=O)c1ccccc1 269982a_100000210012_200011292268 [0,1,0,0,0,0|1,0,2]=4 5134 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,1,0,0,0,0|2,0,0]=3 5135 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,1,0,0,0,0|2,0,0]=3 5136 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,1,0,0,0,0|2,0,0]=3 5137 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,1,0,0,0,0|1,0,0]=2 5138 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,1,0,0,0,0|1,0,0]=2 5139 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,1,0,0,0,0|1,0,0]=2 5140 B13R1.24 CN(CCCCO)c1cccnn1 27a_100000717598_100016991348 [0,1,0,0,0,0|3,0,0]=4 5141 B13R1.24 CN(CCCCO)c1ccncn1 27a_100000717598_100000703185 [0,1,0,0,0,0|3,0,0]=4 5142 B13R1.24 CN(CCCCO)c1cnccn1 27a_100000717598_100000211759 [0,1,0,0,0,0|3,0,0]=4 5143 B13R1.24 CN(CCCCO)c1ncccn1 27a_100000717598_100000211032 [0,1,0,0,0,0|3,0,0]=4 5144 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,1,0,0,0,0|2,0,1]=4 5145 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,1,0,0,0,0|2,0,1]=4 5146 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,1,0,0,0,0|2,0,1]=4 5147 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,1,0,0,0,0|2,0,0]=3 5148 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [0,1,0,0,0,0|3,0,0]=4 5149 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [0,1,0,0,0,0|3,0,0]=4 5150 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [0,1,0,0,0,0|3,0,0]=4 5151 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,1,0,0,0,0|3,0,0]=4 5152 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,1,0,0,0,0|3,0,0]=4 5153 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,1,0,0,0,0|3,0,0]=4 5154 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,1,0,0,0,0|3,0,0]=4 5155 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,1,0,0,0,0|3,0,0]=4 5156 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,1,0,0,0,0|3,0,0]=4 5157 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,1,0,0,0,0|3,0,0]=4 5158 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,1,0,0,0,0|3,0,0]=4 5159 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [0,1,0,0,0,0|3,0,0]=4 5160 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,1,0,0,0,0|3,0,0]=4 5161 B13R1.24 COCSCC(C)c1ccccc1 62a_100000756946_100000766300 [0,1,0,0,0,0|3,0,0]=4 5162 B13R1.24 COCSCC(C)c1ccccc1 62a_100000766300_100000756946 [0,1,0,0,0,0|3,0,0]=4 5163 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,1,0,0,0,0|3,0,0]=4 5164 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,1,0,0,0,0|3,0,0]=4 5165 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,1,0,0,0,0|3,0,0]=4 5166 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,1,0,0,0,0|3,0,0]=4 5167 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,1,0,0,0,0|2,0,1]=4 5168 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,1,0,0,0,0|2,0,1]=4 5169 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,1,0,0,0,0|3,0,0]=4 5170 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,1,0,0,0,0|3,0,0]=4 5171 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,1,0,0,0,0|3,0,0]=4 5172 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,1,0,0,0,0|3,0,0]=4 5173 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,1,0,0,0,0|3,0,0]=4 5174 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,1,0,0,0,0|3,0,0]=4 5175 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,1,0,0,0,0|3,0,0]=4 5176 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,1,0,0,0,0|3,0,0]=4 5177 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,1,0,0,0,0|3,0,0]=4 5178 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [0,1,0,0,0,0|3,0,0]=4 5179 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [0,1,0,0,0,0|3,0,0]=4 5180 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,1,0,0,0,0|3,0,0]=4 5181 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,1,0,0,0,0|3,0,0]=4 5182 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,1,0,0,0,0|3,0,0]=4 5183 B13R1.24 CSCSCC(C)c1ccccc1 62a_100000756946_100011218213 [0,1,0,0,0,0|3,0,0]=4 5184 B13R1.24 CSCSCC(C)c1ccccc1 62a_100011218213_100000756946 [0,1,0,0,0,0|3,0,0]=4 5185 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,1,0,0,0,0|3,0,0]=4 5186 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,1,0,0,0,0|3,0,0]=4 5187 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,1,0,0,0,0|3,0,0]=4 5188 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,1,0,0,0,0|3,0,0]=4 5189 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 2230a_100000751104_100011215226 [0,1,0,0,0,0|2,0,1]=4 5190 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,1,0,0,0,0|2,0,0]=3 5191 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,1,0,0,0,0|1,0,0]=2 5192 B13R1.24 C[C@@H](NCCCO)c1cnccn1 2230a_100020589798_100000230001 [0,1,0,0,0,0|3,0,0]=4 5193 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,1,0,0,0,0|2,0,1]=4 5194 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,1,0,0,0,0|2,0,0]=3 5195 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,1,0,0,0,0|2,0,0]=3 5196 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,1,0,0,0,0|1,0,0]=2 5197 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,1,0,0,0,0|1,0,0]=2 5198 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,1,0,0,0,0|1,0,2]=4 5199 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [0,1,0,0,0,0|2,0,1]=4 5200 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100000185958_100011215382 [0,1,0,0,0,0|2,0,1]=4 5201 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100011215382_100000185958 [0,1,0,0,0,0|2,0,1]=4 5202 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011215382_100011933945 [0,1,0,0,0,0|2,0,1]=4 5203 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215382 [0,1,0,0,0,0|2,0,1]=4 5204 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,1,0,0,0,0|2,0,0]=3 5205 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,1,0,0,0,0|2,0,0]=3 5206 B13R1.24 N[C@@H](CCOCF)c1ccccc1 34a_100025705951_100015361967 [0,1,0,0,0,0|2,0,0]=3 5207 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,1,0,0,0,0|1,0,2]=4 5208 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,1,0,0,0,0|2,0,0]=3 5209 B13R1.24 N[C@H](COCCF)c1ccncc1 34a_100138412524_100011217306 [0,1,0,0,0,0|3,0,0]=4 5210 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,1,0,0,0,0|1,0,0]=2 5211 B13R1.24 N[C@H](COCCO)c1ccncc1 34a_100138412524_100000211926 [0,1,0,0,0,0|2,0,0]=3 5212 B13R1.24 O=C(CC#CCO)c1ccccc1 1458a_100000185807_200000047223 [0,1,0,0,0,0|0,0,3]=4 5213 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,1,0,0,0,0|1,0,1]=3 5214 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,1,0,0,0,0|0,0,1]=2 5215 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [0,1,0,0,0,0|2,0,1]=4 5216 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [0,1,0,0,0,0|2,0,1]=4 5217 B13R1.24 O=C(CNCCO)c1ccccn1 34a_100016990907_100000027445 [0,1,0,0,0,0|2,0,1]=4 5218 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [0,1,0,0,0,0|2,0,1]=4 5219 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [0,1,0,0,0,0|2,0,1]=4 5220 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [0,1,0,0,0,0|1,0,1]=3 5221 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [0,1,0,0,0,0|1,0,1]=3 5222 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000027445_100000211926 [0,1,0,0,0,0|2,0,1]=4 5223 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000211926_100000027445 [0,1,0,0,0,0|2,0,1]=4 5224 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000211926_100000757877 [0,1,0,0,0,0|2,0,1]=4 5225 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000757877_100000211926 [0,1,0,0,0,0|2,0,1]=4 5226 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000027454_100000211926 [0,1,0,0,0,0|2,0,1]=4 5227 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000211926_100000027454 [0,1,0,0,0,0|2,0,1]=4 5228 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,1,0,0,0,0|2,0,1]=4 5229 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,1,0,0,0,0|2,0,1]=4 5230 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,1,0,0,0,0|2,0,1]=4 5231 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,1,0,0,0,0|2,0,1]=4 5232 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,1,0,0,0,0|1,0,1]=3 5233 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,1,0,0,0,0|1,0,1]=3 5234 B13R1.24 O=C(NNCCO)c1ccccc1 22a_100000210001_100000185807 [0,1,0,0,0,0|2,0,1]=4 5235 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [0,1,0,0,0,0|1,0,2]=4 5236 B13R1.24 O=CCSCC(O)c1ccccc1 62a_100000185958_200015260668 [0,1,0,0,0,0|1,0,2]=4 5237 B13R1.24 O=CCSCC(O)c1ccccc1 62a_200015260668_100000185958 [0,1,0,0,0,0|1,0,2]=4 5238 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_100011933945_200015260668 [0,1,0,0,0,0|1,0,2]=4 5239 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_200015260668_100011933945 [0,1,0,0,0,0|1,0,2]=4 5240 B13R1.24 O=S(CCSCF)c1ccccc1 62a_100015361967_100000740319 [0,1,0,0,0,0|3,0,0]=4 5241 B13R1.24 O=S(CSCCF)c1ccccc1 62a_100011217306_100000031784 [0,1,0,0,0,0|3,0,0]=4 5242 B13R1.24 O=S(CSCCO)c1ccccc1 62a_100000211926_100000031784 [0,1,0,0,0,0|2,0,0]=3 5243 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,1,0,0,0,0|2,0,0]=3 5244 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,1,0,0,0,0|2,0,0]=3 5245 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [0,1,0,0,0,0|3,0,0]=4 5246 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [0,1,0,0,0,0|3,0,0]=4 5247 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,1,0,0,0,0|2,0,0]=3 5248 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,1,0,0,0,0|2,0,0]=3 5249 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,1,0,0,0,0|2,0,0]=3 5250 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,1,0,0,0,0|1,0,0]=2 5251 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,1,0,0,0,0|1,0,0]=2 5252 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,1,0,0,0,0|1,0,0]=2 5253 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [0,1,0,0,0,0|2,0,0]=3 5254 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [0,1,0,0,0,0|2,0,0]=3 5255 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,1,0,0,0,0|1,0,0]=2 5256 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,1,0,0,0,0|1,0,0]=2 5257 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,1,0,0,0,0|1,0,0]=2 5258 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,1,0,0,0,0|1,0,0]=2 5259 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,1,0,0,0,0|1,0,0]=2 5260 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,1,0,0,0,0|1,0,0]=2 5261 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,1,0,0,0,0|2,0,0]=3 5262 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,1,0,0,0,0|2,0,0]=3 5263 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,1,0,0,0,0|2,0,0]=3 5264 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,1,0,0,0,0|2,0,0]=3 5265 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,1,0,0,0,0|2,0,0]=3 5266 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,1,0,0,0,0|2,0,0]=3 5267 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,1,0,0,0,0|2,0,0]=3 5268 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,1,0,0,0,0|2,0,1]=4 5269 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,1,0,0,0,0|2,0,1]=4 5270 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [0,1,0,0,0,0|1,0,0]=2 5271 B13R1.28 BrCCCCOCc1ccccn1 34a_100011216708_100000721315 [0,1,0,0,0,0|2,0,0]=3 5272 B13R1.28 BrCCCCOCc1cccnc1 34a_100011216708_100000733263 [0,1,0,0,0,0|2,0,0]=3 5273 B13R1.28 BrCCCCOCc1cccnn1 34a_100011216708_100016990269 [0,1,0,0,0,0|3,0,0]=4 5274 B13R1.28 BrCCCCOCc1cnccn1 34a_100011216708_100016995436 [0,1,0,0,0,0|3,0,0]=4 5275 B13R1.28 BrCCCCOCc1cncnc1 34a_100011216708_100015196519 [0,1,0,0,0,0|3,0,0]=4 5276 B13R1.28 BrCCCCOCc1ncccn1 34a_100011216708_100000703007 [0,1,0,0,0,0|3,0,0]=4 5277 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [0,1,0,0,0,0|1,0,0]=2 5278 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [0,1,0,0,0,0|1,0,2]=4 5279 B13R1.28 BrCCOCC#Cc1ccccc1 34a_100000211926_100011352542 [0,1,0,0,0,0|1,0,2]=4 5280 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,1,0,0,0,0|1,0,0]=2 5281 B13R1.28 BrCCOCCOc1ccccc1 34a_100000211926_100000184471 [0,1,0,0,0,0|2,0,0]=3 5282 B13R1.28 BrCCOCCSc1ccccc1 34a_100000211926_100000246102 [0,1,0,0,0,0|2,0,0]=3 5283 B13R1.28 BrCCOCOCc1ccccc1 34a_100000211926_100000763385 [0,1,0,0,0,0|2,0,0]=3 5284 B13R1.28 BrCCOCSCc1ccccc1 34a_100000211926_200011217039 [0,1,0,0,0,0|2,0,0]=3 5285 B13R1.28 C#CCCCCNc1ccccc1 34a_100000106764_100010269958 [0,1,0,0,0,0|1,0,1]=3 5286 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [0,1,0,0,0,0|1,0,1]=3 5287 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [0,1,0,0,0,0|1,0,1]=3 5288 B13R1.28 C#CCCCCOc1cccnc1 34a_100000210849_100010269958 [0,1,0,0,0,0|2,0,1]=4 5289 B13R1.28 C#CCCCCOc1cccnc1 7a_100000210849_100010269958 [0,1,0,0,0,0|2,0,1]=4 5290 B13R1.28 C#CCCCCOc1ccncc1 34a_100000212176_100010269958 [0,1,0,0,0,0|2,0,1]=4 5291 B13R1.28 C#CCCCCSc1ccccc1 62a_100000719477_100010269958 [0,1,0,0,0,0|1,0,1]=3 5292 B13R1.28 C#CCCCCSc1ccccc1 62a_100010269958_100000041952 [0,1,0,0,0,0|1,0,1]=3 5293 B13R1.28 C#CCCCCSc1ccccn1 62a_100010269958_100011216584 [0,1,0,0,0,0|2,0,1]=4 5294 B13R1.28 C#CCCCCSc1ccccn1 62a_100011216584_100010269958 [0,1,0,0,0,0|2,0,1]=4 5295 B13R1.28 C#CCCCCSc1cccnc1 62a_100000210063_100010269958 [0,1,0,0,0,0|2,0,1]=4 5296 B13R1.28 C#CCCCCSc1cccnc1 62a_100010269958_100000210063 [0,1,0,0,0,0|2,0,1]=4 5297 B13R1.28 C#CCCCCSc1ccncc1 62a_100000728582_100010269958 [0,1,0,0,0,0|2,0,1]=4 5298 B13R1.28 C#CCCCCSc1ccncc1 62a_100010269958_100000728582 [0,1,0,0,0,0|2,0,1]=4 5299 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [0,1,0,0,0,0|1,0,1]=3 5300 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [0,1,0,0,0,0|1,0,1]=3 5301 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [0,1,0,0,0,0|1,0,1]=3 5302 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [0,1,0,0,0,0|1,0,1]=3 5303 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [0,1,0,0,0,0|1,0,1]=3 5304 B13R1.28 C#CCCCNCc1ccccn1 207a_100000718082_100000209966 [0,1,0,0,0,0|2,0,1]=4 5305 B13R1.28 C#CCCCNCc1ccccn1 270004a_100000718082_100000209966 [0,1,0,0,0,0|2,0,1]=4 5306 B13R1.28 C#CCCCNCc1ccccn1 34a_100000718082_100000721315 [0,1,0,0,0,0|2,0,1]=4 5307 B13R1.28 C#CCCCNCc1cccnc1 207a_100000718082_100000209961 [0,1,0,0,0,0|2,0,1]=4 5308 B13R1.28 C#CCCCNCc1cccnc1 270004a_100000718082_100000209961 [0,1,0,0,0,0|2,0,1]=4 5309 B13R1.28 C#CCCCNCc1cccnc1 34a_100000718082_100000733263 [0,1,0,0,0,0|2,0,1]=4 5310 B13R1.28 C#CCCCNCc1ccncc1 207a_100000718082_100000186114 [0,1,0,0,0,0|2,0,1]=4 5311 B13R1.28 C#CCCCOCc1ccccc1 34a_100000210790_100000695029 [0,1,0,0,0,0|1,0,1]=3 5312 B13R1.28 C#CCCCOCc1ccccc1 34a_100000215630_100015291786 [0,1,0,0,0,0|1,0,1]=3 5313 B13R1.28 C#CCCCOCc1ccccc1 7a_100000210790_100011215417 [0,1,0,0,0,0|1,0,1]=3 5314 B13R1.28 C#CCCCOCc1ccccc1 7a_100000215630_100000211182 [0,1,0,0,0,0|1,0,1]=3 5315 B13R1.28 C#CCCCOCc1ccccn1 34a_100000215630_100000721315 [0,1,0,0,0,0|2,0,1]=4 5316 B13R1.28 C#CCCCOCc1ccccn1 7a_100000215630_100000721315 [0,1,0,0,0,0|2,0,1]=4 5317 B13R1.28 C#CCCCOCc1cccnc1 34a_100000215630_100000733263 [0,1,0,0,0,0|2,0,1]=4 5318 B13R1.28 C#CCCCOCc1cccnc1 7a_100000215630_100000741622 [0,1,0,0,0,0|2,0,1]=4 5319 B13R1.28 C#CCCCOCc1ccncc1 7a_100000215630_100015193705 [0,1,0,0,0,0|2,0,1]=4 5320 B13R1.28 C#CCCCSCc1ccccc1 62a_100000211182_100011215417 [0,1,0,0,0,0|1,0,1]=3 5321 B13R1.28 C#CCCCSCc1ccccc1 62a_100011215417_100015291786 [0,1,0,0,0,0|1,0,1]=3 5322 B13R1.28 C#CCCCSCc1ccccn1 62a_100000721315_100011215417 [0,1,0,0,0,0|2,0,1]=4 5323 B13R1.28 C#CCCCSCc1ccccn1 62a_100011215417_100000721315 [0,1,0,0,0,0|2,0,1]=4 5324 B13R1.28 C#CCCCSCc1cccnc1 62a_100000741622_100011215417 [0,1,0,0,0,0|2,0,1]=4 5325 B13R1.28 C#CCCCSCc1cccnc1 62a_100011215417_100000741622 [0,1,0,0,0,0|2,0,1]=4 5326 B13R1.28 C#CCCCSCc1ccncc1 62a_100011215417_100015193705 [0,1,0,0,0,0|2,0,1]=4 5327 B13R1.28 C#CCCCSCc1ccncc1 62a_100015193705_100011215417 [0,1,0,0,0,0|2,0,1]=4 5328 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [0,1,0,0,0,0|1,0,1]=3 5329 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [0,1,0,0,0,0|1,0,1]=3 5330 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [0,1,0,0,0,0|1,0,1]=3 5331 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [0,1,0,0,0,0|2,0,1]=4 5332 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [0,1,0,0,0,0|1,0,1]=3 5333 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [0,1,0,0,0,0|1,0,1]=3 5334 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [0,1,0,0,0,0|1,0,1]=3 5335 B13R1.28 C#CCCOCCc1ccccn1 34a_100000210271_100000688953 [0,1,0,0,0,0|2,0,1]=4 5336 B13R1.28 C#CCCOCCc1cccnc1 34a_100011217484_100000688953 [0,1,0,0,0,0|2,0,1]=4 5337 B13R1.28 C#CCCOCCc1ccncc1 34a_100011216225_100000688953 [0,1,0,0,0,0|2,0,1]=4 5338 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [0,1,0,0,0,0|1,0,1]=3 5339 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [0,1,0,0,0,0|1,0,1]=3 5340 B13R1.28 C#CCCSCCc1ccccn1 62a_100000688953_100015183660 [0,1,0,0,0,0|2,0,1]=4 5341 B13R1.28 C#CCCSCCc1ccccn1 62a_100015183660_100000688953 [0,1,0,0,0,0|2,0,1]=4 5342 B13R1.28 C#CCCSCCc1cccnc1 62a_100000688953_200011713674 [0,1,0,0,0,0|2,0,1]=4 5343 B13R1.28 C#CCCSCCc1cccnc1 62a_200011713674_100000688953 [0,1,0,0,0,0|2,0,1]=4 5344 B13R1.28 C#CCCSCCc1ccncc1 62a_100000688953_100000723409 [0,1,0,0,0,0|2,0,1]=4 5345 B13R1.28 C#CCCSCCc1ccncc1 62a_100000723409_100000688953 [0,1,0,0,0,0|2,0,1]=4 5346 B13R1.28 C#CCCSCSc1ccccc1 62a_100000688953_100011218342 [0,1,0,0,0,0|2,0,1]=4 5347 B13R1.28 C#CCCSCSc1ccccc1 62a_100011218342_100000688953 [0,1,0,0,0,0|2,0,1]=4 5348 B13R1.28 C#CCNCCCc1ccccc1 2230a_100000211184_100000038162 [0,1,0,0,0,0|1,0,1]=3 5349 B13R1.28 C#CCNCCCc1ccccc1 34a_100000211184_100000184674 [0,1,0,0,0,0|1,0,1]=3 5350 B13R1.28 C#CCNCCCc1ccccc1 34a_100000212058_100000211621 [0,1,0,0,0,0|1,0,1]=3 5351 B13R1.28 C#CCNCCCc1cccnc1 2230a_100011532358_100000038162 [0,1,0,0,0,0|2,0,1]=4 5352 B13R1.28 C#CCNCCCc1cccnc1 34a_100011532358_100000184674 [0,1,0,0,0,0|2,0,1]=4 5353 B13R1.28 C#CCNCCCc1ccncc1 2230a_100011275580_100000038162 [0,1,0,0,0,0|2,0,1]=4 5354 B13R1.28 C#CCNCCOc1ccccc1 2230a_100000174943_100000038162 [0,1,0,0,0,0|2,0,1]=4 5355 B13R1.28 C#CCNCCOc1ccccc1 34a_100000174943_100000184674 [0,1,0,0,0,0|2,0,1]=4 5356 B13R1.28 C#CCNCCOc1ccccc1 34a_100000212058_100000184471 [0,1,0,0,0,0|2,0,1]=4 5357 B13R1.28 C#CCNCCSc1ccccc1 2230a_100000189519_100000038162 [0,1,0,0,0,0|2,0,1]=4 5358 B13R1.28 C#CCNCCSc1ccccc1 34a_100000212058_100000246102 [0,1,0,0,0,0|2,0,1]=4 5359 B13R1.28 C#CCNCOCc1ccccc1 34a_100000212058_100000763385 [0,1,0,0,0,0|2,0,1]=4 5360 B13R1.28 C#CCNCSCc1ccccc1 34a_100000212058_200011217039 [0,1,0,0,0,0|2,0,1]=4 5361 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [0,1,0,0,0,0|1,0,1]=3 5362 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [0,1,0,0,0,0|1,0,1]=3 5363 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [0,1,0,0,0,0|1,0,1]=3 5364 B13R1.28 C#CCOCCCc1ccccn1 34a_100011215068_100000184674 [0,1,0,0,0,0|2,0,1]=4 5365 B13R1.28 C#CCOCCCc1cccnc1 34a_100000211284_100000184674 [0,1,0,0,0,0|2,0,1]=4 5366 B13R1.28 C#CCOCCCc1ccncc1 34a_100000210659_100000184674 [0,1,0,0,0,0|2,0,1]=4 5367 B13R1.28 C#CCOCCNc1ccccc1 34a_100000106764_100010402529 [0,1,0,0,0,0|2,0,1]=4 5368 B13R1.28 C#CCOCCNc1ccccc1 34a_100000211345_100000184674 [0,1,0,0,0,0|2,0,1]=4 5369 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210247_100000184471 [0,1,0,0,0,0|2,0,1]=4 5370 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210260_100000184674 [0,1,0,0,0,0|2,0,1]=4 5371 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210340_100010402529 [0,1,0,0,0,0|2,0,1]=4 5372 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210260_100000038162 [0,1,0,0,0,0|2,0,1]=4 5373 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210340_100010402529 [0,1,0,0,0,0|2,0,1]=4 5374 B13R1.28 C#CCOCCSc1ccccc1 34a_100000210247_100000246102 [0,1,0,0,0,0|2,0,1]=4 5375 B13R1.28 C#CCOCCSc1ccccc1 62a_100000719477_100010402529 [0,1,0,0,0,0|2,0,1]=4 5376 B13R1.28 C#CCOCCSc1ccccc1 62a_100010402529_100000041952 [0,1,0,0,0,0|2,0,1]=4 5377 B13R1.28 C#CCOCCSc1ccccc1 7a_100000230494_100000038162 [0,1,0,0,0,0|2,0,1]=4 5378 B13R1.28 C#CCOCOCc1ccccc1 34a_100000210247_100000763385 [0,1,0,0,0,0|2,0,1]=4 5379 B13R1.28 C#CCOCSCc1ccccc1 34a_100000210247_200011217039 [0,1,0,0,0,0|2,0,1]=4 5380 B13R1.28 C#CCSCCCc1ccccc1 62a_100000038162_100000211621 [0,1,0,0,0,0|1,0,1]=3 5381 B13R1.28 C#CCSCCOc1ccccc1 62a_100000038162_100000184471 [0,1,0,0,0,0|2,0,1]=4 5382 B13R1.28 C#CCSCCSc1ccccc1 62a_100000038162_100000246102 [0,1,0,0,0,0|2,0,1]=4 5383 B13R1.28 C#CCSCOCc1ccccc1 62a_100000038162_100000763385 [0,1,0,0,0,0|2,0,1]=4 5384 B13R1.28 C#CCSCSCc1ccccc1 62a_100000038162_200011217039 [0,1,0,0,0,0|2,0,1]=4 5385 B13R1.28 C/C=C/CCOCc1ccccc1 34a_100016278192_100015291786 [0,1,0,0,0,0|1,0,2]=4 5386 B13R1.28 C/C=C/CNCCc1ccccc1 34a_100000106460_100102629194 [0,1,0,0,0,0|1,0,2]=4 5387 B13R1.28 C/C=C/COCCc1ccccc1 34a_100000210268_100102629194 [0,1,0,0,0,0|1,0,2]=4 5388 B13R1.28 C/C=C/COCCc1ccccc1 34a_100016270725_100000765856 [0,1,0,0,0,0|1,0,2]=4 5389 B13R1.28 C/C=C/COCCc1ccccc1 7a_100000210268_100102629194 [0,1,0,0,0,0|1,0,2]=4 5390 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100000765856_100102629194 [0,1,0,0,0,0|1,0,2]=4 5391 B13R1.28 C/C=C/CSCCc1ccccc1 62a_100102629194_100011218657 [0,1,0,0,0,0|1,0,2]=4 5392 B13R1.28 C=CCCCCNc1ccccc1 34a_100000106764_100011215482 [0,1,0,0,0,0|1,0,1]=3 5393 B13R1.28 C=CCCCCOc1ccccc1 34a_100000210340_100011215482 [0,1,0,0,0,0|1,0,1]=3 5394 B13R1.28 C=CCCCCOc1ccccc1 7a_100000210340_100011215482 [0,1,0,0,0,0|1,0,1]=3 5395 B13R1.28 C=CCCCCOc1cccnc1 34a_100000210849_100011215482 [0,1,0,0,0,0|2,0,1]=4 5396 B13R1.28 C=CCCCCOc1cccnc1 7a_100000210849_100011215482 [0,1,0,0,0,0|2,0,1]=4 5397 B13R1.28 C=CCCCCOc1ccncc1 34a_100000212176_100011215482 [0,1,0,0,0,0|2,0,1]=4 5398 B13R1.28 C=CCCCCSc1ccccc1 62a_100000719477_100011215482 [0,1,0,0,0,0|1,0,1]=3 5399 B13R1.28 C=CCCCCSc1ccccc1 62a_100011215482_100000041952 [0,1,0,0,0,0|1,0,1]=3 5400 B13R1.28 C=CCCCCSc1ccccn1 62a_100011215482_100011216584 [0,1,0,0,0,0|2,0,1]=4 5401 B13R1.28 C=CCCCCSc1ccccn1 62a_100011216584_100011215482 [0,1,0,0,0,0|2,0,1]=4 5402 B13R1.28 C=CCCCCSc1cccnc1 62a_100000210063_100011215482 [0,1,0,0,0,0|2,0,1]=4 5403 B13R1.28 C=CCCCCSc1cccnc1 62a_100011215482_100000210063 [0,1,0,0,0,0|2,0,1]=4 5404 B13R1.28 C=CCCCCSc1ccncc1 62a_100000728582_100011215482 [0,1,0,0,0,0|2,0,1]=4 5405 B13R1.28 C=CCCCCSc1ccncc1 62a_100011215482_100000728582 [0,1,0,0,0,0|2,0,1]=4 5406 B13R1.28 C=CCCCNCc1ccccc1 2230a_100000700776_100015291786 [0,1,0,0,0,0|1,0,1]=3 5407 B13R1.28 C=CCCCNCc1ccccc1 2230a_100015324214_100011713584 [0,1,0,0,0,0|1,0,1]=3 5408 B13R1.28 C=CCCCNCc1ccccc1 270004a_100000700776_100015611070 [0,1,0,0,0,0|1,0,1]=3 5409 B13R1.28 C=CCCCNCc1ccccc1 34a_100000700776_100015291786 [0,1,0,0,0,0|1,0,1]=3 5410 B13R1.28 C=CCCCNCc1ccccc1 34a_100015324214_100000757094 [0,1,0,0,0,0|1,0,1]=3 5411 B13R1.28 C=CCCCNCc1ccccn1 2230a_100000700776_100000721315 [0,1,0,0,0,0|2,0,1]=4 5412 B13R1.28 C=CCCCNCc1ccccn1 270004a_100000700776_100000209966 [0,1,0,0,0,0|2,0,1]=4 5413 B13R1.28 C=CCCCNCc1ccccn1 34a_100000700776_100000721315 [0,1,0,0,0,0|2,0,1]=4 5414 B13R1.28 C=CCCCNCc1cccnc1 2230a_100000700776_100000741622 [0,1,0,0,0,0|2,0,1]=4 5415 B13R1.28 C=CCCCNCc1cccnc1 270004a_100000700776_100000209961 [0,1,0,0,0,0|2,0,1]=4 5416 B13R1.28 C=CCCCNCc1cccnc1 34a_100000700776_100000733263 [0,1,0,0,0,0|2,0,1]=4 5417 B13R1.28 C=CCCCNCc1ccncc1 2230a_100000700776_100015193705 [0,1,0,0,0,0|2,0,1]=4 5418 B13R1.28 C=CCCCOCc1ccccc1 34a_100000210790_100000757094 [0,1,0,0,0,0|1,0,1]=3 5419 B13R1.28 C=CCCCOCc1ccccc1 34a_100000758997_100015291786 [0,1,0,0,0,0|1,0,1]=3 5420 B13R1.28 C=CCCCOCc1ccccc1 7a_100000210790_100000757094 [0,1,0,0,0,0|1,0,1]=3 5421 B13R1.28 C=CCCCOCc1ccccc1 7a_100000758997_100000211182 [0,1,0,0,0,0|1,0,1]=3 5422 B13R1.28 C=CCCCOCc1ccccn1 34a_100000758997_100000721315 [0,1,0,0,0,0|2,0,1]=4 5423 B13R1.28 C=CCCCOCc1ccccn1 7a_100000758997_100000721315 [0,1,0,0,0,0|2,0,1]=4 5424 B13R1.28 C=CCCCOCc1cccnc1 34a_100000758997_100000733263 [0,1,0,0,0,0|2,0,1]=4 5425 B13R1.28 C=CCCCOCc1cccnc1 7a_100000758997_100000741622 [0,1,0,0,0,0|2,0,1]=4 5426 B13R1.28 C=CCCCOCc1ccncc1 7a_100000758997_100015193705 [0,1,0,0,0,0|2,0,1]=4 5427 B13R1.28 C=CCCCSCc1ccccc1 62a_100000211182_100000757094 [0,1,0,0,0,0|1,0,1]=3 5428 B13R1.28 C=CCCCSCc1ccccc1 62a_100011713584_100015291786 [0,1,0,0,0,0|1,0,1]=3 5429 B13R1.28 C=CCCCSCc1ccccn1 62a_100000721315_100000757094 [0,1,0,0,0,0|2,0,1]=4 5430 B13R1.28 C=CCCCSCc1ccccn1 62a_100011713584_100000721315 [0,1,0,0,0,0|2,0,1]=4 5431 B13R1.28 C=CCCCSCc1cccnc1 62a_100000741622_100000757094 [0,1,0,0,0,0|2,0,1]=4 5432 B13R1.28 C=CCCCSCc1cccnc1 62a_100011713584_100000741622 [0,1,0,0,0,0|2,0,1]=4 5433 B13R1.28 C=CCCCSCc1ccncc1 62a_100011713584_100015193705 [0,1,0,0,0,0|2,0,1]=4 5434 B13R1.28 C=CCCCSCc1ccncc1 62a_100015193705_100000757094 [0,1,0,0,0,0|2,0,1]=4 5435 B13R1.28 C=CCCNCCc1ccccc1 2230a_100000106460_100000754431 [0,1,0,0,0,0|1,0,1]=3 5436 B13R1.28 C=CCCNCCc1ccccc1 2230a_100015191253_100000765856 [0,1,0,0,0,0|1,0,1]=3 5437 B13R1.28 C=CCCNCCc1ccccc1 34a_100000106460_100000754431 [0,1,0,0,0,0|1,0,1]=3 5438 B13R1.28 C=CCCNCCc1ccccn1 2230a_100015191253_100015183660 [0,1,0,0,0,0|2,0,1]=4 5439 B13R1.28 C=CCCNCCc1cccnc1 2230a_100000736294_100000754431 [0,1,0,0,0,0|2,0,1]=4 5440 B13R1.28 C=CCCNCCc1cccnc1 2230a_100015191253_200011713674 [0,1,0,0,0,0|2,0,1]=4 5441 B13R1.28 C=CCCNCCc1ccncc1 2230a_100015191253_100000723409 [0,1,0,0,0,0|2,0,1]=4 5442 B13R1.28 C=CCCNCSc1ccccc1 2230a_100015191253_100011218342 [0,1,0,0,0,0|2,0,1]=4 5443 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [0,1,0,0,0,0|1,0,1]=3 5444 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [0,1,0,0,0,0|1,0,1]=3 5445 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [0,1,0,0,0,0|1,0,1]=3 5446 B13R1.28 C=CCCOCCc1ccccn1 34a_100000210271_100000754431 [0,1,0,0,0,0|2,0,1]=4 5447 B13R1.28 C=CCCOCCc1cccnc1 34a_100011217484_100000754431 [0,1,0,0,0,0|2,0,1]=4 5448 B13R1.28 C=CCCOCCc1ccncc1 34a_100011216225_100000754431 [0,1,0,0,0,0|2,0,1]=4 5449 B13R1.28 C=CCCSCCc1ccccc1 62a_100000754431_100011218657 [0,1,0,0,0,0|1,0,1]=3 5450 B13R1.28 C=CCCSCCc1ccccc1 62a_100000765856_100000754431 [0,1,0,0,0,0|1,0,1]=3 5451 B13R1.28 C=CCCSCCc1ccccn1 62a_100000754431_100015183660 [0,1,0,0,0,0|2,0,1]=4 5452 B13R1.28 C=CCCSCCc1ccccn1 62a_100015183660_100000754431 [0,1,0,0,0,0|2,0,1]=4 5453 B13R1.28 C=CCCSCCc1cccnc1 62a_100000754431_200011713674 [0,1,0,0,0,0|2,0,1]=4 5454 B13R1.28 C=CCCSCCc1cccnc1 62a_200011713674_100000754431 [0,1,0,0,0,0|2,0,1]=4 5455 B13R1.28 C=CCCSCCc1ccncc1 62a_100000723409_100000754431 [0,1,0,0,0,0|2,0,1]=4 5456 B13R1.28 C=CCCSCCc1ccncc1 62a_100000754431_100000723409 [0,1,0,0,0,0|2,0,1]=4 5457 B13R1.28 C=CCCSCSc1ccccc1 62a_100000754431_100011218342 [0,1,0,0,0,0|2,0,1]=4 5458 B13R1.28 C=CCCSCSc1ccccc1 62a_100011218342_100000754431 [0,1,0,0,0,0|2,0,1]=4 5459 B13R1.28 C=CCNCCCc1ccccc1 2230a_100000211184_100000210623 [0,1,0,0,0,0|1,0,1]=3 5460 B13R1.28 C=CCNCCCc1ccccc1 2230a_100020586998_100000211621 [0,1,0,0,0,0|1,0,1]=3 5461 B13R1.28 C=CCNCCCc1ccccc1 34a_100000211184_100015514636 [0,1,0,0,0,0|1,0,1]=3 5462 B13R1.28 C=CCNCCCc1cccnc1 2230a_100011532358_100000210623 [0,1,0,0,0,0|2,0,1]=4 5463 B13R1.28 C=CCNCCCc1cccnc1 34a_100011532358_100015514636 [0,1,0,0,0,0|2,0,1]=4 5464 B13R1.28 C=CCNCCCc1ccncc1 2230a_100011275580_100000210623 [0,1,0,0,0,0|2,0,1]=4 5465 B13R1.28 C=CCNCCOc1ccccc1 2230a_100000174943_100000210623 [0,1,0,0,0,0|2,0,1]=4 5466 B13R1.28 C=CCNCCOc1ccccc1 2230a_100020586998_100000184471 [0,1,0,0,0,0|2,0,1]=4 5467 B13R1.28 C=CCNCCOc1ccccc1 270004a_100020586998_100000758736 [0,1,0,0,0,0|2,0,1]=4 5468 B13R1.28 C=CCNCCOc1ccccc1 34a_100000174943_100015514636 [0,1,0,0,0,0|2,0,1]=4 5469 B13R1.28 C=CCNCCSc1ccccc1 2230a_100000189519_100000210623 [0,1,0,0,0,0|2,0,1]=4 5470 B13R1.28 C=CCNCCSc1ccccc1 2230a_100020586998_100000246102 [0,1,0,0,0,0|2,0,1]=4 5471 B13R1.28 C=CCNCOCc1ccccc1 2230a_100020586998_100000763385 [0,1,0,0,0,0|2,0,1]=4 5472 B13R1.28 C=CCNCSCc1ccccc1 2230a_100020586998_200011217039 [0,1,0,0,0,0|2,0,1]=4 5473 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [0,1,0,0,0,0|1,0,1]=3 5474 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [0,1,0,0,0,0|1,0,1]=3 5475 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [0,1,0,0,0,0|1,0,1]=3 5476 B13R1.28 C=CCOCCCc1ccccn1 34a_100011215068_100015514636 [0,1,0,0,0,0|2,0,1]=4 5477 B13R1.28 C=CCOCCCc1cccnc1 34a_100000211284_100015514636 [0,1,0,0,0,0|2,0,1]=4 5478 B13R1.28 C=CCOCCCc1ccncc1 34a_100000210659_100015514636 [0,1,0,0,0,0|2,0,1]=4 5479 B13R1.28 C=CCOCCNc1ccccc1 34a_100000211345_100015514636 [0,1,0,0,0,0|2,0,1]=4 5480 B13R1.28 C=CCOCCOc1ccccc1 34a_100000210260_100015514636 [0,1,0,0,0,0|2,0,1]=4 5481 B13R1.28 C=CCOCCOc1ccccc1 34a_200000210373_100000184471 [0,1,0,0,0,0|2,0,1]=4 5482 B13R1.28 C=CCOCCOc1ccccc1 7a_100000210260_100015514636 [0,1,0,0,0,0|2,0,1]=4 5483 B13R1.28 C=CCOCCSc1ccccc1 34a_200000210373_100000246102 [0,1,0,0,0,0|2,0,1]=4 5484 B13R1.28 C=CCOCCSc1ccccc1 7a_100000230494_100015514636 [0,1,0,0,0,0|2,0,1]=4 5485 B13R1.28 C=CCOCOCc1ccccc1 34a_200000210373_100000763385 [0,1,0,0,0,0|2,0,1]=4 5486 B13R1.28 C=CCOCSCc1ccccc1 34a_200000210373_200011217039 [0,1,0,0,0,0|2,0,1]=4 5487 B13R1.28 C=CCSCCCc1ccccc1 62a_100000210623_100000211621 [0,1,0,0,0,0|1,0,1]=3 5488 B13R1.28 C=CCSCCCc1ccccc1 62a_100000211621_100000210623 [0,1,0,0,0,0|1,0,1]=3 5489 B13R1.28 C=CCSCCOc1ccccc1 62a_100000184471_100000210623 [0,1,0,0,0,0|2,0,1]=4 5490 B13R1.28 C=CCSCCOc1ccccc1 62a_100000210623_100000184471 [0,1,0,0,0,0|2,0,1]=4 5491 B13R1.28 C=CCSCCSc1ccccc1 62a_100000210623_100000246102 [0,1,0,0,0,0|2,0,1]=4 5492 B13R1.28 C=CCSCCSc1ccccc1 62a_100000246102_100000210623 [0,1,0,0,0,0|2,0,1]=4 5493 B13R1.28 C=CCSCOCc1ccccc1 62a_100000210623_100000763385 [0,1,0,0,0,0|2,0,1]=4 5494 B13R1.28 C=CCSCOCc1ccccc1 62a_100000763385_100000210623 [0,1,0,0,0,0|2,0,1]=4 5495 B13R1.28 C=CCSCSCc1ccccc1 62a_100000210623_200011217039 [0,1,0,0,0,0|2,0,1]=4 5496 B13R1.28 C=CCSCSCc1ccccc1 62a_200011217039_100000210623 [0,1,0,0,0,0|2,0,1]=4 5497 B13R1.28 C=COCCNCc1ccccc1 2230a_100015324214_100000039644 [0,1,0,0,0,0|2,0,1]=4 5498 B13R1.28 C=COCCNCc1ccccc1 34a_100015324214_100000039644 [0,1,0,0,0,0|2,0,1]=4 5499 B13R1.28 C=COCCOCc1ccccc1 34a_100000033082_100015291786 [0,1,0,0,0,0|2,0,1]=4 5500 B13R1.28 C=COCCOCc1ccccc1 34a_100000210790_100000039644 [0,1,0,0,0,0|2,0,1]=4 5501 B13R1.28 C=COCCOCc1ccccc1 7a_100000210790_100000039644 [0,1,0,0,0,0|2,0,1]=4 5502 B13R1.28 C=COCCSCc1ccccc1 62a_100000039644_100015291786 [0,1,0,0,0,0|2,0,1]=4 5503 B13R1.28 C=COCCSCc1ccccc1 62a_100000211182_100000039644 [0,1,0,0,0,0|2,0,1]=4 5504 B13R1.28 CC#CCCOCc1ccccc1 34a_100000750427_100015291786 [0,1,0,0,0,0|1,0,2]=4 5505 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000106460_100000748600 [0,1,0,0,0,0|1,0,2]=4 5506 B13R1.28 CC#CCNCCc1ccccc1 2230a_100000685387_100000765856 [0,1,0,0,0,0|1,0,2]=4 5507 B13R1.28 CC#CCNCCc1ccccc1 34a_100000106460_100000748600 [0,1,0,0,0,0|1,0,2]=4 5508 B13R1.28 CC#CCNCCc1ccccc1 34a_100000685387_100000765856 [0,1,0,0,0,0|1,0,2]=4 5509 B13R1.28 CC#CCOCCc1ccccc1 34a_100000210268_100000748600 [0,1,0,0,0,0|1,0,2]=4 5510 B13R1.28 CC#CCOCCc1ccccc1 34a_100000761923_100000765856 [0,1,0,0,0,0|1,0,2]=4 5511 B13R1.28 CC#CCOCCc1ccccc1 7a_100000210268_100000748600 [0,1,0,0,0,0|1,0,2]=4 5512 B13R1.28 CC#CCSCCc1ccccc1 62a_100000748600_100011218657 [0,1,0,0,0,0|1,0,2]=4 5513 B13R1.28 CC#CCSCCc1ccccc1 62a_100000765856_100000748600 [0,1,0,0,0,0|1,0,2]=4 5514 B13R1.28 CC/C=C\CCNc1ccccc1 34a_100000106764_100015370543 [0,1,0,0,0,0|1,0,2]=4 5515 B13R1.28 CC/C=C\CCOc1ccccc1 34a_100000210340_100015370543 [0,1,0,0,0,0|1,0,2]=4 5516 B13R1.28 CC/C=C\CCOc1ccccc1 7a_100000210340_100015370543 [0,1,0,0,0,0|1,0,2]=4 5517 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100000719477_100015370543 [0,1,0,0,0,0|1,0,2]=4 5518 B13R1.28 CC/C=C\CCSc1ccccc1 62a_100015370543_100000041952 [0,1,0,0,0,0|1,0,2]=4 5519 B13R1.28 CC/C=C\CNCc1ccccc1 2230a_100015324214_100103147603 [0,1,0,0,0,0|1,0,2]=4 5520 B13R1.28 CC/C=C\CNCc1ccccc1 34a_100015324214_100103147603 [0,1,0,0,0,0|1,0,2]=4 5521 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [0,1,0,0,0,0|1,0,2]=4 5522 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [0,1,0,0,0,0|1,0,2]=4 5523 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [0,1,0,0,0,0|1,0,2]=4 5524 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100000211182_100103147603 [0,1,0,0,0,0|1,0,2]=4 5525 B13R1.28 CC/C=C\CSCc1ccccc1 62a_100103147603_100015291786 [0,1,0,0,0,0|1,0,2]=4 5526 B13R1.28 CC=CCNCCc1ccccc1 2230a_100000106460_100000070051 [0,1,0,0,0,0|1,0,2]=4 5527 B13R1.28 CC=CCNCCc1ccccc1 34a_100000106460_100000070051 [0,1,0,0,0,0|1,0,2]=4 5528 B13R1.28 CC=CCOCCc1ccccc1 34a_100000210268_100000070051 [0,1,0,0,0,0|1,0,2]=4 5529 B13R1.28 CC=CCOCCc1ccccc1 7a_100000210268_100000070051 [0,1,0,0,0,0|1,0,2]=4 5530 B13R1.28 CC=CCSCCc1ccccc1 62a_100000070051_100011218657 [0,1,0,0,0,0|1,0,2]=4 5531 B13R1.28 CC=CCSCCc1ccccc1 62a_100000765856_100000070051 [0,1,0,0,0,0|1,0,2]=4 5532 B13R1.28 CCC#CCNCc1ccccc1 2230a_100015324214_100009813939 [0,1,0,0,0,0|1,0,2]=4 5533 B13R1.28 CCC#CCNCc1ccccc1 34a_100015324214_100009813939 [0,1,0,0,0,0|1,0,2]=4 5534 B13R1.28 CCC#CCOCc1ccccc1 34a_100000032950_100015291786 [0,1,0,0,0,0|1,0,2]=4 5535 B13R1.28 CCC#CCOCc1ccccc1 34a_100000210790_100009813939 [0,1,0,0,0,0|1,0,2]=4 5536 B13R1.28 CCC#CCOCc1ccccc1 7a_100000210790_100009813939 [0,1,0,0,0,0|1,0,2]=4 5537 B13R1.28 CCC#CCSCc1ccccc1 62a_100000211182_100009813939 [0,1,0,0,0,0|1,0,2]=4 5538 B13R1.28 CCC#CCSCc1ccccc1 62a_100009813939_100015291786 [0,1,0,0,0,0|1,0,2]=4 5539 B13R1.28 CCC=NNCCc1ccccc1 4a_100000740470_100000210100 [0,1,0,0,0,0|2,0,1]=4 5540 B13R1.28 CCCC=NNCc1ccccc1 4a_100000007032_100000185831 [0,1,0,0,0,0|2,0,1]=4 5541 B13R1.28 CCCCC=NNc1ccccc1 4a_100015195140_100000210104 [0,1,0,0,0,0|2,0,1]=4 5542 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [0,1,0,0,0,0|1,0,1]=3 5543 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [0,1,0,0,0,0|2,0,1]=4 5544 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [0,1,0,0,0,0|2,0,1]=4 5545 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [0,1,0,0,0,0|2,0,1]=4 5546 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [0,1,0,0,0,0|1,0,0]=2 5547 B13R1.28 CCCCCCNc1cccnn1 27a_100000210581_100016991348 [0,1,0,0,0,0|3,0,0]=4 5548 B13R1.28 CCCCCCNc1ccncn1 27a_100000210581_100000703185 [0,1,0,0,0,0|3,0,0]=4 5549 B13R1.28 CCCCCCNc1cnccn1 27a_100000210581_100000211759 [0,1,0,0,0,0|3,0,0]=4 5550 B13R1.28 CCCCCCNc1ncccn1 27a_100000210581_100000211032 [0,1,0,0,0,0|3,0,0]=4 5551 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [0,1,0,0,0,0|1,0,0]=2 5552 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [0,1,0,0,0,0|1,0,0]=2 5553 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [0,1,0,0,0,0|2,0,0]=3 5554 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [0,1,0,0,0,0|2,0,0]=3 5555 B13R1.28 CCCCCCOc1ccncc1 34a_100000212176_100000210314 [0,1,0,0,0,0|2,0,0]=3 5556 B13R1.28 CCCCCCOc1ccnnc1 34a_100015204005_100000210314 [0,1,0,0,0,0|3,0,0]=4 5557 B13R1.28 CCCCCCOc1cncnc1 7a_100000754086_100000210314 [0,1,0,0,0,0|3,0,0]=4 5558 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [0,1,0,0,0,0|1,0,0]=2 5559 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [0,1,0,0,0,0|1,0,0]=2 5560 B13R1.28 CCCCCCSc1ccccn1 62a_100000210314_100011216584 [0,1,0,0,0,0|2,0,0]=3 5561 B13R1.28 CCCCCCSc1ccccn1 62a_100011216584_100000210757 [0,1,0,0,0,0|2,0,0]=3 5562 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [0,1,0,0,0,0|2,0,0]=3 5563 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [0,1,0,0,0,0|2,0,0]=3 5564 B13R1.28 CCCCCCSc1cccnn1 62a_100000210314_100016991348 [0,1,0,0,0,0|3,0,0]=4 5565 B13R1.28 CCCCCCSc1cccnn1 62a_100016991348_100000210757 [0,1,0,0,0,0|3,0,0]=4 5566 B13R1.28 CCCCCCSc1ccncc1 62a_100000210314_100000728582 [0,1,0,0,0,0|2,0,0]=3 5567 B13R1.28 CCCCCCSc1ccncc1 62a_100000728582_100000210757 [0,1,0,0,0,0|2,0,0]=3 5568 B13R1.28 CCCCCCSc1ccncn1 62a_100000210314_100000703185 [0,1,0,0,0,0|3,0,0]=4 5569 B13R1.28 CCCCCCSc1ccncn1 62a_100000703185_100000210757 [0,1,0,0,0,0|3,0,0]=4 5570 B13R1.28 CCCCCCSc1ccnnc1 62a_100000210314_100000732662 [0,1,0,0,0,0|3,0,0]=4 5571 B13R1.28 CCCCCCSc1ccnnc1 62a_100000732662_100000210757 [0,1,0,0,0,0|3,0,0]=4 5572 B13R1.28 CCCCCCSc1cnccn1 62a_100000210314_100000211759 [0,1,0,0,0,0|3,0,0]=4 5573 B13R1.28 CCCCCCSc1cnccn1 62a_100000211759_100000210757 [0,1,0,0,0,0|3,0,0]=4 5574 B13R1.28 CCCCCCSc1cncnc1 62a_100000210314_100011206942 [0,1,0,0,0,0|3,0,0]=4 5575 B13R1.28 CCCCCCSc1cncnc1 62a_100011206942_100000210757 [0,1,0,0,0,0|3,0,0]=4 5576 B13R1.28 CCCCCCSc1ncccn1 62a_100000210314_100000211032 [0,1,0,0,0,0|3,0,0]=4 5577 B13R1.28 CCCCCCSc1ncccn1 62a_100000211032_100000210757 [0,1,0,0,0,0|3,0,0]=4 5578 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [0,1,0,0,0,0|1,0,0]=2 5579 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [0,1,0,0,0,0|1,0,0]=2 5580 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [0,1,0,0,0,0|1,0,0]=2 5581 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [0,1,0,0,0,0|1,0,0]=2 5582 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [0,1,0,0,0,0|1,0,0]=2 5583 B13R1.28 CCCCCNCc1ccccn1 207a_100000209983_100000209966 [0,1,0,0,0,0|2,0,0]=3 5584 B13R1.28 CCCCCNCc1ccccn1 2230a_100000209983_100000721315 [0,1,0,0,0,0|2,0,0]=3 5585 B13R1.28 CCCCCNCc1ccccn1 270004a_100000209983_100000209966 [0,1,0,0,0,0|2,0,0]=3 5586 B13R1.28 CCCCCNCc1cccnc1 207a_100000209983_100000209961 [0,1,0,0,0,0|2,0,0]=3 5587 B13R1.28 CCCCCNCc1cccnc1 2230a_100000209983_100000741622 [0,1,0,0,0,0|2,0,0]=3 5588 B13R1.28 CCCCCNCc1cccnc1 270004a_100000209983_100000209961 [0,1,0,0,0,0|2,0,0]=3 5589 B13R1.28 CCCCCNCc1cccnn1 2230a_100000209983_100016990269 [0,1,0,0,0,0|3,0,0]=4 5590 B13R1.28 CCCCCNCc1cccnn1 2230a_100159270163_100000210326 [0,1,0,0,0,0|3,0,0]=4 5591 B13R1.28 CCCCCNCc1ccncc1 207a_100000209983_100000186114 [0,1,0,0,0,0|2,0,0]=3 5592 B13R1.28 CCCCCNCc1ccncc1 2230a_100000209983_100015193705 [0,1,0,0,0,0|2,0,0]=3 5593 B13R1.28 CCCCCNCc1ccnnc1 270004a_100000209983_100011934578 [0,1,0,0,0,0|3,0,0]=4 5594 B13R1.28 CCCCCNCc1cnccn1 2230a_100000209983_100016995436 [0,1,0,0,0,0|3,0,0]=4 5595 B13R1.28 CCCCCNCc1cnccn1 270004a_100000209983_100000749867 [0,1,0,0,0,0|3,0,0]=4 5596 B13R1.28 CCCCCNCc1cncnc1 2230a_100000209983_100015196519 [0,1,0,0,0,0|3,0,0]=4 5597 B13R1.28 CCCCCNCc1cncnc1 2230a_100011243677_100000210326 [0,1,0,0,0,0|3,0,0]=4 5598 B13R1.28 CCCCCNCc1cncnc1 270004a_100000209983_100000749868 [0,1,0,0,0,0|3,0,0]=4 5599 B13R1.28 CCCCCNCc1ncccn1 2230a_100000209983_100000703007 [0,1,0,0,0,0|3,0,0]=4 5600 B13R1.28 CCCCCNCc1ncccn1 270004a_100000209983_100011532527 [0,1,0,0,0,0|3,0,0]=4 5601 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [0,1,0,0,0,0|1,0,0]=2 5602 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [0,1,0,0,0,0|1,0,0]=2 5603 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [0,1,0,0,0,0|1,0,0]=2 5604 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [0,1,0,0,0,0|1,0,0]=2 5605 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [0,1,0,0,0,0|2,0,0]=3 5606 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [0,1,0,0,0,0|2,0,0]=3 5607 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [0,1,0,0,0,0|2,0,0]=3 5608 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [0,1,0,0,0,0|2,0,0]=3 5609 B13R1.28 CCCCCOCc1cccnn1 34a_100000210253_100016990269 [0,1,0,0,0,0|3,0,0]=4 5610 B13R1.28 CCCCCOCc1cccnn1 7a_100000210253_100016990269 [0,1,0,0,0,0|3,0,0]=4 5611 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [0,1,0,0,0,0|2,0,0]=3 5612 B13R1.28 CCCCCOCc1cnccn1 34a_100000210253_100016995436 [0,1,0,0,0,0|3,0,0]=4 5613 B13R1.28 CCCCCOCc1cnccn1 7a_100000210253_100016995436 [0,1,0,0,0,0|3,0,0]=4 5614 B13R1.28 CCCCCOCc1cncnc1 34a_100000210253_100015196519 [0,1,0,0,0,0|3,0,0]=4 5615 B13R1.28 CCCCCOCc1cncnc1 7a_100000210253_100015196519 [0,1,0,0,0,0|3,0,0]=4 5616 B13R1.28 CCCCCOCc1ncccn1 34a_100000210253_100000703007 [0,1,0,0,0,0|3,0,0]=4 5617 B13R1.28 CCCCCOCc1ncccn1 7a_100000210253_100000703007 [0,1,0,0,0,0|3,0,0]=4 5618 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [0,1,0,0,0,0|1,0,0]=2 5619 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [0,1,0,0,0,0|1,0,0]=2 5620 B13R1.28 CCCCCSCc1ccccn1 62a_100000210326_100000721315 [0,1,0,0,0,0|2,0,0]=3 5621 B13R1.28 CCCCCSCc1ccccn1 62a_100000721315_100000210326 [0,1,0,0,0,0|2,0,0]=3 5622 B13R1.28 CCCCCSCc1cccnc1 62a_100000210326_100000741622 [0,1,0,0,0,0|2,0,0]=3 5623 B13R1.28 CCCCCSCc1cccnc1 62a_100000741622_100000210326 [0,1,0,0,0,0|2,0,0]=3 5624 B13R1.28 CCCCCSCc1cccnn1 62a_100000210326_100016990269 [0,1,0,0,0,0|3,0,0]=4 5625 B13R1.28 CCCCCSCc1cccnn1 62a_100016990269_100000210326 [0,1,0,0,0,0|3,0,0]=4 5626 B13R1.28 CCCCCSCc1ccncc1 62a_100000210326_100015193705 [0,1,0,0,0,0|2,0,0]=3 5627 B13R1.28 CCCCCSCc1ccncc1 62a_100015193705_100000210326 [0,1,0,0,0,0|2,0,0]=3 5628 B13R1.28 CCCCCSCc1cnccn1 62a_100000210326_100016995436 [0,1,0,0,0,0|3,0,0]=4 5629 B13R1.28 CCCCCSCc1cnccn1 62a_100016995436_100000210326 [0,1,0,0,0,0|3,0,0]=4 5630 B13R1.28 CCCCCSCc1cncnc1 62a_100000210326_100015196519 [0,1,0,0,0,0|3,0,0]=4 5631 B13R1.28 CCCCCSCc1cncnc1 62a_100015196519_100000210326 [0,1,0,0,0,0|3,0,0]=4 5632 B13R1.28 CCCCCSCc1ncccn1 62a_100000210326_100000703007 [0,1,0,0,0,0|3,0,0]=4 5633 B13R1.28 CCCCCSCc1ncccn1 62a_100000703007_100000210326 [0,1,0,0,0,0|3,0,0]=4 5634 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [0,1,0,0,0,0|1,0,0]=2 5635 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [0,1,0,0,0,0|1,0,0]=2 5636 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [0,1,0,0,0,0|1,0,0]=2 5637 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [0,1,0,0,0,0|1,0,0]=2 5638 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [0,1,0,0,0,0|2,0,0]=3 5639 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [0,1,0,0,0,0|2,0,0]=3 5640 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [0,1,0,0,0,0|2,0,0]=3 5641 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [0,1,0,0,0,0|2,0,0]=3 5642 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [0,1,0,0,0,0|2,0,0]=3 5643 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [0,1,0,0,0,0|2,0,0]=3 5644 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [0,1,0,0,0,0|2,0,0]=3 5645 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [0,1,0,0,0,0|2,0,0]=3 5646 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [0,1,0,0,0,0|2,0,1]=4 5647 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [0,1,0,0,0,0|1,0,0]=2 5648 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [0,1,0,0,0,0|1,0,0]=2 5649 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [0,1,0,0,0,0|1,0,0]=2 5650 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [0,1,0,0,0,0|1,0,0]=2 5651 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [0,1,0,0,0,0|2,0,0]=3 5652 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [0,1,0,0,0,0|2,0,0]=3 5653 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [0,1,0,0,0,0|2,0,0]=3 5654 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [0,1,0,0,0,0|2,0,0]=3 5655 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [0,1,0,0,0,0|2,0,0]=3 5656 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [0,1,0,0,0,0|2,0,0]=3 5657 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [0,1,0,0,0,0|3,0,0]=4 5658 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [0,1,0,0,0,0|3,0,0]=4 5659 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [0,1,0,0,0,0|2,0,0]=3 5660 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [0,1,0,0,0,0|2,0,0]=3 5661 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [0,1,0,0,0,0|3,0,0]=4 5662 B13R1.28 CCCCOCOc1ccncc1 34a_100000212176_100011995733 [0,1,0,0,0,0|3,0,0]=4 5663 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [0,1,0,0,0,0|2,0,0]=3 5664 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [0,1,0,0,0,0|2,0,0]=3 5665 B13R1.28 CCCCOCSc1ccccn1 62a_100011216584_100011995733 [0,1,0,0,0,0|3,0,0]=4 5666 B13R1.28 CCCCOCSc1ccccn1 62a_100011995733_100011216584 [0,1,0,0,0,0|3,0,0]=4 5667 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [0,1,0,0,0,0|3,0,0]=4 5668 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [0,1,0,0,0,0|3,0,0]=4 5669 B13R1.28 CCCCOCSc1ccncc1 62a_100000728582_100011995733 [0,1,0,0,0,0|3,0,0]=4 5670 B13R1.28 CCCCOCSc1ccncc1 62a_100011995733_100000728582 [0,1,0,0,0,0|3,0,0]=4 5671 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [0,1,0,0,0,0|1,0,0]=2 5672 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [0,1,0,0,0,0|1,0,0]=2 5673 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [0,1,0,0,0,0|2,0,0]=3 5674 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [0,1,0,0,0,0|2,0,0]=3 5675 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [0,1,0,0,0,0|2,0,0]=3 5676 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [0,1,0,0,0,0|2,0,0]=3 5677 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [0,1,0,0,0,0|2,0,0]=3 5678 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [0,1,0,0,0,0|2,0,0]=3 5679 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [0,1,0,0,0,0|2,0,0]=3 5680 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [0,1,0,0,0,0|2,0,0]=3 5681 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [0,1,0,0,0,0|1,0,2]=4 5682 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [0,1,0,0,0,0|1,0,2]=4 5683 B13R1.28 CCCNCC#Cc1ccccc1 34a_100000735379_100000210303 [0,1,0,0,0,0|1,0,2]=4 5684 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [0,1,0,0,0,0|1,0,2]=4 5685 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,1,0,0,0,0|1,0,0]=2 5686 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,1,0,0,0,0|1,0,0]=2 5687 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,1,0,0,0,0|2,0,0]=3 5688 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,1,0,0,0,0|2,0,0]=3 5689 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [0,1,0,0,0,0|2,0,0]=3 5690 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [0,1,0,0,0,0|2,0,0]=3 5691 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [0,1,0,0,0,0|2,0,0]=3 5692 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [0,1,0,0,0,0|2,0,0]=3 5693 B13R1.28 CCCNCCOc1ccccn1 2230a_106741647558_100000210303 [0,1,0,0,0,0|3,0,0]=4 5694 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [0,1,0,0,0,0|3,0,0]=4 5695 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [0,1,0,0,0,0|2,0,0]=3 5696 B13R1.28 CCCNN=CCc1ccccc1 4a_100000740057_100000209964 [0,1,0,0,0,0|2,0,1]=4 5697 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [0,1,0,0,0,0|1,0,2]=4 5698 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [0,1,0,0,0,0|1,0,2]=4 5699 B13R1.28 CCCOCC#Cc1ccccc1 34a_100000210258_100011352542 [0,1,0,0,0,0|1,0,2]=4 5700 B13R1.28 CCCOCC#Cc1ccccc1 34a_100011217464_100000210303 [0,1,0,0,0,0|1,0,2]=4 5701 B13R1.28 CCCOCC#Cc1ccccc1 7a_100011217464_100000210303 [0,1,0,0,0,0|1,0,2]=4 5702 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,1,0,0,0,0|1,0,2]=4 5703 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,1,0,0,0,0|1,0,0]=2 5704 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,1,0,0,0,0|1,0,0]=2 5705 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,1,0,0,0,0|1,0,0]=2 5706 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [0,1,0,0,0,0|2,0,0]=3 5707 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [0,1,0,0,0,0|2,0,0]=3 5708 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [0,1,0,0,0,0|2,0,0]=3 5709 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [0,1,0,0,0,0|2,0,0]=3 5710 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [0,1,0,0,0,0|2,0,0]=3 5711 B13R1.28 CCCOCCNc1ccncc1 34a_200011243140_100000210303 [0,1,0,0,0,0|3,0,0]=4 5712 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [0,1,0,0,0,0|2,0,0]=3 5713 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [0,1,0,0,0,0|2,0,0]=3 5714 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [0,1,0,0,0,0|2,0,0]=3 5715 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [0,1,0,0,0,0|2,0,0]=3 5716 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [0,1,0,0,0,0|2,0,0]=3 5717 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [0,1,0,0,0,0|3,0,0]=4 5718 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [0,1,0,0,0,0|3,0,0]=4 5719 B13R1.28 CCCOCCOc1ccncc1 34a_100000212176_100011215938 [0,1,0,0,0,0|3,0,0]=4 5720 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [0,1,0,0,0,0|2,0,0]=3 5721 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [0,1,0,0,0,0|2,0,0]=3 5722 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [0,1,0,0,0,0|2,0,0]=3 5723 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [0,1,0,0,0,0|2,0,0]=3 5724 B13R1.28 CCCOCCSc1ccccn1 62a_100011215938_100011216584 [0,1,0,0,0,0|3,0,0]=4 5725 B13R1.28 CCCOCCSc1ccccn1 62a_100011216584_100011215938 [0,1,0,0,0,0|3,0,0]=4 5726 B13R1.28 CCCOCCSc1ccccn1 7a_100000156319_100000210303 [0,1,0,0,0,0|3,0,0]=4 5727 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [0,1,0,0,0,0|3,0,0]=4 5728 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [0,1,0,0,0,0|3,0,0]=4 5729 B13R1.28 CCCOCCSc1ccncc1 62a_100000728582_100011215938 [0,1,0,0,0,0|3,0,0]=4 5730 B13R1.28 CCCOCCSc1ccncc1 62a_100011215938_100000728582 [0,1,0,0,0,0|3,0,0]=4 5731 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [0,1,0,0,0,0|2,0,0]=3 5732 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [0,1,0,0,0,0|2,0,0]=3 5733 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [0,1,0,0,0,0|1,0,2]=4 5734 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [0,1,0,0,0,0|1,0,2]=4 5735 B13R1.28 CCCSCC#Cc1ccccc1 62a_100000210303_100011352542 [0,1,0,0,0,0|1,0,2]=4 5736 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,1,0,0,0,0|1,0,0]=2 5737 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,1,0,0,0,0|1,0,0]=2 5738 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [0,1,0,0,0,0|2,0,0]=3 5739 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [0,1,0,0,0,0|2,0,0]=3 5740 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [0,1,0,0,0,0|2,0,0]=3 5741 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [0,1,0,0,0,0|2,0,0]=3 5742 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [0,1,0,0,0,0|2,0,0]=3 5743 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [0,1,0,0,0,0|2,0,0]=3 5744 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [0,1,0,0,0,0|2,0,0]=3 5745 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [0,1,0,0,0,0|2,0,0]=3 5746 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [0,1,0,0,0,0|1,0,0]=2 5747 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [0,1,0,0,0,0|1,0,0]=2 5748 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [0,1,0,0,0,0|1,0,0]=2 5749 B13R1.28 CCNCCCCc1ccncc1 2230a_100015525214_100020630000 [0,1,0,0,0,0|2,0,0]=3 5750 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [0,1,0,0,0,0|2,0,0]=3 5751 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [0,1,0,0,0,0|2,0,0]=3 5752 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [0,1,0,0,0,0|2,0,0]=3 5753 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [0,1,0,0,0,0|2,0,0]=3 5754 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [0,1,0,0,0,0|2,0,0]=3 5755 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [0,1,0,0,0,0|2,0,0]=3 5756 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [0,1,0,0,0,0|2,0,0]=3 5757 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [0,1,0,0,0,0|2,0,0]=3 5758 B13R1.28 CCNCCSCc1ccccc1 2230a_100000189534_100000210202 [0,1,0,0,0,0|2,0,0]=3 5759 B13R1.28 CCNCCSCc1ccccc1 2230a_100015525214_200011297719 [0,1,0,0,0,0|2,0,0]=3 5760 B13R1.28 CCNCCSCc1ccccc1 34a_100000189534_100000210202 [0,1,0,0,0,0|2,0,0]=3 5761 B13R1.28 CCNCCSCc1ccccc1 7a_100000189534_100000210202 [0,1,0,0,0,0|2,0,0]=3 5762 B13R1.28 CCNN=CCCc1ccccc1 4a_100000756455_100000198083 [0,1,0,0,0,0|2,0,1]=4 5763 B13R1.28 CCOCCC#Cc1ccccc1 34a_100000760064_100000210202 [0,1,0,0,0,0|1,0,2]=4 5764 B13R1.28 CCOCCC#Cc1ccccc1 7a_100000760064_100000210202 [0,1,0,0,0,0|1,0,2]=4 5765 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [0,1,0,0,0,0|1,0,0]=2 5766 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [0,1,0,0,0,0|1,0,0]=2 5767 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [0,1,0,0,0,0|1,0,0]=2 5768 B13R1.28 CCOCCCCc1ccccn1 34a_100012186994_100000210202 [0,1,0,0,0,0|2,0,0]=3 5769 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [0,1,0,0,0,0|2,0,0]=3 5770 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [0,1,0,0,0,0|2,0,0]=3 5771 B13R1.28 CCOCCCCc1ccncc1 34a_100011787716_100000210202 [0,1,0,0,0,0|2,0,0]=3 5772 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [0,1,0,0,0,0|2,0,0]=3 5773 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [0,1,0,0,0,0|2,0,0]=3 5774 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [0,1,0,0,0,0|2,0,0]=3 5775 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [0,1,0,0,0,0|2,0,0]=3 5776 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [0,1,0,0,0,0|2,0,0]=3 5777 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [0,1,0,0,0,0|2,0,0]=3 5778 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [0,1,0,0,0,0|2,0,0]=3 5779 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [0,1,0,0,0,0|3,0,0]=4 5780 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [0,1,0,0,0,0|3,0,0]=4 5781 B13R1.28 CCOCCCOc1ccncc1 34a_100000212176_100012232248 [0,1,0,0,0,0|3,0,0]=4 5782 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [0,1,0,0,0,0|2,0,0]=3 5783 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [0,1,0,0,0,0|2,0,0]=3 5784 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [0,1,0,0,0,0|2,0,0]=3 5785 B13R1.28 CCOCCCSc1ccccn1 62a_100011216584_100012232248 [0,1,0,0,0,0|3,0,0]=4 5786 B13R1.28 CCOCCCSc1ccccn1 62a_100012232248_100011216584 [0,1,0,0,0,0|3,0,0]=4 5787 B13R1.28 CCOCCCSc1cccnc1 62a_100000210063_100012232248 [0,1,0,0,0,0|3,0,0]=4 5788 B13R1.28 CCOCCCSc1cccnc1 62a_100012232248_100000210063 [0,1,0,0,0,0|3,0,0]=4 5789 B13R1.28 CCOCCCSc1ccncc1 62a_100000728582_100012232248 [0,1,0,0,0,0|3,0,0]=4 5790 B13R1.28 CCOCCCSc1ccncc1 62a_100012232248_100000728582 [0,1,0,0,0,0|3,0,0]=4 5791 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [0,1,0,0,0,0|2,0,0]=3 5792 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [0,1,0,0,0,0|2,0,0]=3 5793 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [0,1,0,0,0,0|2,0,0]=3 5794 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [0,1,0,0,0,0|2,0,0]=3 5795 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [0,1,0,0,0,0|2,0,0]=3 5796 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [0,1,0,0,0,0|2,0,0]=3 5797 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [0,1,0,0,0,0|2,0,0]=3 5798 B13R1.28 CCOCCNCc1ccccn1 207a_100011200944_100000209966 [0,1,0,0,0,0|3,0,0]=4 5799 B13R1.28 CCOCCNCc1ccccn1 2230a_102516460346_100000721315 [0,1,0,0,0,0|3,0,0]=4 5800 B13R1.28 CCOCCNCc1ccccn1 270004a_102516460346_100000209966 [0,1,0,0,0,0|3,0,0]=4 5801 B13R1.28 CCOCCNCc1ccccn1 34a_102516460346_100000721315 [0,1,0,0,0,0|3,0,0]=4 5802 B13R1.28 CCOCCNCc1cccnc1 207a_100011200944_100000209961 [0,1,0,0,0,0|3,0,0]=4 5803 B13R1.28 CCOCCNCc1cccnc1 2230a_102516460346_100000741622 [0,1,0,0,0,0|3,0,0]=4 5804 B13R1.28 CCOCCNCc1cccnc1 270004a_102516460346_100000209961 [0,1,0,0,0,0|3,0,0]=4 5805 B13R1.28 CCOCCNCc1cccnc1 34a_102516460346_100000733263 [0,1,0,0,0,0|3,0,0]=4 5806 B13R1.28 CCOCCNCc1ccncc1 207a_100011200944_100000186114 [0,1,0,0,0,0|3,0,0]=4 5807 B13R1.28 CCOCCNCc1ccncc1 2230a_102516460346_100015193705 [0,1,0,0,0,0|3,0,0]=4 5808 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [0,1,0,0,0,0|2,0,0]=3 5809 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [0,1,0,0,0,0|2,0,0]=3 5810 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [0,1,0,0,0,0|2,0,0]=3 5811 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [0,1,0,0,0,0|2,0,0]=3 5812 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [0,1,0,0,0,0|2,0,0]=3 5813 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [0,1,0,0,0,0|2,0,0]=3 5814 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [0,1,0,0,0,0|2,0,0]=3 5815 B13R1.28 CCOCCOCc1ccccn1 34a_100000210136_100000721315 [0,1,0,0,0,0|3,0,0]=4 5816 B13R1.28 CCOCCOCc1ccccn1 7a_100000210136_100000721315 [0,1,0,0,0,0|3,0,0]=4 5817 B13R1.28 CCOCCOCc1cccnc1 34a_100000210136_100000733263 [0,1,0,0,0,0|3,0,0]=4 5818 B13R1.28 CCOCCOCc1cccnc1 7a_100000210136_100000741622 [0,1,0,0,0,0|3,0,0]=4 5819 B13R1.28 CCOCCOCc1ccncc1 7a_100000210136_100015193705 [0,1,0,0,0,0|3,0,0]=4 5820 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [0,1,0,0,0,0|2,0,0]=3 5821 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [0,1,0,0,0,0|2,0,0]=3 5822 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [0,1,0,0,0,0|2,0,0]=3 5823 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [0,1,0,0,0,0|2,0,0]=3 5824 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [0,1,0,0,0,0|2,0,0]=3 5825 B13R1.28 CCOCCSCc1ccccn1 62a_100000210147_100000721315 [0,1,0,0,0,0|3,0,0]=4 5826 B13R1.28 CCOCCSCc1ccccn1 62a_100000721315_100011215890 [0,1,0,0,0,0|3,0,0]=4 5827 B13R1.28 CCOCCSCc1cccnc1 62a_100000210147_100000741622 [0,1,0,0,0,0|3,0,0]=4 5828 B13R1.28 CCOCCSCc1cccnc1 62a_100000741622_100011215890 [0,1,0,0,0,0|3,0,0]=4 5829 B13R1.28 CCOCCSCc1ccncc1 62a_100000210147_100015193705 [0,1,0,0,0,0|3,0,0]=4 5830 B13R1.28 CCOCCSCc1ccncc1 62a_100015193705_100011215890 [0,1,0,0,0,0|3,0,0]=4 5831 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [0,1,0,0,0,0|2,0,0]=3 5832 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [0,1,0,0,0,0|2,0,0]=3 5833 B13R1.28 CCOCSCCc1ccccn1 62a_100000739092_100015183660 [0,1,0,0,0,0|3,0,0]=4 5834 B13R1.28 CCOCSCCc1ccccn1 62a_100015183660_100000739092 [0,1,0,0,0,0|3,0,0]=4 5835 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [0,1,0,0,0,0|3,0,0]=4 5836 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [0,1,0,0,0,0|3,0,0]=4 5837 B13R1.28 CCOCSCCc1ccncc1 62a_100000723409_100000739092 [0,1,0,0,0,0|3,0,0]=4 5838 B13R1.28 CCOCSCCc1ccncc1 62a_100000739092_100000723409 [0,1,0,0,0,0|3,0,0]=4 5839 B13R1.28 CCOCSCSc1ccccc1 62a_100000739092_100011218342 [0,1,0,0,0,0|3,0,0]=4 5840 B13R1.28 CCOCSCSc1ccccc1 62a_100011218342_100000739092 [0,1,0,0,0,0|3,0,0]=4 5841 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [0,1,0,0,0,0|1,0,0]=2 5842 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [0,1,0,0,0,0|1,0,0]=2 5843 B13R1.28 CCSCCCCc1ccncc1 62a_100000210202_100020630000 [0,1,0,0,0,0|2,0,0]=3 5844 B13R1.28 CCSCCCCc1ccncc1 62a_100020630000_100000210202 [0,1,0,0,0,0|2,0,0]=3 5845 B13R1.28 CCSCCCOc1ccccc1 62a_100000199009_100000210202 [0,1,0,0,0,0|2,0,0]=3 5846 B13R1.28 CCSCCCOc1ccccc1 62a_100000210202_100000199009 [0,1,0,0,0,0|2,0,0]=3 5847 B13R1.28 CCSCCCSc1ccccc1 62a_100000210202_200011203293 [0,1,0,0,0,0|2,0,0]=3 5848 B13R1.28 CCSCCCSc1ccccc1 62a_200011203293_100000210202 [0,1,0,0,0,0|2,0,0]=3 5849 B13R1.28 CCSCCNCc1ccccc1 207a_100000106463_100015611070 [0,1,0,0,0,0|2,0,0]=3 5850 B13R1.28 CCSCCNCc1ccccc1 2230a_100000106463_100015291786 [0,1,0,0,0,0|2,0,0]=3 5851 B13R1.28 CCSCCNCc1ccccc1 2230a_100015324214_100000757381 [0,1,0,0,0,0|2,0,0]=3 5852 B13R1.28 CCSCCNCc1ccccc1 270004a_100000106463_100015611070 [0,1,0,0,0,0|2,0,0]=3 5853 B13R1.28 CCSCCNCc1ccccc1 34a_100015324214_100000757381 [0,1,0,0,0,0|2,0,0]=3 5854 B13R1.28 CCSCCNCc1ccccn1 207a_100000106463_100000209966 [0,1,0,0,0,0|3,0,0]=4 5855 B13R1.28 CCSCCNCc1ccccn1 2230a_100000106463_100000721315 [0,1,0,0,0,0|3,0,0]=4 5856 B13R1.28 CCSCCNCc1ccccn1 270004a_100000106463_100000209966 [0,1,0,0,0,0|3,0,0]=4 5857 B13R1.28 CCSCCNCc1cccnc1 207a_100000106463_100000209961 [0,1,0,0,0,0|3,0,0]=4 5858 B13R1.28 CCSCCNCc1cccnc1 2230a_100000106463_100000741622 [0,1,0,0,0,0|3,0,0]=4 5859 B13R1.28 CCSCCNCc1cccnc1 270004a_100000106463_100000209961 [0,1,0,0,0,0|3,0,0]=4 5860 B13R1.28 CCSCCNCc1ccncc1 207a_100000106463_100000186114 [0,1,0,0,0,0|3,0,0]=4 5861 B13R1.28 CCSCCNCc1ccncc1 2230a_100000106463_100015193705 [0,1,0,0,0,0|3,0,0]=4 5862 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [0,1,0,0,0,0|2,0,0]=3 5863 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [0,1,0,0,0,0|2,0,0]=3 5864 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [0,1,0,0,0,0|2,0,0]=3 5865 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [0,1,0,0,0,0|2,0,0]=3 5866 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [0,1,0,0,0,0|2,0,0]=3 5867 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [0,1,0,0,0,0|2,0,0]=3 5868 B13R1.28 CCSCCOCc1ccccn1 34a_100000212035_100000721315 [0,1,0,0,0,0|3,0,0]=4 5869 B13R1.28 CCSCCOCc1ccccn1 7a_100000212035_100000721315 [0,1,0,0,0,0|3,0,0]=4 5870 B13R1.28 CCSCCOCc1cccnc1 34a_100000212035_100000733263 [0,1,0,0,0,0|3,0,0]=4 5871 B13R1.28 CCSCCOCc1cccnc1 7a_100000212035_100000741622 [0,1,0,0,0,0|3,0,0]=4 5872 B13R1.28 CCSCCOCc1ccncc1 7a_100000212035_100015193705 [0,1,0,0,0,0|3,0,0]=4 5873 B13R1.28 CCSCCSCc1ccccc1 62a_100000210202_200011297719 [0,1,0,0,0,0|2,0,0]=3 5874 B13R1.28 CCSCCSCc1ccccc1 62a_100000211182_100000757381 [0,1,0,0,0,0|2,0,0]=3 5875 B13R1.28 CCSCCSCc1ccccc1 62a_100000757381_100015291786 [0,1,0,0,0,0|2,0,0]=3 5876 B13R1.28 CCSCCSCc1ccccc1 62a_200011297719_100000210202 [0,1,0,0,0,0|2,0,0]=3 5877 B13R1.28 CCSCCSCc1ccccn1 62a_100000721315_100000757381 [0,1,0,0,0,0|3,0,0]=4 5878 B13R1.28 CCSCCSCc1ccccn1 62a_100000757381_100000721315 [0,1,0,0,0,0|3,0,0]=4 5879 B13R1.28 CCSCCSCc1cccnc1 62a_100000741622_100000757381 [0,1,0,0,0,0|3,0,0]=4 5880 B13R1.28 CCSCCSCc1cccnc1 62a_100000757381_100000741622 [0,1,0,0,0,0|3,0,0]=4 5881 B13R1.28 CCSCCSCc1ccncc1 62a_100000757381_100015193705 [0,1,0,0,0,0|3,0,0]=4 5882 B13R1.28 CCSCCSCc1ccncc1 62a_100015193705_100000757381 [0,1,0,0,0,0|3,0,0]=4 5883 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,1,0,0,0,0|1,0,0]=2 5884 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,1,0,0,0,0|1,0,0]=2 5885 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,1,0,0,0,0|1,0,0]=2 5886 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,1,0,0,0,0|1,0,0]=2 5887 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,1,0,0,0,0|1,0,0]=2 5888 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [0,1,0,0,0,0|2,0,0]=3 5889 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [0,1,0,0,0,0|2,0,0]=3 5890 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [0,1,0,0,0,0|2,0,0]=3 5891 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [0,1,0,0,0,0|2,0,0]=3 5892 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [0,1,0,0,0,0|2,0,0]=3 5893 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [0,1,0,0,0,0|2,0,0]=3 5894 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [0,1,0,0,0,0|2,0,0]=3 5895 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [0,1,0,0,0,0|2,0,0]=3 5896 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [0,1,0,0,0,0|2,0,0]=3 5897 B13R1.28 CNCCCOCc1ccccn1 34a_100000213112_100000721315 [0,1,0,0,0,0|3,0,0]=4 5898 B13R1.28 CNCCCOCc1cccnc1 34a_100000213112_100000733263 [0,1,0,0,0,0|3,0,0]=4 5899 B13R1.28 COCCCC#Cc1ccccc1 34a_100011217234_200000210301 [0,1,0,0,0,0|0,0,2]=3 5900 B13R1.28 COCCCC#Cc1ccccc1 7a_100011217234_200000210301 [0,1,0,0,0,0|0,0,2]=3 5901 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,1,0,0,0,0|0,0,0]=1 5902 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,1,0,0,0,0|0,0,0]=1 5903 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,1,0,0,0,0|0,0,0]=1 5904 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [0,1,0,0,0,0|1,0,0]=2 5905 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [0,1,0,0,0,0|1,0,0]=2 5906 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [0,1,0,0,0,0|1,0,0]=2 5907 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [0,1,0,0,0,0|1,0,0]=2 5908 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [0,1,0,0,0,0|1,0,0]=2 5909 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [0,1,0,0,0,0|1,0,0]=2 5910 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [0,1,0,0,0,0|2,0,0]=3 5911 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [0,1,0,0,0,0|2,0,0]=3 5912 B13R1.28 COCCCCOc1ccncc1 34a_100000212176_100000755781 [0,1,0,0,0,0|2,0,0]=3 5913 B13R1.28 COCCCCOc1ccnnc1 34a_100015204005_100000755781 [0,1,0,0,0,0|3,0,0]=4 5914 B13R1.28 COCCCCOc1cncnc1 7a_100000754086_100000730899 [0,1,0,0,0,0|3,0,0]=4 5915 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [0,1,0,0,0,0|1,0,0]=2 5916 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [0,1,0,0,0,0|1,0,0]=2 5917 B13R1.28 COCCCCSc1ccccn1 62a_100000730899_100011216584 [0,1,0,0,0,0|2,0,0]=3 5918 B13R1.28 COCCCCSc1ccccn1 62a_100011216584_100000730899 [0,1,0,0,0,0|2,0,0]=3 5919 B13R1.28 COCCCCSc1cccnc1 62a_100000210063_100000730899 [0,1,0,0,0,0|2,0,0]=3 5920 B13R1.28 COCCCCSc1cccnc1 62a_100000730899_100000210063 [0,1,0,0,0,0|2,0,0]=3 5921 B13R1.28 COCCCCSc1cccnn1 62a_100000730899_100016991348 [0,1,0,0,0,0|3,0,0]=4 5922 B13R1.28 COCCCCSc1cccnn1 62a_100016991348_100000730899 [0,1,0,0,0,0|3,0,0]=4 5923 B13R1.28 COCCCCSc1ccncc1 62a_100000728582_100000730899 [0,1,0,0,0,0|2,0,0]=3 5924 B13R1.28 COCCCCSc1ccncc1 62a_100000730899_100000728582 [0,1,0,0,0,0|2,0,0]=3 5925 B13R1.28 COCCCCSc1ccncn1 62a_100000703185_100000730899 [0,1,0,0,0,0|3,0,0]=4 5926 B13R1.28 COCCCCSc1ccncn1 62a_100000730899_100000703185 [0,1,0,0,0,0|3,0,0]=4 5927 B13R1.28 COCCCCSc1ccnnc1 62a_100000730899_100000732662 [0,1,0,0,0,0|3,0,0]=4 5928 B13R1.28 COCCCCSc1ccnnc1 62a_100000732662_100000730899 [0,1,0,0,0,0|3,0,0]=4 5929 B13R1.28 COCCCCSc1cnccn1 62a_100000211759_100000730899 [0,1,0,0,0,0|3,0,0]=4 5930 B13R1.28 COCCCCSc1cnccn1 62a_100000730899_100000211759 [0,1,0,0,0,0|3,0,0]=4 5931 B13R1.28 COCCCCSc1cncnc1 62a_100000730899_100011206942 [0,1,0,0,0,0|3,0,0]=4 5932 B13R1.28 COCCCCSc1cncnc1 62a_100011206942_100000730899 [0,1,0,0,0,0|3,0,0]=4 5933 B13R1.28 COCCCCSc1ncccn1 62a_100000211032_100000730899 [0,1,0,0,0,0|3,0,0]=4 5934 B13R1.28 COCCCCSc1ncccn1 62a_100000730899_100000211032 [0,1,0,0,0,0|3,0,0]=4 5935 B13R1.28 COCCCNCc1ccccc1 207a_100150723488_100015611070 [0,1,0,0,0,0|1,0,0]=2 5936 B13R1.28 COCCCNCc1ccccc1 2230a_100015324214_100000740836 [0,1,0,0,0,0|1,0,0]=2 5937 B13R1.28 COCCCNCc1ccccc1 270004a_100150723488_100015611070 [0,1,0,0,0,0|1,0,0]=2 5938 B13R1.28 COCCCNCc1ccccc1 34a_100000185501_200000210301 [0,1,0,0,0,0|1,0,0]=2 5939 B13R1.28 COCCCNCc1ccccc1 34a_100015324214_100000740836 [0,1,0,0,0,0|1,0,0]=2 5940 B13R1.28 COCCCNCc1ccccc1 34a_100150723488_100015291786 [0,1,0,0,0,0|1,0,0]=2 5941 B13R1.28 COCCCNCc1ccccn1 207a_100150723488_100000209966 [0,1,0,0,0,0|2,0,0]=3 5942 B13R1.28 COCCCNCc1ccccn1 270004a_100150723488_100000209966 [0,1,0,0,0,0|2,0,0]=3 5943 B13R1.28 COCCCNCc1ccccn1 34a_100150723488_100000721315 [0,1,0,0,0,0|2,0,0]=3 5944 B13R1.28 COCCCNCc1cccnc1 207a_100150723488_100000209961 [0,1,0,0,0,0|2,0,0]=3 5945 B13R1.28 COCCCNCc1cccnc1 270004a_100150723488_100000209961 [0,1,0,0,0,0|2,0,0]=3 5946 B13R1.28 COCCCNCc1cccnc1 34a_100150723488_100000733263 [0,1,0,0,0,0|2,0,0]=3 5947 B13R1.28 COCCCNCc1cccnn1 2230a_100159270163_100000740836 [0,1,0,0,0,0|3,0,0]=4 5948 B13R1.28 COCCCNCc1cccnn1 34a_100150723488_100016990269 [0,1,0,0,0,0|3,0,0]=4 5949 B13R1.28 COCCCNCc1ccncc1 207a_100150723488_100000186114 [0,1,0,0,0,0|2,0,0]=3 5950 B13R1.28 COCCCNCc1ccnnc1 270004a_100150723488_100011934578 [0,1,0,0,0,0|3,0,0]=4 5951 B13R1.28 COCCCNCc1cnccn1 270004a_100150723488_100000749867 [0,1,0,0,0,0|3,0,0]=4 5952 B13R1.28 COCCCNCc1cnccn1 34a_100150723488_100016995436 [0,1,0,0,0,0|3,0,0]=4 5953 B13R1.28 COCCCNCc1cncnc1 2230a_100011243677_100000740836 [0,1,0,0,0,0|3,0,0]=4 5954 B13R1.28 COCCCNCc1cncnc1 270004a_100150723488_100000749868 [0,1,0,0,0,0|3,0,0]=4 5955 B13R1.28 COCCCNCc1cncnc1 34a_100150723488_100015196519 [0,1,0,0,0,0|3,0,0]=4 5956 B13R1.28 COCCCNCc1ncccn1 270004a_100150723488_100011532527 [0,1,0,0,0,0|3,0,0]=4 5957 B13R1.28 COCCCNCc1ncccn1 34a_100150723488_100000703007 [0,1,0,0,0,0|3,0,0]=4 5958 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [0,1,0,0,0,0|1,0,0]=2 5959 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [0,1,0,0,0,0|1,0,0]=2 5960 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [0,1,0,0,0,0|1,0,0]=2 5961 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [0,1,0,0,0,0|1,0,0]=2 5962 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [0,1,0,0,0,0|1,0,0]=2 5963 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [0,1,0,0,0,0|1,0,0]=2 5964 B13R1.28 COCCCOCc1ccccn1 34a_100000740835_100000721315 [0,1,0,0,0,0|2,0,0]=3 5965 B13R1.28 COCCCOCc1cccnc1 34a_100000740835_100000733263 [0,1,0,0,0,0|2,0,0]=3 5966 B13R1.28 COCCCOCc1cccnn1 34a_100000740835_100016990269 [0,1,0,0,0,0|3,0,0]=4 5967 B13R1.28 COCCCOCc1cnccn1 34a_100000740835_100016995436 [0,1,0,0,0,0|3,0,0]=4 5968 B13R1.28 COCCCOCc1cncnc1 34a_100000740835_100015196519 [0,1,0,0,0,0|3,0,0]=4 5969 B13R1.28 COCCCOCc1ncccn1 34a_100000740835_100000703007 [0,1,0,0,0,0|3,0,0]=4 5970 B13R1.28 COCCCSCc1ccccc1 62a_100000211182_100000709357 [0,1,0,0,0,0|1,0,0]=2 5971 B13R1.28 COCCCSCc1ccccc1 62a_100000709357_100015291786 [0,1,0,0,0,0|1,0,0]=2 5972 B13R1.28 COCCCSCc1ccccn1 62a_100000709357_100000721315 [0,1,0,0,0,0|2,0,0]=3 5973 B13R1.28 COCCCSCc1ccccn1 62a_100000721315_100000709357 [0,1,0,0,0,0|2,0,0]=3 5974 B13R1.28 COCCCSCc1cccnc1 62a_100000709357_100000741622 [0,1,0,0,0,0|2,0,0]=3 5975 B13R1.28 COCCCSCc1cccnc1 62a_100000741622_100000709357 [0,1,0,0,0,0|2,0,0]=3 5976 B13R1.28 COCCCSCc1cccnn1 62a_100000709357_100016990269 [0,1,0,0,0,0|3,0,0]=4 5977 B13R1.28 COCCCSCc1cccnn1 62a_100016990269_100000709357 [0,1,0,0,0,0|3,0,0]=4 5978 B13R1.28 COCCCSCc1ccncc1 62a_100000709357_100015193705 [0,1,0,0,0,0|2,0,0]=3 5979 B13R1.28 COCCCSCc1ccncc1 62a_100015193705_100000709357 [0,1,0,0,0,0|2,0,0]=3 5980 B13R1.28 COCCCSCc1cnccn1 62a_100000709357_100016995436 [0,1,0,0,0,0|3,0,0]=4 5981 B13R1.28 COCCCSCc1cnccn1 62a_100016995436_100000709357 [0,1,0,0,0,0|3,0,0]=4 5982 B13R1.28 COCCCSCc1cncnc1 62a_100000709357_100015196519 [0,1,0,0,0,0|3,0,0]=4 5983 B13R1.28 COCCCSCc1cncnc1 62a_100015196519_100000709357 [0,1,0,0,0,0|3,0,0]=4 5984 B13R1.28 COCCCSCc1ncccn1 62a_100000703007_100000709357 [0,1,0,0,0,0|3,0,0]=4 5985 B13R1.28 COCCCSCc1ncccn1 62a_100000709357_100000703007 [0,1,0,0,0,0|3,0,0]=4 5986 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [0,1,0,0,0,0|1,0,0]=2 5987 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [0,1,0,0,0,0|1,0,0]=2 5988 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [0,1,0,0,0,0|1,0,0]=2 5989 B13R1.28 COCCNCCc1ccccn1 2230a_100000209980_100015183660 [0,1,0,0,0,0|2,0,0]=3 5990 B13R1.28 COCCNCCc1cccnc1 2230a_100000209980_200011713674 [0,1,0,0,0,0|2,0,0]=3 5991 B13R1.28 COCCNCCc1cccnc1 2230a_100000736294_100011201679 [0,1,0,0,0,0|2,0,0]=3 5992 B13R1.28 COCCNCCc1ccncc1 2230a_100000209980_100000723409 [0,1,0,0,0,0|2,0,0]=3 5993 B13R1.28 COCCNCSc1ccccc1 2230a_100000209980_100011218342 [0,1,0,0,0,0|2,0,0]=3 5994 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [0,1,0,0,0,0|1,0,0]=2 5995 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [0,1,0,0,0,0|1,0,0]=2 5996 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [0,1,0,0,0,0|1,0,0]=2 5997 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [0,1,0,0,0,0|2,0,0]=3 5998 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [0,1,0,0,0,0|2,0,0]=3 5999 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [0,1,0,0,0,0|2,0,0]=3 6000 B13R1.28 COCCOCCc1cnccn1 34a_100011349526_100011201679 [0,1,0,0,0,0|3,0,0]=4 6001 B13R1.28 COCCOCCc1cncnc1 34a_100011709255_100011201679 [0,1,0,0,0,0|3,0,0]=4 6002 B13R1.28 COCCOCSc1ccccc1 62a_100000231047_100000041952 [0,1,0,0,0,0|2,0,0]=3 6003 B13R1.28 COCCOCSc1ccccc1 62a_100000719477_100000231047 [0,1,0,0,0,0|2,0,0]=3 6004 B13R1.28 COCCOCSc1ccccn1 62a_100000231047_100011216584 [0,1,0,0,0,0|3,0,0]=4 6005 B13R1.28 COCCOCSc1ccccn1 62a_100011216584_100000231047 [0,1,0,0,0,0|3,0,0]=4 6006 B13R1.28 COCCOCSc1cccnc1 62a_100000210063_100000231047 [0,1,0,0,0,0|3,0,0]=4 6007 B13R1.28 COCCOCSc1cccnc1 62a_100000231047_100000210063 [0,1,0,0,0,0|3,0,0]=4 6008 B13R1.28 COCCOCSc1ccncc1 62a_100000231047_100000728582 [0,1,0,0,0,0|3,0,0]=4 6009 B13R1.28 COCCOCSc1ccncc1 62a_100000728582_100000231047 [0,1,0,0,0,0|3,0,0]=4 6010 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [0,1,0,0,0,0|1,0,0]=2 6011 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [0,1,0,0,0,0|1,0,0]=2 6012 B13R1.28 COCCSCCc1ccccn1 34a_100011362645_200000210301 [0,1,0,0,0,0|2,0,0]=3 6013 B13R1.28 COCCSCCc1ccccn1 62a_100000233755_100015183660 [0,1,0,0,0,0|2,0,0]=3 6014 B13R1.28 COCCSCCc1ccccn1 62a_100015183660_100000233755 [0,1,0,0,0,0|2,0,0]=3 6015 B13R1.28 COCCSCCc1ccccn1 7a_100011362645_200000210301 [0,1,0,0,0,0|2,0,0]=3 6016 B13R1.28 COCCSCCc1cccnc1 62a_100000233755_200011713674 [0,1,0,0,0,0|2,0,0]=3 6017 B13R1.28 COCCSCCc1cccnc1 62a_200011713674_100000233755 [0,1,0,0,0,0|2,0,0]=3 6018 B13R1.28 COCCSCCc1ccncc1 34a_200011193335_200000210301 [0,1,0,0,0,0|2,0,0]=3 6019 B13R1.28 COCCSCCc1ccncc1 62a_100000233755_100000723409 [0,1,0,0,0,0|2,0,0]=3 6020 B13R1.28 COCCSCCc1ccncc1 62a_100000723409_100000233755 [0,1,0,0,0,0|2,0,0]=3 6021 B13R1.28 COCCSCCc1ccncc1 7a_200011193335_200000210301 [0,1,0,0,0,0|2,0,0]=3 6022 B13R1.28 COCCSCSc1ccccc1 62a_100000233755_100011218342 [0,1,0,0,0,0|2,0,0]=3 6023 B13R1.28 COCCSCSc1ccccc1 62a_100011218342_100000233755 [0,1,0,0,0,0|2,0,0]=3 6024 B13R1.28 COCNC/C=C/c1ccccc1 2230a_100020603302_100000766300 [0,1,0,0,0,0|1,0,2]=4 6025 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,1,0,0,0,0|1,0,0]=2 6026 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,1,0,0,0,0|2,0,0]=3 6027 B13R1.28 COCNCCCc1ccncc1 2230a_100011275580_100000766300 [0,1,0,0,0,0|2,0,0]=3 6028 B13R1.28 COCNCCOc1ccccc1 2230a_100000174943_100000766300 [0,1,0,0,0,0|2,0,0]=3 6029 B13R1.28 COCNCCOc1ccccn1 2230a_106741647558_100000766300 [0,1,0,0,0,0|3,0,0]=4 6030 B13R1.28 COCNCCOc1cccnc1 2230a_100000754688_100000766300 [0,1,0,0,0,0|3,0,0]=4 6031 B13R1.28 COCNCCSc1ccccc1 2230a_100000189519_100000766300 [0,1,0,0,0,0|2,0,0]=3 6032 B13R1.28 COCSC/C=C/c1ccccc1 62a_100000766300_100016265936 [0,1,0,0,0,0|1,0,2]=4 6033 B13R1.28 COCSC/C=C/c1ccccc1 62a_100016265936_100000766300 [0,1,0,0,0,0|1,0,2]=4 6034 B13R1.28 COCSCC#Cc1ccccc1 62a_100000766300_100011352542 [0,1,0,0,0,0|1,0,2]=4 6035 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,1,0,0,0,0|1,0,0]=2 6036 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,1,0,0,0,0|1,0,0]=2 6037 B13R1.28 COCSCCOc1ccccc1 62a_100000184471_100000766300 [0,1,0,0,0,0|2,0,0]=3 6038 B13R1.28 COCSCCOc1ccccc1 62a_100000766300_100000184471 [0,1,0,0,0,0|2,0,0]=3 6039 B13R1.28 COCSCCSc1ccccc1 62a_100000246102_100000766300 [0,1,0,0,0,0|2,0,0]=3 6040 B13R1.28 COCSCCSc1ccccc1 62a_100000766300_100000246102 [0,1,0,0,0,0|2,0,0]=3 6041 B13R1.28 COCSCOCc1ccccc1 62a_100000763385_100000766300 [0,1,0,0,0,0|2,0,0]=3 6042 B13R1.28 COCSCOCc1ccccc1 62a_100000766300_100000763385 [0,1,0,0,0,0|2,0,0]=3 6043 B13R1.28 COCSCSCc1ccccc1 62a_100000766300_200011217039 [0,1,0,0,0,0|2,0,0]=3 6044 B13R1.28 COCSCSCc1ccccc1 62a_200011217039_100000766300 [0,1,0,0,0,0|2,0,0]=3 6045 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,1,0,0,0,0|0,1,0]=2 6046 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,1,0,0,0,0|0,1,0]=2 6047 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [0,1,0,0,0,0|1,1,0]=3 6048 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [0,1,0,0,0,0|1,1,0]=3 6049 B13R1.28 CSCCCNCc1ccccc1 207a_100000749238_100015611070 [0,1,0,0,0,0|1,1,0]=3 6050 B13R1.28 CSCCCNCc1ccccc1 2230a_100000749238_100015291786 [0,1,0,0,0,0|1,1,0]=3 6051 B13R1.28 CSCCCNCc1ccccc1 270004a_100000749238_100015611070 [0,1,0,0,0,0|1,1,0]=3 6052 B13R1.28 CSCCCNCc1ccccn1 207a_100000749238_100000209966 [0,1,0,0,0,0|2,1,0]=4 6053 B13R1.28 CSCCCNCc1ccccn1 2230a_100000749238_100000721315 [0,1,0,0,0,0|2,1,0]=4 6054 B13R1.28 CSCCCNCc1ccccn1 270004a_100000749238_100000209966 [0,1,0,0,0,0|2,1,0]=4 6055 B13R1.28 CSCCCNCc1cccnc1 207a_100000749238_100000209961 [0,1,0,0,0,0|2,1,0]=4 6056 B13R1.28 CSCCCNCc1cccnc1 2230a_100000749238_100000741622 [0,1,0,0,0,0|2,1,0]=4 6057 B13R1.28 CSCCCNCc1cccnc1 270004a_100000749238_100000209961 [0,1,0,0,0,0|2,1,0]=4 6058 B13R1.28 CSCCCNCc1ccncc1 207a_100000749238_100000186114 [0,1,0,0,0,0|2,1,0]=4 6059 B13R1.28 CSCCCNCc1ccncc1 2230a_100000749238_100015193705 [0,1,0,0,0,0|2,1,0]=4 6060 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [0,1,0,0,0,0|1,1,0]=3 6061 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [0,1,0,0,0,0|1,1,0]=3 6062 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [0,1,0,0,0,0|1,1,0]=3 6063 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [0,1,0,0,0,0|1,1,0]=3 6064 B13R1.28 CSCCCOCc1ccccn1 34a_100000690336_100000721315 [0,1,0,0,0,0|2,1,0]=4 6065 B13R1.28 CSCCCOCc1ccccn1 7a_100000690336_100000721315 [0,1,0,0,0,0|2,1,0]=4 6066 B13R1.28 CSCCCOCc1cccnc1 34a_100000690336_100000733263 [0,1,0,0,0,0|2,1,0]=4 6067 B13R1.28 CSCCCOCc1cccnc1 7a_100000690336_100000741622 [0,1,0,0,0,0|2,1,0]=4 6068 B13R1.28 CSCCCOCc1ccncc1 7a_100000690336_100015193705 [0,1,0,0,0,0|2,1,0]=4 6069 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [0,1,0,0,0,0|1,1,0]=3 6070 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [0,1,0,0,0,0|1,1,0]=3 6071 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [0,1,0,0,0,0|1,1,0]=3 6072 B13R1.28 CSCCNCCc1ccccn1 2230a_100020590264_100015183660 [0,1,0,0,0,0|2,1,0]=4 6073 B13R1.28 CSCCNCCc1cccnc1 2230a_100000736294_100000751147 [0,1,0,0,0,0|2,1,0]=4 6074 B13R1.28 CSCCNCCc1cccnc1 2230a_100020590264_200011713674 [0,1,0,0,0,0|2,1,0]=4 6075 B13R1.28 CSCCNCCc1ccncc1 2230a_100020590264_100000723409 [0,1,0,0,0,0|2,1,0]=4 6076 B13R1.28 CSCCNCSc1ccccc1 2230a_100020590264_100011218342 [0,1,0,0,0,0|2,1,0]=4 6077 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [0,1,0,0,0,0|1,1,0]=3 6078 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [0,1,0,0,0,0|1,1,0]=3 6079 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [0,1,0,0,0,0|1,1,0]=3 6080 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [0,1,0,0,0,0|1,1,0]=3 6081 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [0,1,0,0,0,0|2,1,0]=4 6082 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [0,1,0,0,0,0|2,1,0]=4 6083 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [0,1,0,0,0,0|2,1,0]=4 6084 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [0,1,0,0,0,0|2,1,0]=4 6085 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [0,1,0,0,0,0|2,1,0]=4 6086 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [0,1,0,0,0,0|2,1,0]=4 6087 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [0,1,0,0,0,0|1,1,0]=3 6088 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [0,1,0,0,0,0|1,1,0]=3 6089 B13R1.28 CSCCSCCc1ccccn1 62a_100000212216_100015183660 [0,1,0,0,0,0|2,1,0]=4 6090 B13R1.28 CSCCSCCc1ccccn1 62a_100015183660_100000751147 [0,1,0,0,0,0|2,1,0]=4 6091 B13R1.28 CSCCSCCc1cccnc1 62a_100000212216_200011713674 [0,1,0,0,0,0|2,1,0]=4 6092 B13R1.28 CSCCSCCc1cccnc1 62a_200011713674_100000751147 [0,1,0,0,0,0|2,1,0]=4 6093 B13R1.28 CSCCSCCc1ccncc1 62a_100000212216_100000723409 [0,1,0,0,0,0|2,1,0]=4 6094 B13R1.28 CSCCSCCc1ccncc1 62a_100000723409_100000751147 [0,1,0,0,0,0|2,1,0]=4 6095 B13R1.28 CSCCSCSc1ccccc1 62a_100000212216_100011218342 [0,1,0,0,0,0|2,1,0]=4 6096 B13R1.28 CSCCSCSc1ccccc1 62a_100011218342_100000751147 [0,1,0,0,0,0|2,1,0]=4 6097 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,1,0,0,0,0|1,1,0]=3 6098 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,1,0,0,0,0|1,1,0]=3 6099 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,1,0,0,0,0|2,1,0]=4 6100 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,1,0,0,0,0|2,1,0]=4 6101 B13R1.28 CSCNCCCc1ccncc1 2230a_100011275580_100011218213 [0,1,0,0,0,0|2,1,0]=4 6102 B13R1.28 CSCNCCOc1ccccc1 2230a_100000174943_100011218213 [0,1,0,0,0,0|2,1,0]=4 6103 B13R1.28 CSCNCCOc1ccccc1 34a_100000174943_100011218213 [0,1,0,0,0,0|2,1,0]=4 6104 B13R1.28 CSCNCCSc1ccccc1 2230a_100000189519_100011218213 [0,1,0,0,0,0|2,1,0]=4 6105 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,1,0,0,0,0|1,1,0]=3 6106 B13R1.28 CSCOCCCc1ccccn1 34a_100011215068_100011218213 [0,1,0,0,0,0|2,1,0]=4 6107 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [0,1,0,0,0,0|2,1,0]=4 6108 B13R1.28 CSCOCCCc1ccncc1 34a_100000210659_100011218213 [0,1,0,0,0,0|2,1,0]=4 6109 B13R1.28 CSCOCCNc1ccccc1 34a_100000211345_100011218213 [0,1,0,0,0,0|2,1,0]=4 6110 B13R1.28 CSCOCCOc1ccccc1 34a_100000210260_100011218213 [0,1,0,0,0,0|2,1,0]=4 6111 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,1,0,0,0,0|1,1,0]=3 6112 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,1,0,0,0,0|1,1,0]=3 6113 B13R1.28 CSCSCCOc1ccccc1 62a_100000184471_100011218213 [0,1,0,0,0,0|2,1,0]=4 6114 B13R1.28 CSCSCCOc1ccccc1 62a_100011218213_100000184471 [0,1,0,0,0,0|2,1,0]=4 6115 B13R1.28 CSCSCCSc1ccccc1 62a_100000246102_100011218213 [0,1,0,0,0,0|2,1,0]=4 6116 B13R1.28 CSCSCCSc1ccccc1 62a_100011218213_100000246102 [0,1,0,0,0,0|2,1,0]=4 6117 B13R1.28 CSCSCOCc1ccccc1 62a_100000763385_100011218213 [0,1,0,0,0,0|2,1,0]=4 6118 B13R1.28 CSCSCOCc1ccccc1 62a_100011218213_100000763385 [0,1,0,0,0,0|2,1,0]=4 6119 B13R1.28 CSCSCSCc1ccccc1 62a_100011218213_200011217039 [0,1,0,0,0,0|2,1,0]=4 6120 B13R1.28 CSCSCSCc1ccccc1 62a_200011217039_100011218213 [0,1,0,0,0,0|2,1,0]=4 6121 B13R1.28 ClCC#CCOCc1ccccc1 34a_200000047223_100015291786 [0,1,0,0,0,0|1,0,2]=4 6122 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [0,1,0,0,0,0|1,0,0]=2 6123 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [0,1,0,0,0,0|1,0,0]=2 6124 B13R1.28 ClCCCCOCc1ccccn1 34a_100000210776_100000721315 [0,1,0,0,0,0|2,0,0]=3 6125 B13R1.28 ClCCCCOCc1ccccn1 7a_100000210776_100000721315 [0,1,0,0,0,0|2,0,0]=3 6126 B13R1.28 ClCCCCOCc1cccnc1 34a_100000210776_100000733263 [0,1,0,0,0,0|2,0,0]=3 6127 B13R1.28 ClCCCCOCc1cccnc1 7a_100000210776_100000741622 [0,1,0,0,0,0|2,0,0]=3 6128 B13R1.28 ClCCCCOCc1cccnn1 34a_100000210776_100016990269 [0,1,0,0,0,0|3,0,0]=4 6129 B13R1.28 ClCCCCOCc1cccnn1 7a_100000210776_100016990269 [0,1,0,0,0,0|3,0,0]=4 6130 B13R1.28 ClCCCCOCc1ccncc1 7a_100000210776_100015193705 [0,1,0,0,0,0|2,0,0]=3 6131 B13R1.28 ClCCCCOCc1cnccn1 34a_100000210776_100016995436 [0,1,0,0,0,0|3,0,0]=4 6132 B13R1.28 ClCCCCOCc1cnccn1 7a_100000210776_100016995436 [0,1,0,0,0,0|3,0,0]=4 6133 B13R1.28 ClCCCCOCc1cncnc1 34a_100000210776_100015196519 [0,1,0,0,0,0|3,0,0]=4 6134 B13R1.28 ClCCCCOCc1cncnc1 7a_100000210776_100015196519 [0,1,0,0,0,0|3,0,0]=4 6135 B13R1.28 ClCCCCOCc1ncccn1 34a_100000210776_100000703007 [0,1,0,0,0,0|3,0,0]=4 6136 B13R1.28 ClCCCCOCc1ncccn1 7a_100000210776_100000703007 [0,1,0,0,0,0|3,0,0]=4 6137 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [0,1,0,0,0,0|1,0,0]=2 6138 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [0,1,0,0,0,0|1,0,0]=2 6139 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [0,1,0,0,0,0|1,0,0]=2 6140 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [0,1,0,0,0,0|1,0,0]=2 6141 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [0,1,0,0,0,0|2,0,0]=3 6142 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [0,1,0,0,0,0|2,0,0]=3 6143 B13R1.28 FCCCCCOc1ccncc1 34a_100000212176_100000729378 [0,1,0,0,0,0|2,0,0]=3 6144 B13R1.28 FCCCCCOc1ccnnc1 34a_100015204005_100000729378 [0,1,0,0,0,0|3,0,0]=4 6145 B13R1.28 FCCCCCOc1cncnc1 7a_100000754086_100000729378 [0,1,0,0,0,0|3,0,0]=4 6146 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [0,1,0,0,0,0|1,0,0]=2 6147 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [0,1,0,0,0,0|1,0,0]=2 6148 B13R1.28 FCCCCCSc1ccccn1 62a_100000729378_100011216584 [0,1,0,0,0,0|2,0,0]=3 6149 B13R1.28 FCCCCCSc1ccccn1 62a_100011216584_100000729378 [0,1,0,0,0,0|2,0,0]=3 6150 B13R1.28 FCCCCCSc1cccnc1 62a_100000210063_100000729378 [0,1,0,0,0,0|2,0,0]=3 6151 B13R1.28 FCCCCCSc1cccnc1 62a_100000729378_100000210063 [0,1,0,0,0,0|2,0,0]=3 6152 B13R1.28 FCCCCCSc1cccnn1 62a_100000729378_100016991348 [0,1,0,0,0,0|3,0,0]=4 6153 B13R1.28 FCCCCCSc1cccnn1 62a_100016991348_100000729378 [0,1,0,0,0,0|3,0,0]=4 6154 B13R1.28 FCCCCCSc1ccncc1 62a_100000728582_100000729378 [0,1,0,0,0,0|2,0,0]=3 6155 B13R1.28 FCCCCCSc1ccncc1 62a_100000729378_100000728582 [0,1,0,0,0,0|2,0,0]=3 6156 B13R1.28 FCCCCCSc1ccncn1 62a_100000703185_100000729378 [0,1,0,0,0,0|3,0,0]=4 6157 B13R1.28 FCCCCCSc1ccncn1 62a_100000729378_100000703185 [0,1,0,0,0,0|3,0,0]=4 6158 B13R1.28 FCCCCCSc1ccnnc1 62a_100000729378_100000732662 [0,1,0,0,0,0|3,0,0]=4 6159 B13R1.28 FCCCCCSc1ccnnc1 62a_100000732662_100000729378 [0,1,0,0,0,0|3,0,0]=4 6160 B13R1.28 FCCCCCSc1cnccn1 62a_100000211759_100000729378 [0,1,0,0,0,0|3,0,0]=4 6161 B13R1.28 FCCCCCSc1cnccn1 62a_100000729378_100000211759 [0,1,0,0,0,0|3,0,0]=4 6162 B13R1.28 FCCCCCSc1cncnc1 62a_100000729378_100011206942 [0,1,0,0,0,0|3,0,0]=4 6163 B13R1.28 FCCCCCSc1cncnc1 62a_100011206942_100000729378 [0,1,0,0,0,0|3,0,0]=4 6164 B13R1.28 FCCCCCSc1ncccn1 62a_100000211032_100000729378 [0,1,0,0,0,0|3,0,0]=4 6165 B13R1.28 FCCCCCSc1ncccn1 62a_100000729378_100000211032 [0,1,0,0,0,0|3,0,0]=4 6166 B13R1.28 FCCCCNCc1ccccc1 2230a_100015324214_100000729493 [0,1,0,0,0,0|1,0,0]=2 6167 B13R1.28 FCCCCNCc1ccccc1 34a_100015324214_100000729493 [0,1,0,0,0,0|1,0,0]=2 6168 B13R1.28 FCCCCNCc1cccnn1 2230a_100159270163_100000729493 [0,1,0,0,0,0|3,0,0]=4 6169 B13R1.28 FCCCCNCc1cncnc1 2230a_100011243677_100000729493 [0,1,0,0,0,0|3,0,0]=4 6170 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [0,1,0,0,0,0|1,0,0]=2 6171 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [0,1,0,0,0,0|1,0,0]=2 6172 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [0,1,0,0,0,0|1,0,0]=2 6173 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [0,1,0,0,0,0|1,0,0]=2 6174 B13R1.28 FCCCCOCc1ccccn1 34a_100011995726_100000721315 [0,1,0,0,0,0|2,0,0]=3 6175 B13R1.28 FCCCCOCc1ccccn1 7a_100011995726_100000721315 [0,1,0,0,0,0|2,0,0]=3 6176 B13R1.28 FCCCCOCc1cccnc1 34a_100011995726_100000733263 [0,1,0,0,0,0|2,0,0]=3 6177 B13R1.28 FCCCCOCc1cccnc1 7a_100011995726_100000741622 [0,1,0,0,0,0|2,0,0]=3 6178 B13R1.28 FCCCCOCc1cccnn1 34a_100011995726_100016990269 [0,1,0,0,0,0|3,0,0]=4 6179 B13R1.28 FCCCCOCc1cccnn1 7a_100011995726_100016990269 [0,1,0,0,0,0|3,0,0]=4 6180 B13R1.28 FCCCCOCc1ccncc1 7a_100011995726_100015193705 [0,1,0,0,0,0|2,0,0]=3 6181 B13R1.28 FCCCCOCc1cnccn1 34a_100011995726_100016995436 [0,1,0,0,0,0|3,0,0]=4 6182 B13R1.28 FCCCCOCc1cnccn1 7a_100011995726_100016995436 [0,1,0,0,0,0|3,0,0]=4 6183 B13R1.28 FCCCCOCc1cncnc1 34a_100011995726_100015196519 [0,1,0,0,0,0|3,0,0]=4 6184 B13R1.28 FCCCCOCc1cncnc1 7a_100011995726_100015196519 [0,1,0,0,0,0|3,0,0]=4 6185 B13R1.28 FCCCCOCc1ncccn1 34a_100011995726_100000703007 [0,1,0,0,0,0|3,0,0]=4 6186 B13R1.28 FCCCCOCc1ncccn1 7a_100011995726_100000703007 [0,1,0,0,0,0|3,0,0]=4 6187 B13R1.28 FCCCCSCc1ccccc1 62a_100000211182_100000729493 [0,1,0,0,0,0|1,0,0]=2 6188 B13R1.28 FCCCCSCc1ccccc1 62a_100000729493_100015291786 [0,1,0,0,0,0|1,0,0]=2 6189 B13R1.28 FCCCCSCc1ccccn1 62a_100000721315_100000729493 [0,1,0,0,0,0|2,0,0]=3 6190 B13R1.28 FCCCCSCc1ccccn1 62a_100000729493_100000721315 [0,1,0,0,0,0|2,0,0]=3 6191 B13R1.28 FCCCCSCc1cccnc1 62a_100000729493_100000741622 [0,1,0,0,0,0|2,0,0]=3 6192 B13R1.28 FCCCCSCc1cccnc1 62a_100000741622_100000729493 [0,1,0,0,0,0|2,0,0]=3 6193 B13R1.28 FCCCCSCc1cccnn1 62a_100000729493_100016990269 [0,1,0,0,0,0|3,0,0]=4 6194 B13R1.28 FCCCCSCc1cccnn1 62a_100016990269_100000729493 [0,1,0,0,0,0|3,0,0]=4 6195 B13R1.28 FCCCCSCc1ccncc1 62a_100000729493_100015193705 [0,1,0,0,0,0|2,0,0]=3 6196 B13R1.28 FCCCCSCc1ccncc1 62a_100015193705_100000729493 [0,1,0,0,0,0|2,0,0]=3 6197 B13R1.28 FCCCCSCc1cnccn1 62a_100000729493_100016995436 [0,1,0,0,0,0|3,0,0]=4 6198 B13R1.28 FCCCCSCc1cnccn1 62a_100016995436_100000729493 [0,1,0,0,0,0|3,0,0]=4 6199 B13R1.28 FCCCCSCc1cncnc1 62a_100000729493_100015196519 [0,1,0,0,0,0|3,0,0]=4 6200 B13R1.28 FCCCCSCc1cncnc1 62a_100015196519_100000729493 [0,1,0,0,0,0|3,0,0]=4 6201 B13R1.28 FCCCCSCc1ncccn1 62a_100000703007_100000729493 [0,1,0,0,0,0|3,0,0]=4 6202 B13R1.28 FCCCCSCc1ncccn1 62a_100000729493_100000703007 [0,1,0,0,0,0|3,0,0]=4 6203 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [0,1,0,0,0,0|1,0,0]=2 6204 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [0,1,0,0,0,0|1,0,0]=2 6205 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [0,1,0,0,0,0|1,0,0]=2 6206 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [0,1,0,0,0,0|1,0,0]=2 6207 B13R1.28 FCCCNCCc1ccccn1 2230a_100015189416_100015183660 [0,1,0,0,0,0|2,0,0]=3 6208 B13R1.28 FCCCNCCc1cccnc1 2230a_100000736294_100011934791 [0,1,0,0,0,0|2,0,0]=3 6209 B13R1.28 FCCCNCCc1cccnc1 2230a_100015189416_200011713674 [0,1,0,0,0,0|2,0,0]=3 6210 B13R1.28 FCCCNCCc1ccncc1 2230a_100015189416_100000723409 [0,1,0,0,0,0|2,0,0]=3 6211 B13R1.28 FCCCNCSc1ccccc1 2230a_100015189416_100011218342 [0,1,0,0,0,0|2,0,0]=3 6212 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [0,1,0,0,0,0|1,0,0]=2 6213 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [0,1,0,0,0,0|1,0,0]=2 6214 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [0,1,0,0,0,0|1,0,0]=2 6215 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [0,1,0,0,0,0|2,0,0]=3 6216 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [0,1,0,0,0,0|2,0,0]=3 6217 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [0,1,0,0,0,0|2,0,0]=3 6218 B13R1.28 FCCCOCCc1cnccn1 34a_100011349526_100011934791 [0,1,0,0,0,0|3,0,0]=4 6219 B13R1.28 FCCCOCCc1cncnc1 34a_100011709255_100011934791 [0,1,0,0,0,0|3,0,0]=4 6220 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [0,1,0,0,0,0|1,0,0]=2 6221 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [0,1,0,0,0,0|1,0,0]=2 6222 B13R1.28 FCCCSCCc1ccccn1 62a_100011934791_100015183660 [0,1,0,0,0,0|2,0,0]=3 6223 B13R1.28 FCCCSCCc1ccccn1 62a_100015183660_100011934791 [0,1,0,0,0,0|2,0,0]=3 6224 B13R1.28 FCCCSCCc1cccnc1 62a_100011934791_200011713674 [0,1,0,0,0,0|2,0,0]=3 6225 B13R1.28 FCCCSCCc1cccnc1 62a_200011713674_100011934791 [0,1,0,0,0,0|2,0,0]=3 6226 B13R1.28 FCCCSCCc1ccncc1 62a_100000723409_100011934791 [0,1,0,0,0,0|2,0,0]=3 6227 B13R1.28 FCCCSCCc1ccncc1 62a_100011934791_100000723409 [0,1,0,0,0,0|2,0,0]=3 6228 B13R1.28 FCCCSCSc1ccccc1 62a_100011218342_100011934791 [0,1,0,0,0,0|2,0,0]=3 6229 B13R1.28 FCCCSCSc1ccccc1 62a_100011934791_100011218342 [0,1,0,0,0,0|2,0,0]=3 6230 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [0,1,0,0,0,0|1,0,2]=4 6231 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [0,1,0,0,0,0|1,0,2]=4 6232 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [0,1,0,0,0,0|1,0,2]=4 6233 B13R1.28 FCCNCC#Cc1ccccc1 34a_100000724931_100011352542 [0,1,0,0,0,0|1,0,2]=4 6234 B13R1.28 FCCNCC#Cc1ccccc1 34a_100000735379_100011217306 [0,1,0,0,0,0|1,0,2]=4 6235 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,1,0,0,0,0|1,0,0]=2 6236 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,1,0,0,0,0|1,0,0]=2 6237 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,1,0,0,0,0|1,0,0]=2 6238 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,1,0,0,0,0|2,0,0]=3 6239 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,1,0,0,0,0|2,0,0]=3 6240 B13R1.28 FCCNCCCc1ccncc1 2230a_100011275580_100011217306 [0,1,0,0,0,0|2,0,0]=3 6241 B13R1.28 FCCNCCOc1ccccc1 2230a_100000174943_100011217306 [0,1,0,0,0,0|2,0,0]=3 6242 B13R1.28 FCCNCCOc1ccccc1 34a_100000174943_100011217306 [0,1,0,0,0,0|2,0,0]=3 6243 B13R1.28 FCCNCCOc1ccccc1 34a_100000724931_100000184471 [0,1,0,0,0,0|2,0,0]=3 6244 B13R1.28 FCCNCCOc1ccccn1 2230a_106741647558_100011217306 [0,1,0,0,0,0|3,0,0]=4 6245 B13R1.28 FCCNCCOc1cccnc1 2230a_100000754688_100011217306 [0,1,0,0,0,0|3,0,0]=4 6246 B13R1.28 FCCNCCSc1ccccc1 2230a_100000189519_100011217306 [0,1,0,0,0,0|2,0,0]=3 6247 B13R1.28 FCCNCCSc1ccccc1 34a_100000724931_100000246102 [0,1,0,0,0,0|2,0,0]=3 6248 B13R1.28 FCCNCOCc1ccccc1 34a_100000724931_100000763385 [0,1,0,0,0,0|2,0,0]=3 6249 B13R1.28 FCCNCSCc1ccccc1 34a_100000724931_200011217039 [0,1,0,0,0,0|2,0,0]=3 6250 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [0,1,0,0,0,0|1,0,2]=4 6251 B13R1.28 FCCOCC#Cc1ccccc1 34a_100011217464_100011217306 [0,1,0,0,0,0|1,0,2]=4 6252 B13R1.28 FCCOCC#Cc1ccccc1 7a_100011217464_100011217306 [0,1,0,0,0,0|1,0,2]=4 6253 B13R1.28 FCCOCCCC1=CCC=CC1 34a_100020667889_100011217306 [0,1,0,0,0,0|1,0,2]=4 6254 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,1,0,0,0,0|1,0,0]=2 6255 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,1,0,0,0,0|1,0,0]=2 6256 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [0,1,0,0,0,0|2,0,0]=3 6257 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [0,1,0,0,0,0|2,0,0]=3 6258 B13R1.28 FCCOCCCc1ccncc1 34a_100000210659_100011217306 [0,1,0,0,0,0|2,0,0]=3 6259 B13R1.28 FCCOCCNc1ccccc1 34a_100000211345_100011217306 [0,1,0,0,0,0|2,0,0]=3 6260 B13R1.28 FCCOCCNc1ccncc1 34a_200011243140_100011217306 [0,1,0,0,0,0|3,0,0]=4 6261 B13R1.28 FCCOCCOc1ccccc1 34a_100000210260_100011217306 [0,1,0,0,0,0|2,0,0]=3 6262 B13R1.28 FCCOCCOc1ccccc1 7a_100000210260_100011217306 [0,1,0,0,0,0|2,0,0]=3 6263 B13R1.28 FCCOCCSc1ccccc1 7a_100000230494_100011217306 [0,1,0,0,0,0|2,0,0]=3 6264 B13R1.28 FCCOCCSc1ccccn1 7a_100000156319_100011217306 [0,1,0,0,0,0|3,0,0]=4 6265 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [0,1,0,0,0,0|1,0,2]=4 6266 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [0,1,0,0,0,0|1,0,2]=4 6267 B13R1.28 FCCSCC#Cc1ccccc1 62a_100011217306_100011352542 [0,1,0,0,0,0|1,0,2]=4 6268 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,1,0,0,0,0|1,0,0]=2 6269 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,1,0,0,0,0|1,0,0]=2 6270 B13R1.28 FCCSCCOc1ccccc1 62a_100000184471_100011217306 [0,1,0,0,0,0|2,0,0]=3 6271 B13R1.28 FCCSCCOc1ccccc1 62a_100011217306_100000184471 [0,1,0,0,0,0|2,0,0]=3 6272 B13R1.28 FCCSCCSc1ccccc1 62a_100000246102_100011217306 [0,1,0,0,0,0|2,0,0]=3 6273 B13R1.28 FCCSCCSc1ccccc1 62a_100011217306_100000246102 [0,1,0,0,0,0|2,0,0]=3 6274 B13R1.28 FCCSCOCc1ccccc1 62a_100000763385_100011217306 [0,1,0,0,0,0|2,0,0]=3 6275 B13R1.28 FCCSCOCc1ccccc1 62a_100011217306_100000763385 [0,1,0,0,0,0|2,0,0]=3 6276 B13R1.28 FCCSCSCc1ccccc1 62a_100011217306_200011217039 [0,1,0,0,0,0|2,0,0]=3 6277 B13R1.28 FCCSCSCc1ccccc1 62a_200011217039_100011217306 [0,1,0,0,0,0|2,0,0]=3 6278 B13R1.28 FCNCCCCc1ccccc1 34a_100015280158_100015361967 [0,1,0,0,0,0|1,0,0]=2 6279 B13R1.28 FCNCCCOc1ccccc1 34a_100000216521_100015361967 [0,1,0,0,0,0|2,0,0]=3 6280 B13R1.28 FCNCCOCc1ccccc1 34a_100000753106_100015361967 [0,1,0,0,0,0|2,0,0]=3 6281 B13R1.28 FCNCCSCc1ccccc1 34a_100000189534_100015361967 [0,1,0,0,0,0|2,0,0]=3 6282 B13R1.28 FCNCCSCc1ccccc1 7a_100000189534_100015361967 [0,1,0,0,0,0|2,0,0]=3 6283 B13R1.28 FCOCCC#Cc1ccccc1 34a_100000760064_100015361967 [0,1,0,0,0,0|1,0,2]=4 6284 B13R1.28 FCOCCC#Cc1ccccc1 7a_100000760064_100015361967 [0,1,0,0,0,0|1,0,2]=4 6285 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [0,1,0,0,0,0|1,0,0]=2 6286 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [0,1,0,0,0,0|1,0,0]=2 6287 B13R1.28 FCOCCCCc1ccccn1 34a_100012186994_100015361967 [0,1,0,0,0,0|2,0,0]=3 6288 B13R1.28 FCOCCCCc1cccnc1 34a_100012039607_100015361967 [0,1,0,0,0,0|2,0,0]=3 6289 B13R1.28 FCOCCCCc1cccnc1 7a_100012039607_100015361967 [0,1,0,0,0,0|2,0,0]=3 6290 B13R1.28 FCOCCCCc1ccncc1 34a_100011787716_100015361967 [0,1,0,0,0,0|2,0,0]=3 6291 B13R1.28 FCOCCCNc1ccccc1 34a_100000212590_100015361967 [0,1,0,0,0,0|2,0,0]=3 6292 B13R1.28 FCOCCCOc1ccccc1 34a_100011215863_100015361967 [0,1,0,0,0,0|2,0,0]=3 6293 B13R1.28 FCOCCCOc1ccccc1 7a_100011215863_100015361967 [0,1,0,0,0,0|2,0,0]=3 6294 B13R1.28 FCOCCNCc1ccccc1 34a_100000180844_100015361967 [0,1,0,0,0,0|2,0,0]=3 6295 B13R1.28 FCOCCOCc1ccccc1 34a_100000759325_100015361967 [0,1,0,0,0,0|2,0,0]=3 6296 B13R1.28 FCOCCOCc1ccccc1 7a_100000759325_100015361967 [0,1,0,0,0,0|2,0,0]=3 6297 B13R1.28 FCOCCSCc1ccccc1 34a_100011205989_100015361967 [0,1,0,0,0,0|2,0,0]=3 6298 B13R1.28 FCOCCSCc1ccccc1 7a_100011205989_100015361967 [0,1,0,0,0,0|2,0,0]=3 6299 B13R1.28 FCSCCCCc1ccccc1 62a_100000701786_100015361967 [0,1,0,0,0,0|1,0,0]=2 6300 B13R1.28 FCSCCCCc1ccccc1 62a_100015361967_100000701786 [0,1,0,0,0,0|1,0,0]=2 6301 B13R1.28 FCSCCCCc1ccncc1 62a_100015361967_100020630000 [0,1,0,0,0,0|2,0,0]=3 6302 B13R1.28 FCSCCCCc1ccncc1 62a_100020630000_100015361967 [0,1,0,0,0,0|2,0,0]=3 6303 B13R1.28 FCSCCCOc1ccccc1 62a_100000199009_100015361967 [0,1,0,0,0,0|2,0,0]=3 6304 B13R1.28 FCSCCCOc1ccccc1 62a_100015361967_100000199009 [0,1,0,0,0,0|2,0,0]=3 6305 B13R1.28 FCSCCCSc1ccccc1 62a_100015361967_200011203293 [0,1,0,0,0,0|2,0,0]=3 6306 B13R1.28 FCSCCCSc1ccccc1 62a_200011203293_100015361967 [0,1,0,0,0,0|2,0,0]=3 6307 B13R1.28 FCSCCOCc1ccccc1 62a_100000234347_100015361967 [0,1,0,0,0,0|2,0,0]=3 6308 B13R1.28 FCSCCOCc1ccccc1 62a_100015361967_100000234347 [0,1,0,0,0,0|2,0,0]=3 6309 B13R1.28 FCSCCSCc1ccccc1 62a_100015361967_200011297719 [0,1,0,0,0,0|2,0,0]=3 6310 B13R1.28 FCSCCSCc1ccccc1 62a_200011297719_100015361967 [0,1,0,0,0,0|2,0,0]=3 6311 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [0,1,0,0,0,0|1,0,0]=2 6312 B13R1.28 ICCCCOCc1ccccn1 34a_200012148704_100000721315 [0,1,0,0,0,0|2,0,0]=3 6313 B13R1.28 ICCCCOCc1cccnc1 34a_200012148704_100000733263 [0,1,0,0,0,0|2,0,0]=3 6314 B13R1.28 ICCCCOCc1cccnn1 34a_200012148704_100016990269 [0,1,0,0,0,0|3,0,0]=4 6315 B13R1.28 ICCCCOCc1cnccn1 34a_200012148704_100016995436 [0,1,0,0,0,0|3,0,0]=4 6316 B13R1.28 ICCCCOCc1cncnc1 34a_200012148704_100015196519 [0,1,0,0,0,0|3,0,0]=4 6317 B13R1.28 ICCCCOCc1ncccn1 34a_200012148704_100000703007 [0,1,0,0,0,0|3,0,0]=4 6318 B13R1.28 N#CCCCCOc1ccccc1 7a_100000210340_100000211819 [0,1,0,0,0,0|1,0,1]=3 6319 B13R1.28 N#CCCCCOc1cccnc1 7a_100000210849_100000211819 [0,1,0,0,0,0|2,0,1]=4 6320 B13R1.28 N#CCCCCSc1ccccc1 62a_100000719477_100000211819 [0,1,0,0,0,0|1,0,1]=3 6321 B13R1.28 N#CCCCCSc1ccccc1 62a_100011219923_100000041952 [0,1,0,0,0,0|1,0,1]=3 6322 B13R1.28 N#CCCCCSc1ccccn1 62a_100011216584_100000211819 [0,1,0,0,0,0|2,0,1]=4 6323 B13R1.28 N#CCCCCSc1ccccn1 62a_100011219923_100011216584 [0,1,0,0,0,0|2,0,1]=4 6324 B13R1.28 N#CCCCCSc1cccnc1 62a_100000210063_100000211819 [0,1,0,0,0,0|2,0,1]=4 6325 B13R1.28 N#CCCCCSc1cccnc1 62a_100011219923_100000210063 [0,1,0,0,0,0|2,0,1]=4 6326 B13R1.28 N#CCCCCSc1ccncc1 62a_100000728582_100000211819 [0,1,0,0,0,0|2,0,1]=4 6327 B13R1.28 N#CCCCCSc1ccncc1 62a_100011219923_100000728582 [0,1,0,0,0,0|2,0,1]=4 6328 B13R1.28 N#CCCCNCc1ccccc1 2230a_100015324214_100000687738 [0,1,0,0,0,0|1,0,1]=3 6329 B13R1.28 N#CCCCOCc1ccccc1 7a_100000210790_100000687738 [0,1,0,0,0,0|1,0,1]=3 6330 B13R1.28 N#CCCCSCc1ccccc1 62a_100000211182_100000687738 [0,1,0,0,0,0|1,0,1]=3 6331 B13R1.28 N#CCCCSCc1ccccc1 62a_100000687738_100015291786 [0,1,0,0,0,0|1,0,1]=3 6332 B13R1.28 N#CCCCSCc1ccccn1 62a_100000687738_100000721315 [0,1,0,0,0,0|2,0,1]=4 6333 B13R1.28 N#CCCCSCc1ccccn1 62a_100000721315_100000687738 [0,1,0,0,0,0|2,0,1]=4 6334 B13R1.28 N#CCCCSCc1cccnc1 62a_100000687738_100000741622 [0,1,0,0,0,0|2,0,1]=4 6335 B13R1.28 N#CCCCSCc1cccnc1 62a_100000741622_100000687738 [0,1,0,0,0,0|2,0,1]=4 6336 B13R1.28 N#CCCCSCc1ccncc1 62a_100000687738_100015193705 [0,1,0,0,0,0|2,0,1]=4 6337 B13R1.28 N#CCCCSCc1ccncc1 62a_100015193705_100000687738 [0,1,0,0,0,0|2,0,1]=4 6338 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [0,1,0,0,0,0|1,0,1]=3 6339 B13R1.28 N#CCCNCCc1cccnc1 2230a_100000736294_100011215226 [0,1,0,0,0,0|2,0,1]=4 6340 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [0,1,0,0,0,0|1,0,1]=3 6341 B13R1.28 N#CCCSCCc1ccccc1 62a_100000765856_100011215226 [0,1,0,0,0,0|1,0,1]=3 6342 B13R1.28 N#CCCSCCc1ccccc1 62a_100011215226_100011218657 [0,1,0,0,0,0|1,0,1]=3 6343 B13R1.28 N#CCCSCCc1ccccn1 62a_100011215226_100015183660 [0,1,0,0,0,0|2,0,1]=4 6344 B13R1.28 N#CCCSCCc1ccccn1 62a_100015183660_100011215226 [0,1,0,0,0,0|2,0,1]=4 6345 B13R1.28 N#CCCSCCc1cccnc1 62a_100011215226_200011713674 [0,1,0,0,0,0|2,0,1]=4 6346 B13R1.28 N#CCCSCCc1cccnc1 62a_200011713674_100011215226 [0,1,0,0,0,0|2,0,1]=4 6347 B13R1.28 N#CCCSCCc1ccncc1 62a_100000723409_100011215226 [0,1,0,0,0,0|2,0,1]=4 6348 B13R1.28 N#CCCSCCc1ccncc1 62a_100011215226_100000723409 [0,1,0,0,0,0|2,0,1]=4 6349 B13R1.28 N#CCCSCSc1ccccc1 62a_100011215226_100011218342 [0,1,0,0,0,0|2,0,1]=4 6350 B13R1.28 N#CCCSCSc1ccccc1 62a_100011218342_100011215226 [0,1,0,0,0,0|2,0,1]=4 6351 B13R1.28 N#CCNCCCc1ccccc1 2230a_100000211184_100011215382 [0,1,0,0,0,0|1,0,1]=3 6352 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [0,1,0,0,0,0|2,0,1]=4 6353 B13R1.28 N#CCNCCCc1ccncc1 2230a_100011275580_100011215382 [0,1,0,0,0,0|2,0,1]=4 6354 B13R1.28 N#CCNCCOc1ccccc1 2230a_100000174943_100011215382 [0,1,0,0,0,0|2,0,1]=4 6355 B13R1.28 N#CCNCCSc1ccccc1 2230a_100000189519_100011215382 [0,1,0,0,0,0|2,0,1]=4 6356 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [0,1,0,0,0,0|1,0,1]=3 6357 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210260_100011215382 [0,1,0,0,0,0|2,0,1]=4 6358 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210340_200000047693 [0,1,0,0,0,0|2,0,1]=4 6359 B13R1.28 N#CCOCCSc1ccccc1 62a_100000719477_200000047693 [0,1,0,0,0,0|2,0,1]=4 6360 B13R1.28 N#CCOCCSc1ccccc1 62a_200000047693_100000041952 [0,1,0,0,0,0|2,0,1]=4 6361 B13R1.28 N#CCOCCSc1ccccc1 7a_100000230494_100011215382 [0,1,0,0,0,0|2,0,1]=4 6362 B13R1.28 N#CCSCCCc1ccccc1 62a_100000211621_100011215382 [0,1,0,0,0,0|1,0,1]=3 6363 B13R1.28 N#CCSCCCc1ccccc1 62a_100011215382_100000211621 [0,1,0,0,0,0|1,0,1]=3 6364 B13R1.28 N#CCSCCOc1ccccc1 62a_100000184471_100011215382 [0,1,0,0,0,0|2,0,1]=4 6365 B13R1.28 N#CCSCCOc1ccccc1 62a_100011215382_100000184471 [0,1,0,0,0,0|2,0,1]=4 6366 B13R1.28 N#CCSCCSc1ccccc1 62a_100000246102_100011215382 [0,1,0,0,0,0|2,0,1]=4 6367 B13R1.28 N#CCSCCSc1ccccc1 62a_100011215382_100000246102 [0,1,0,0,0,0|2,0,1]=4 6368 B13R1.28 N#CCSCOCc1ccccc1 62a_100000763385_100011215382 [0,1,0,0,0,0|2,0,1]=4 6369 B13R1.28 N#CCSCOCc1ccccc1 62a_100011215382_100000763385 [0,1,0,0,0,0|2,0,1]=4 6370 B13R1.28 N#CCSCSCc1ccccc1 62a_100011215382_200011217039 [0,1,0,0,0,0|2,0,1]=4 6371 B13R1.28 N#CCSCSCc1ccccc1 62a_200011217039_100011215382 [0,1,0,0,0,0|2,0,1]=4 6372 B13R1.28 N#CSCCSCc1ccccc1 62a_100000034367_100015291786 [0,1,0,0,0,0|2,0,1]=4 6373 B13R1.28 N#CSCCSCc1ccccc1 62a_100000211182_100000034367 [0,1,0,0,0,0|2,0,1]=4 6374 B13R1.28 N#CSCSCCc1ccccc1 62a_100000211825_100011218657 [0,1,0,0,0,0|2,0,1]=4 6375 B13R1.28 N#CSCSCCc1ccccc1 62a_100000765856_100000211825 [0,1,0,0,0,0|2,0,1]=4 6376 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [0,1,0,0,0,0|1,0,0]=2 6377 B13R1.28 NCCCCOCc1ccccn1 34a_100000750430_100000721315 [0,1,0,0,0,0|2,0,0]=3 6378 B13R1.28 NCCCCOCc1cccnc1 34a_100000750430_100000733263 [0,1,0,0,0,0|2,0,0]=3 6379 B13R1.28 NCCCCOCc1cccnn1 34a_100000750430_100016990269 [0,1,0,0,0,0|3,0,0]=4 6380 B13R1.28 NCCCCOCc1cnccn1 34a_100000750430_100016995436 [0,1,0,0,0,0|3,0,0]=4 6381 B13R1.28 NCCCCOCc1cncnc1 34a_100000750430_100015196519 [0,1,0,0,0,0|3,0,0]=4 6382 B13R1.28 NCCCCOCc1ncccn1 34a_100000750430_100000703007 [0,1,0,0,0,0|3,0,0]=4 6383 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [0,1,0,0,0,0|1,0,0]=2 6384 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [0,1,0,0,0,0|1,0,2]=4 6385 B13R1.28 NCCOCC#Cc1ccccc1 34a_100000210304_100011352542 [0,1,0,0,0,0|1,0,2]=4 6386 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,1,0,0,0,0|1,0,0]=2 6387 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [0,1,0,0,0,0|2,0,0]=3 6388 B13R1.28 NCCOCCSc1ccccc1 34a_100000210304_100000246102 [0,1,0,0,0,0|2,0,0]=3 6389 B13R1.28 NCCOCOCc1ccccc1 34a_100000210304_100000763385 [0,1,0,0,0,0|2,0,0]=3 6390 B13R1.28 NCCOCSCc1ccccc1 34a_100000210304_200011217039 [0,1,0,0,0,0|2,0,0]=3 6391 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [0,1,0,0,0,0|1,0,0]=2 6392 B13R1.28 O=CCCCCOc1ccccc1 7a_100000210340_100000139335 [0,1,0,0,0,0|0,0,2]=3 6393 B13R1.28 O=CCCCCOc1cccnc1 7a_100000210849_100000139335 [0,1,0,0,0,0|1,0,2]=4 6394 B13R1.28 O=CCCCCSc1ccccc1 62a_100000139335_100000041952 [0,1,0,0,0,0|0,0,2]=3 6395 B13R1.28 O=CCCCCSc1ccccc1 62a_100000719477_100000139335 [0,1,0,0,0,0|0,0,2]=3 6396 B13R1.28 O=CCCCCSc1ccccn1 62a_100000139335_100011216584 [0,1,0,0,0,0|1,0,2]=4 6397 B13R1.28 O=CCCCCSc1ccccn1 62a_100011216584_100000139335 [0,1,0,0,0,0|1,0,2]=4 6398 B13R1.28 O=CCCCCSc1cccnc1 62a_100000139335_100000210063 [0,1,0,0,0,0|1,0,2]=4 6399 B13R1.28 O=CCCCCSc1cccnc1 62a_100000210063_100000139335 [0,1,0,0,0,0|1,0,2]=4 6400 B13R1.28 O=CCCCCSc1ccncc1 62a_100000139335_100000728582 [0,1,0,0,0,0|1,0,2]=4 6401 B13R1.28 O=CCCCCSc1ccncc1 62a_100000728582_100000139335 [0,1,0,0,0,0|1,0,2]=4 6402 B13R1.28 O=CCCCNCc1ccccc1 2230a_100015324214_200011292268 [0,1,0,0,0,0|0,0,2]=3 6403 B13R1.28 O=CCCCOCc1ccccc1 7a_100000210790_200011292268 [0,1,0,0,0,0|0,0,2]=3 6404 B13R1.28 O=CCCCSCc1ccccc1 62a_100000211182_200011292268 [0,1,0,0,0,0|0,0,2]=3 6405 B13R1.28 O=CCCCSCc1ccccc1 62a_200011292268_100015291786 [0,1,0,0,0,0|0,0,2]=3 6406 B13R1.28 O=CCCCSCc1ccccn1 62a_100000721315_200011292268 [0,1,0,0,0,0|1,0,2]=4 6407 B13R1.28 O=CCCCSCc1ccccn1 62a_200011292268_100000721315 [0,1,0,0,0,0|1,0,2]=4 6408 B13R1.28 O=CCCCSCc1cccnc1 62a_100000741622_200011292268 [0,1,0,0,0,0|1,0,2]=4 6409 B13R1.28 O=CCCCSCc1cccnc1 62a_200011292268_100000741622 [0,1,0,0,0,0|1,0,2]=4 6410 B13R1.28 O=CCCCSCc1ccncc1 62a_100015193705_200011292268 [0,1,0,0,0,0|1,0,2]=4 6411 B13R1.28 O=CCCCSCc1ccncc1 62a_200011292268_100015193705 [0,1,0,0,0,0|1,0,2]=4 6412 B13R1.28 O=CCNCCCc1ccccc1 2230a_100000211184_200015260668 [0,1,0,0,0,0|0,0,2]=3 6413 B13R1.28 O=CCNCCCc1ccccc1 34a_100000211184_200009817547 [0,1,0,0,0,0|0,0,2]=3 6414 B13R1.28 O=CCNCCCc1cccnc1 2230a_100011532358_200015260668 [0,1,0,0,0,0|1,0,2]=4 6415 B13R1.28 O=CCNCCCc1cccnc1 34a_100011532358_200009817547 [0,1,0,0,0,0|1,0,2]=4 6416 B13R1.28 O=CCNCCCc1ccncc1 2230a_100011275580_200015260668 [0,1,0,0,0,0|1,0,2]=4 6417 B13R1.28 O=CCNCCOc1ccccc1 2230a_100000174943_200015260668 [0,1,0,0,0,0|1,0,2]=4 6418 B13R1.28 O=CCNCCOc1ccccc1 34a_100000174943_200009817547 [0,1,0,0,0,0|1,0,2]=4 6419 B13R1.28 O=CCNCCSc1ccccc1 2230a_100000189519_200015260668 [0,1,0,0,0,0|1,0,2]=4 6420 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [0,1,0,0,0,0|0,0,2]=3 6421 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [0,1,0,0,0,0|0,0,2]=3 6422 B13R1.28 O=CCOCCCc1ccccn1 34a_100011215068_200009817547 [0,1,0,0,0,0|1,0,2]=4 6423 B13R1.28 O=CCOCCCc1cccnc1 34a_100000211284_200009817547 [0,1,0,0,0,0|1,0,2]=4 6424 B13R1.28 O=CCOCCCc1ccncc1 34a_100000210659_200009817547 [0,1,0,0,0,0|1,0,2]=4 6425 B13R1.28 O=CCOCCNc1ccccc1 34a_100000211345_200009817547 [0,1,0,0,0,0|1,0,2]=4 6426 B13R1.28 O=CCOCCOc1ccccc1 34a_100000210260_200009817547 [0,1,0,0,0,0|1,0,2]=4 6427 B13R1.28 O=CCOCCOc1ccccc1 7a_100000210260_200015260668 [0,1,0,0,0,0|1,0,2]=4 6428 B13R1.28 O=CCOCCSc1ccccc1 7a_100000230494_200015260668 [0,1,0,0,0,0|1,0,2]=4 6429 B13R1.28 O=CCSCCCc1ccccc1 62a_100000211621_200015260668 [0,1,0,0,0,0|0,0,2]=3 6430 B13R1.28 O=CCSCCCc1ccccc1 62a_200015260668_100000211621 [0,1,0,0,0,0|0,0,2]=3 6431 B13R1.28 O=CCSCCOc1ccccc1 62a_100000184471_200015260668 [0,1,0,0,0,0|1,0,2]=4 6432 B13R1.28 O=CCSCCOc1ccccc1 62a_200015260668_100000184471 [0,1,0,0,0,0|1,0,2]=4 6433 B13R1.28 O=CCSCCSc1ccccc1 62a_100000246102_200015260668 [0,1,0,0,0,0|1,0,2]=4 6434 B13R1.28 O=CCSCCSc1ccccc1 62a_200015260668_100000246102 [0,1,0,0,0,0|1,0,2]=4 6435 B13R1.28 O=CCSCOCc1ccccc1 62a_100000763385_200015260668 [0,1,0,0,0,0|1,0,2]=4 6436 B13R1.28 O=CCSCOCc1ccccc1 62a_200015260668_100000763385 [0,1,0,0,0,0|1,0,2]=4 6437 B13R1.28 O=CCSCSCc1ccccc1 62a_200011217039_200015260668 [0,1,0,0,0,0|1,0,2]=4 6438 B13R1.28 O=CCSCSCc1ccccc1 62a_200015260668_200011217039 [0,1,0,0,0,0|1,0,2]=4 6439 B13R1.28 OCC#CCNCc1ccccc1 2230a_100015324214_200000047223 [0,1,0,0,0,0|0,0,2]=3 6440 B13R1.28 OCC#CCNCc1ccccc1 34a_100015324214_200000047223 [0,1,0,0,0,0|0,0,2]=3 6441 B13R1.28 OCC#CCOCc1ccccc1 34a_100000210790_200000047223 [0,1,0,0,0,0|0,0,2]=3 6442 B13R1.28 OCC#CCOCc1ccccc1 7a_100000210790_200000047223 [0,1,0,0,0,0|0,0,2]=3 6443 B13R1.28 OCC#CCSCc1ccccc1 62a_100000211182_200000047223 [0,1,0,0,0,0|0,0,2]=3 6444 B13R1.28 OCC#CCSCc1ccccc1 62a_200000047223_100015291786 [0,1,0,0,0,0|0,0,2]=3 6445 B13R1.28 OCC#CCSCc1ccccn1 62a_100000721315_200000047223 [0,1,0,0,0,0|1,0,2]=4 6446 B13R1.28 OCC#CCSCc1ccccn1 62a_200000047223_100000721315 [0,1,0,0,0,0|1,0,2]=4 6447 B13R1.28 OCC#CCSCc1cccnc1 62a_100000741622_200000047223 [0,1,0,0,0,0|1,0,2]=4 6448 B13R1.28 OCC#CCSCc1cccnc1 62a_200000047223_100000741622 [0,1,0,0,0,0|1,0,2]=4 6449 B13R1.28 OCC#CCSCc1ccncc1 62a_100015193705_200000047223 [0,1,0,0,0,0|1,0,2]=4 6450 B13R1.28 OCC#CCSCc1ccncc1 62a_200000047223_100015193705 [0,1,0,0,0,0|1,0,2]=4 6451 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [0,1,0,0,0,0|0,0,0]=1 6452 B13R1.28 OCCCCCNc1cccnn1 27a_100000762737_100016991348 [0,1,0,0,0,0|2,0,0]=3 6453 B13R1.28 OCCCCCNc1ccncn1 27a_100000762737_100000703185 [0,1,0,0,0,0|2,0,0]=3 6454 B13R1.28 OCCCCCNc1cnccn1 27a_100000762737_100000211759 [0,1,0,0,0,0|2,0,0]=3 6455 B13R1.28 OCCCCCNc1ncccn1 27a_100000762737_100000211032 [0,1,0,0,0,0|2,0,0]=3 6456 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [0,1,0,0,0,0|0,0,0]=1 6457 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [0,1,0,0,0,0|0,0,0]=1 6458 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [0,1,0,0,0,0|1,0,0]=2 6459 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [0,1,0,0,0,0|1,0,0]=2 6460 B13R1.28 OCCCCCOc1ccncc1 34a_100000212176_100000746330 [0,1,0,0,0,0|1,0,0]=2 6461 B13R1.28 OCCCCCOc1ccnnc1 34a_100015204005_100000746330 [0,1,0,0,0,0|2,0,0]=3 6462 B13R1.28 OCCCCCOc1cncnc1 7a_100000754086_100000746330 [0,1,0,0,0,0|2,0,0]=3 6463 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [0,1,0,0,0,0|0,0,0]=1 6464 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [0,1,0,0,0,0|0,0,0]=1 6465 B13R1.28 OCCCCCSc1ccccn1 62a_100000746330_100011216584 [0,1,0,0,0,0|1,0,0]=2 6466 B13R1.28 OCCCCCSc1ccccn1 62a_100011216584_100000746330 [0,1,0,0,0,0|1,0,0]=2 6467 B13R1.28 OCCCCCSc1cccnc1 62a_100000210063_100000746330 [0,1,0,0,0,0|1,0,0]=2 6468 B13R1.28 OCCCCCSc1cccnc1 62a_100000746330_100000210063 [0,1,0,0,0,0|1,0,0]=2 6469 B13R1.28 OCCCCCSc1cccnn1 62a_100000746330_100016991348 [0,1,0,0,0,0|2,0,0]=3 6470 B13R1.28 OCCCCCSc1cccnn1 62a_100016991348_100000746330 [0,1,0,0,0,0|2,0,0]=3 6471 B13R1.28 OCCCCCSc1ccncc1 62a_100000728582_100000746330 [0,1,0,0,0,0|1,0,0]=2 6472 B13R1.28 OCCCCCSc1ccncc1 62a_100000746330_100000728582 [0,1,0,0,0,0|1,0,0]=2 6473 B13R1.28 OCCCCCSc1ccncn1 62a_100000703185_100000746330 [0,1,0,0,0,0|2,0,0]=3 6474 B13R1.28 OCCCCCSc1ccncn1 62a_100000746330_100000703185 [0,1,0,0,0,0|2,0,0]=3 6475 B13R1.28 OCCCCCSc1ccnnc1 62a_100000732662_100000746330 [0,1,0,0,0,0|2,0,0]=3 6476 B13R1.28 OCCCCCSc1ccnnc1 62a_100000746330_100000732662 [0,1,0,0,0,0|2,0,0]=3 6477 B13R1.28 OCCCCCSc1cnccn1 62a_100000211759_100000746330 [0,1,0,0,0,0|2,0,0]=3 6478 B13R1.28 OCCCCCSc1cnccn1 62a_100000746330_100000211759 [0,1,0,0,0,0|2,0,0]=3 6479 B13R1.28 OCCCCCSc1cncnc1 62a_100000746330_100011206942 [0,1,0,0,0,0|2,0,0]=3 6480 B13R1.28 OCCCCCSc1cncnc1 62a_100011206942_100000746330 [0,1,0,0,0,0|2,0,0]=3 6481 B13R1.28 OCCCCCSc1cnnnc1 62a_100000746330_100009846058 [0,1,0,0,0,0|3,0,0]=4 6482 B13R1.28 OCCCCCSc1cnnnc1 62a_100009846058_100000746330 [0,1,0,0,0,0|3,0,0]=4 6483 B13R1.28 OCCCCCSc1ncccn1 62a_100000211032_100000746330 [0,1,0,0,0,0|2,0,0]=3 6484 B13R1.28 OCCCCCSc1ncccn1 62a_100000746330_100000211032 [0,1,0,0,0,0|2,0,0]=3 6485 B13R1.28 OCCCCNCc1ccccc1 207a_100000750430_100015611070 [0,1,0,0,0,0|0,0,0]=1 6486 B13R1.28 OCCCCNCc1ccccc1 2230a_100000750430_100015291786 [0,1,0,0,0,0|0,0,0]=1 6487 B13R1.28 OCCCCNCc1ccccc1 2230a_100015324214_100000210776 [0,1,0,0,0,0|0,0,0]=1 6488 B13R1.28 OCCCCNCc1ccccc1 270004a_100000750430_100015611070 [0,1,0,0,0,0|0,0,0]=1 6489 B13R1.28 OCCCCNCc1ccccc1 34a_100000750430_100015291786 [0,1,0,0,0,0|0,0,0]=1 6490 B13R1.28 OCCCCNCc1ccccc1 34a_100015324214_100011216708 [0,1,0,0,0,0|0,0,0]=1 6491 B13R1.28 OCCCCNCc1ccccn1 207a_100000750430_100000209966 [0,1,0,0,0,0|1,0,0]=2 6492 B13R1.28 OCCCCNCc1ccccn1 2230a_100000750430_100000721315 [0,1,0,0,0,0|1,0,0]=2 6493 B13R1.28 OCCCCNCc1ccccn1 270004a_100000750430_100000209966 [0,1,0,0,0,0|1,0,0]=2 6494 B13R1.28 OCCCCNCc1ccccn1 34a_100000750430_100000721315 [0,1,0,0,0,0|1,0,0]=2 6495 B13R1.28 OCCCCNCc1cccnc1 207a_100000750430_100000209961 [0,1,0,0,0,0|1,0,0]=2 6496 B13R1.28 OCCCCNCc1cccnc1 2230a_100000750430_100000741622 [0,1,0,0,0,0|1,0,0]=2 6497 B13R1.28 OCCCCNCc1cccnc1 270004a_100000750430_100000209961 [0,1,0,0,0,0|1,0,0]=2 6498 B13R1.28 OCCCCNCc1cccnc1 34a_100000750430_100000733263 [0,1,0,0,0,0|1,0,0]=2 6499 B13R1.28 OCCCCNCc1cccnn1 2230a_100000750430_100016990269 [0,1,0,0,0,0|2,0,0]=3 6500 B13R1.28 OCCCCNCc1cccnn1 2230a_100159270163_100000210776 [0,1,0,0,0,0|2,0,0]=3 6501 B13R1.28 OCCCCNCc1cccnn1 34a_100000750430_100016990269 [0,1,0,0,0,0|2,0,0]=3 6502 B13R1.28 OCCCCNCc1ccncc1 207a_100000750430_100000186114 [0,1,0,0,0,0|1,0,0]=2 6503 B13R1.28 OCCCCNCc1ccncc1 2230a_100000750430_100015193705 [0,1,0,0,0,0|1,0,0]=2 6504 B13R1.28 OCCCCNCc1ccnnc1 270004a_100000750430_100011934578 [0,1,0,0,0,0|2,0,0]=3 6505 B13R1.28 OCCCCNCc1cnccn1 2230a_100000750430_100016995436 [0,1,0,0,0,0|2,0,0]=3 6506 B13R1.28 OCCCCNCc1cnccn1 270004a_100000750430_100000749867 [0,1,0,0,0,0|2,0,0]=3 6507 B13R1.28 OCCCCNCc1cnccn1 34a_100000750430_100016995436 [0,1,0,0,0,0|2,0,0]=3 6508 B13R1.28 OCCCCNCc1cncnc1 2230a_100000750430_100015196519 [0,1,0,0,0,0|2,0,0]=3 6509 B13R1.28 OCCCCNCc1cncnc1 2230a_100011243677_100000210776 [0,1,0,0,0,0|2,0,0]=3 6510 B13R1.28 OCCCCNCc1cncnc1 270004a_100000750430_100000749868 [0,1,0,0,0,0|2,0,0]=3 6511 B13R1.28 OCCCCNCc1cncnc1 34a_100000750430_100015196519 [0,1,0,0,0,0|2,0,0]=3 6512 B13R1.28 OCCCCNCc1ncccn1 2230a_100000750430_100000703007 [0,1,0,0,0,0|2,0,0]=3 6513 B13R1.28 OCCCCNCc1ncccn1 270004a_100000750430_100011532527 [0,1,0,0,0,0|2,0,0]=3 6514 B13R1.28 OCCCCNCc1ncccn1 34a_100000750430_100000703007 [0,1,0,0,0,0|2,0,0]=3 6515 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [0,1,0,0,0,0|0,0,0]=1 6516 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [0,1,0,0,0,0|0,0,0]=1 6517 B13R1.28 OCCCCSCc1ccccc1 62a_100000210776_100015291786 [0,1,0,0,0,0|0,0,0]=1 6518 B13R1.28 OCCCCSCc1ccccc1 62a_100000211182_100000210776 [0,1,0,0,0,0|0,0,0]=1 6519 B13R1.28 OCCCCSCc1ccccn1 62a_100000210776_100000721315 [0,1,0,0,0,0|1,0,0]=2 6520 B13R1.28 OCCCCSCc1ccccn1 62a_100000721315_100000210776 [0,1,0,0,0,0|1,0,0]=2 6521 B13R1.28 OCCCCSCc1cccnc1 62a_100000210776_100000741622 [0,1,0,0,0,0|1,0,0]=2 6522 B13R1.28 OCCCCSCc1cccnc1 62a_100000741622_100000210776 [0,1,0,0,0,0|1,0,0]=2 6523 B13R1.28 OCCCCSCc1cccnn1 62a_100000210776_100016990269 [0,1,0,0,0,0|2,0,0]=3 6524 B13R1.28 OCCCCSCc1cccnn1 62a_100016990269_100000210776 [0,1,0,0,0,0|2,0,0]=3 6525 B13R1.28 OCCCCSCc1ccncc1 62a_100000210776_100015193705 [0,1,0,0,0,0|1,0,0]=2 6526 B13R1.28 OCCCCSCc1ccncc1 62a_100015193705_100000210776 [0,1,0,0,0,0|1,0,0]=2 6527 B13R1.28 OCCCCSCc1cnccn1 62a_100000210776_100016995436 [0,1,0,0,0,0|2,0,0]=3 6528 B13R1.28 OCCCCSCc1cnccn1 62a_100016995436_100000210776 [0,1,0,0,0,0|2,0,0]=3 6529 B13R1.28 OCCCCSCc1cncnc1 62a_100000210776_100015196519 [0,1,0,0,0,0|2,0,0]=3 6530 B13R1.28 OCCCCSCc1cncnc1 62a_100015196519_100000210776 [0,1,0,0,0,0|2,0,0]=3 6531 B13R1.28 OCCCCSCc1ncccn1 62a_100000210776_100000703007 [0,1,0,0,0,0|2,0,0]=3 6532 B13R1.28 OCCCCSCc1ncccn1 62a_100000703007_100000210776 [0,1,0,0,0,0|2,0,0]=3 6533 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [0,1,0,0,0,0|0,0,0]=1 6534 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [0,1,0,0,0,0|0,0,0]=1 6535 B13R1.28 OCCCNCCc1cccnc1 2230a_100000736294_100000230001 [0,1,0,0,0,0|1,0,0]=2 6536 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [0,1,0,0,0,0|0,0,0]=1 6537 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [0,1,0,0,0,0|0,0,0]=1 6538 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [0,1,0,0,0,0|1,0,0]=2 6539 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [0,1,0,0,0,0|1,0,0]=2 6540 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [0,1,0,0,0,0|1,0,0]=2 6541 B13R1.28 OCCCOCCc1cnccn1 34a_100011349526_100000230001 [0,1,0,0,0,0|2,0,0]=3 6542 B13R1.28 OCCCOCCc1cncnc1 34a_100011709255_100000230001 [0,1,0,0,0,0|2,0,0]=3 6543 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [0,1,0,0,0,0|0,0,0]=1 6544 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [0,1,0,0,0,0|0,0,0]=1 6545 B13R1.28 OCCCSCCc1ccccn1 62a_100011215043_100015183660 [0,1,0,0,0,0|1,0,0]=2 6546 B13R1.28 OCCCSCCc1ccccn1 62a_100015183660_100011215043 [0,1,0,0,0,0|1,0,0]=2 6547 B13R1.28 OCCCSCCc1cccnc1 62a_100011215043_200011713674 [0,1,0,0,0,0|1,0,0]=2 6548 B13R1.28 OCCCSCCc1cccnc1 62a_200011713674_100011215043 [0,1,0,0,0,0|1,0,0]=2 6549 B13R1.28 OCCCSCCc1ccncc1 62a_100000723409_100011215043 [0,1,0,0,0,0|1,0,0]=2 6550 B13R1.28 OCCCSCCc1ccncc1 62a_100011215043_100000723409 [0,1,0,0,0,0|1,0,0]=2 6551 B13R1.28 OCCCSCSc1ccccc1 62a_100011215043_100011218342 [0,1,0,0,0,0|1,0,0]=2 6552 B13R1.28 OCCCSCSc1ccccc1 62a_100011218342_100011215043 [0,1,0,0,0,0|1,0,0]=2 6553 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [0,1,0,0,0,0|0,0,2]=3 6554 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [0,1,0,0,0,0|0,0,2]=3 6555 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [0,1,0,0,0,0|0,0,2]=3 6556 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [0,1,0,0,0,0|0,0,2]=3 6557 B13R1.28 OCCNCC#Cc1ccccc1 2230a_100016997473_100011352542 [0,1,0,0,0,0|0,0,2]=3 6558 B13R1.28 OCCNCC#Cc1ccccc1 34a_100000735379_100000211926 [0,1,0,0,0,0|0,0,2]=3 6559 B13R1.28 OCCNCC#Cc1ccccc1 34a_100016990907_100011352542 [0,1,0,0,0,0|0,0,2]=3 6560 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [0,1,0,0,0,0|0,0,2]=3 6561 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,1,0,0,0,0|0,0,0]=1 6562 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,1,0,0,0,0|0,0,0]=1 6563 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,1,0,0,0,0|0,0,0]=1 6564 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,1,0,0,0,0|0,0,0]=1 6565 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,1,0,0,0,0|1,0,0]=2 6566 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,1,0,0,0,0|1,0,0]=2 6567 B13R1.28 OCCNCCCc1ccncc1 2230a_100011275580_100000211926 [0,1,0,0,0,0|1,0,0]=2 6568 B13R1.28 OCCNCCOc1ccccc1 2230a_100000174943_100000211926 [0,1,0,0,0,0|1,0,0]=2 6569 B13R1.28 OCCNCCOc1ccccc1 2230a_100016997473_100000184471 [0,1,0,0,0,0|1,0,0]=2 6570 B13R1.28 OCCNCCOc1ccccc1 270004a_100000210304_100000758736 [0,1,0,0,0,0|1,0,0]=2 6571 B13R1.28 OCCNCCOc1ccccc1 34a_100000174943_100000211926 [0,1,0,0,0,0|1,0,0]=2 6572 B13R1.28 OCCNCCOc1ccccc1 34a_100016990907_100000184471 [0,1,0,0,0,0|1,0,0]=2 6573 B13R1.28 OCCNCCOc1ccccn1 2230a_106741647558_100000211926 [0,1,0,0,0,0|2,0,0]=3 6574 B13R1.28 OCCNCCOc1cccnc1 2230a_100000754688_100000211926 [0,1,0,0,0,0|2,0,0]=3 6575 B13R1.28 OCCNCCSc1ccccc1 2230a_100000189519_100000211926 [0,1,0,0,0,0|1,0,0]=2 6576 B13R1.28 OCCNCCSc1ccccc1 2230a_100016997473_100000246102 [0,1,0,0,0,0|1,0,0]=2 6577 B13R1.28 OCCNCCSc1ccccc1 34a_100016990907_100000246102 [0,1,0,0,0,0|1,0,0]=2 6578 B13R1.28 OCCNCOCc1ccccc1 2230a_100016997473_100000763385 [0,1,0,0,0,0|1,0,0]=2 6579 B13R1.28 OCCNCOCc1ccccc1 34a_100016990907_100000763385 [0,1,0,0,0,0|1,0,0]=2 6580 B13R1.28 OCCNCSCc1ccccc1 2230a_100016997473_200011217039 [0,1,0,0,0,0|1,0,0]=2 6581 B13R1.28 OCCNCSCc1ccccc1 34a_100016990907_200011217039 [0,1,0,0,0,0|1,0,0]=2 6582 B13R1.28 OCCNN=CCc1ccccc1 4a_100000210001_100000209964 [0,1,0,0,0,0|1,0,1]=3 6583 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [0,1,0,0,0,0|0,0,2]=3 6584 B13R1.28 OCCOC/C=C/c1cccnc1 34a_200102594124_100000211926 [0,1,0,0,0,0|1,0,2]=4 6585 B13R1.28 OCCOCC#Cc1ccccc1 34a_100011217464_100000211926 [0,1,0,0,0,0|0,0,2]=3 6586 B13R1.28 OCCOCC#Cc1ccccc1 7a_100011217464_100000211926 [0,1,0,0,0,0|0,0,2]=3 6587 B13R1.28 OCCOCC#Cc1ccccn1 34a_100011894333_100000211926 [0,1,0,0,0,0|1,0,2]=4 6588 B13R1.28 OCCOCC#Cc1cccnc1 34a_100011376247_100000211926 [0,1,0,0,0,0|1,0,2]=4 6589 B13R1.28 OCCOCC#Cc1ccncc1 34a_100011894393_100000211926 [0,1,0,0,0,0|1,0,2]=4 6590 B13R1.28 OCCOCCCC1=CCC=CC1 34a_100020667889_100000211926 [0,1,0,0,0,0|0,0,2]=3 6591 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,1,0,0,0,0|0,0,0]=1 6592 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,1,0,0,0,0|0,0,0]=1 6593 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [0,1,0,0,0,0|1,0,0]=2 6594 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [0,1,0,0,0,0|1,0,0]=2 6595 B13R1.28 OCCOCCCc1ccncc1 34a_100000210659_100000211926 [0,1,0,0,0,0|1,0,0]=2 6596 B13R1.28 OCCOCCNc1ccccc1 34a_100000106764_100000692535 [0,1,0,0,0,0|1,0,0]=2 6597 B13R1.28 OCCOCCNc1ccccc1 34a_100000211345_100000211926 [0,1,0,0,0,0|1,0,0]=2 6598 B13R1.28 OCCOCCNc1cccnn1 27a_100000211614_100016991348 [0,1,0,0,0,0|3,0,0]=4 6599 B13R1.28 OCCOCCNc1ccncc1 34a_200011243140_100000211926 [0,1,0,0,0,0|2,0,0]=3 6600 B13R1.28 OCCOCCNc1ccncn1 27a_100000211614_100000703185 [0,1,0,0,0,0|3,0,0]=4 6601 B13R1.28 OCCOCCNc1cnccn1 27a_100000211614_100000211759 [0,1,0,0,0,0|3,0,0]=4 6602 B13R1.28 OCCOCCNc1ncccn1 27a_100000211614_100000211032 [0,1,0,0,0,0|3,0,0]=4 6603 B13R1.28 OCCOCCOc1ccccc1 34a_100000210260_100000211926 [0,1,0,0,0,0|1,0,0]=2 6604 B13R1.28 OCCOCCOc1ccccc1 34a_100000210340_100000692535 [0,1,0,0,0,0|1,0,0]=2 6605 B13R1.28 OCCOCCOc1ccccc1 7a_100000210260_100000211926 [0,1,0,0,0,0|1,0,0]=2 6606 B13R1.28 OCCOCCOc1ccccc1 7a_100000210340_100011215305 [0,1,0,0,0,0|1,0,0]=2 6607 B13R1.28 OCCOCCOc1cccnc1 34a_100000210849_100000692535 [0,1,0,0,0,0|2,0,0]=3 6608 B13R1.28 OCCOCCOc1cccnc1 7a_100000210849_100011215305 [0,1,0,0,0,0|2,0,0]=3 6609 B13R1.28 OCCOCCOc1ccncc1 34a_100000212176_100000692535 [0,1,0,0,0,0|2,0,0]=3 6610 B13R1.28 OCCOCCOc1ccnnc1 34a_100015204005_100000692535 [0,1,0,0,0,0|3,0,0]=4 6611 B13R1.28 OCCOCCOc1cncnc1 7a_100000754086_100011215305 [0,1,0,0,0,0|3,0,0]=4 6612 B13R1.28 OCCOCCSc1ccccc1 62a_100000719477_100011215305 [0,1,0,0,0,0|1,0,0]=2 6613 B13R1.28 OCCOCCSc1ccccc1 62a_100011215305_100000041952 [0,1,0,0,0,0|1,0,0]=2 6614 B13R1.28 OCCOCCSc1ccccc1 7a_100000230494_100000211926 [0,1,0,0,0,0|1,0,0]=2 6615 B13R1.28 OCCOCCSc1ccccn1 62a_100011215305_100011216584 [0,1,0,0,0,0|2,0,0]=3 6616 B13R1.28 OCCOCCSc1ccccn1 62a_100011216584_100011215305 [0,1,0,0,0,0|2,0,0]=3 6617 B13R1.28 OCCOCCSc1ccccn1 7a_100000156319_100000211926 [0,1,0,0,0,0|2,0,0]=3 6618 B13R1.28 OCCOCCSc1cccnc1 62a_100000210063_100011215305 [0,1,0,0,0,0|2,0,0]=3 6619 B13R1.28 OCCOCCSc1cccnc1 62a_100011215305_100000210063 [0,1,0,0,0,0|2,0,0]=3 6620 B13R1.28 OCCOCCSc1cccnn1 62a_100011215305_100016991348 [0,1,0,0,0,0|3,0,0]=4 6621 B13R1.28 OCCOCCSc1cccnn1 62a_100016991348_100011215305 [0,1,0,0,0,0|3,0,0]=4 6622 B13R1.28 OCCOCCSc1ccncc1 62a_100000728582_100011215305 [0,1,0,0,0,0|2,0,0]=3 6623 B13R1.28 OCCOCCSc1ccncc1 62a_100011215305_100000728582 [0,1,0,0,0,0|2,0,0]=3 6624 B13R1.28 OCCOCCSc1ccncn1 62a_100000703185_100011215305 [0,1,0,0,0,0|3,0,0]=4 6625 B13R1.28 OCCOCCSc1ccncn1 62a_100011215305_100000703185 [0,1,0,0,0,0|3,0,0]=4 6626 B13R1.28 OCCOCCSc1ccnnc1 62a_100000732662_100011215305 [0,1,0,0,0,0|3,0,0]=4 6627 B13R1.28 OCCOCCSc1ccnnc1 62a_100011215305_100000732662 [0,1,0,0,0,0|3,0,0]=4 6628 B13R1.28 OCCOCCSc1cnccn1 62a_100000211759_100011215305 [0,1,0,0,0,0|3,0,0]=4 6629 B13R1.28 OCCOCCSc1cnccn1 62a_100011215305_100000211759 [0,1,0,0,0,0|3,0,0]=4 6630 B13R1.28 OCCOCCSc1cncnc1 62a_100011206942_100011215305 [0,1,0,0,0,0|3,0,0]=4 6631 B13R1.28 OCCOCCSc1cncnc1 62a_100011215305_100011206942 [0,1,0,0,0,0|3,0,0]=4 6632 B13R1.28 OCCOCCSc1ncccn1 62a_100000211032_100011215305 [0,1,0,0,0,0|3,0,0]=4 6633 B13R1.28 OCCOCCSc1ncccn1 62a_100011215305_100000211032 [0,1,0,0,0,0|3,0,0]=4 6634 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [0,1,0,0,0,0|0,0,2]=3 6635 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [0,1,0,0,0,0|0,0,2]=3 6636 B13R1.28 OCCSCC#Cc1ccccc1 62a_100000211926_100011352542 [0,1,0,0,0,0|0,0,2]=3 6637 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,1,0,0,0,0|0,0,0]=1 6638 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,1,0,0,0,0|0,0,0]=1 6639 B13R1.28 OCCSCCNc1cccnn1 27a_100011219999_100016991348 [0,1,0,0,0,0|3,0,0]=4 6640 B13R1.28 OCCSCCNc1ccncn1 27a_100011219999_100000703185 [0,1,0,0,0,0|3,0,0]=4 6641 B13R1.28 OCCSCCNc1cnccn1 27a_100011219999_100000211759 [0,1,0,0,0,0|3,0,0]=4 6642 B13R1.28 OCCSCCNc1ncccn1 27a_100011219999_100000211032 [0,1,0,0,0,0|3,0,0]=4 6643 B13R1.28 OCCSCCOc1ccccc1 62a_100000184471_100000211926 [0,1,0,0,0,0|1,0,0]=2 6644 B13R1.28 OCCSCCOc1ccccc1 62a_100000211926_100000184471 [0,1,0,0,0,0|1,0,0]=2 6645 B13R1.28 OCCSCCSc1ccccc1 62a_100000211926_100000246102 [0,1,0,0,0,0|1,0,0]=2 6646 B13R1.28 OCCSCCSc1ccccc1 62a_100000246102_100000211926 [0,1,0,0,0,0|1,0,0]=2 6647 B13R1.28 OCCSCOCc1ccccc1 62a_100000211926_100000763385 [0,1,0,0,0,0|1,0,0]=2 6648 B13R1.28 OCCSCOCc1ccccc1 62a_100000763385_100000211926 [0,1,0,0,0,0|1,0,0]=2 6649 B13R1.28 OCCSCSCc1ccccc1 62a_100000211926_200011217039 [0,1,0,0,0,0|1,0,0]=2 6650 B13R1.28 OCCSCSCc1ccccc1 62a_200011217039_100000211926 [0,1,0,0,0,0|1,0,0]=2 6651 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,1,0,0,0,0|1,0,0]=2 6652 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,1,0,0,0,0|1,0,0]=2 6653 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [0,1,0,0,0,0|2,0,0]=3 6654 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [0,1,0,0,0,0|2,0,0]=3 6655 B13R1.28 [13CH3]OCCCC#Cc1ccccc1 34a_100011217234_200025704644 [0,1,0,0,0,0|0,0,2]=3 6656 B13R1.28 [13CH3]OCCCC#Cc1ccccc1 7a_100011217234_200025704644 [0,1,0,0,0,0|0,0,2]=3 6657 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,1,0,0,0,0|0,0,0]=1 6658 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,1,0,0,0,0|0,0,0]=1 6659 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [0,1,0,0,0,0|1,0,0]=2 6660 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [0,1,0,0,0,0|1,0,0]=2 6661 B13R1.28 [13CH3]OCCCNCc1ccccc1 34a_100000185501_200025704644 [0,1,0,0,0,0|1,0,0]=2 6662 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [0,1,0,0,0,0|1,0,0]=2 6663 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [0,1,0,0,0,0|1,0,0]=2 6664 B13R1.28 [13CH3]OCCSCCc1ccccn1 34a_100011362645_200025704644 [0,1,0,0,0,0|2,0,0]=3 6665 B13R1.28 [13CH3]OCCSCCc1ccccn1 7a_100011362645_200025704644 [0,1,0,0,0,0|2,0,0]=3 6666 B13R1.28 [13CH3]OCCSCCc1ccncc1 34a_200011193335_200025704644 [0,1,0,0,0,0|2,0,0]=3 6667 B13R1.28 [13CH3]OCCSCCc1ccncc1 7a_200011193335_200025704644 [0,1,0,0,0,0|2,0,0]=3 6668 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,1,0,0,0,0|0,1,0]=2 6669 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,1,0,0,0,0|0,1,0]=2 6670 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [0,1,0,0,0,0|1,1,0]=3 6671 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [0,1,0,0,0,0|1,1,0]=3 6672 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [0,1,0,0,0,0|1,1,0]=3 6673 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [0,1,0,0,0,0|1,1,0]=3 6674 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [0,1,0,0,0,0|1,0,2]=4 6675 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [0,1,0,0,0,0|1,0,2]=4 6676 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,1,0,0,0,0|2,0,1]=4 6677 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,1,0,0,0,0|2,0,1]=4 6678 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000207497_100000038162 [0,1,0,0,0,0|2,0,1]=4 6679 B13R1.42 C#CCN(C)CCc1ccccc1 2230a_100000225692_100000765856 [0,1,0,0,0,0|2,0,1]=4 6680 B13R1.42 C#CCN(C)CCc1ccccc1 34a_100000225692_100000765856 [0,1,0,0,0,0|2,0,1]=4 6681 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,1,0,0,0,0|1,0,2]=4 6682 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,1,0,0,0,0|1,0,2]=4 6683 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000207497_100000210623 [0,1,0,0,0,0|2,0,1]=4 6684 B13R1.42 C=CCN(C)CCc1ccccc1 2230a_100000225617_100000765856 [0,1,0,0,0,0|2,0,1]=4 6685 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000207497_100000210623 [0,1,0,0,0,0|2,0,1]=4 6686 B13R1.42 C=CCN(C)CCc1ccccc1 269982a_100000225617_100000765856 [0,1,0,0,0,0|2,0,1]=4 6687 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,1,0,0,0,0|2,0,1]=4 6688 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,1,0,0,0,0|2,0,1]=4 6689 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,1,0,0,0,0|2,0,1]=4 6690 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,1,0,0,0,0|2,0,1]=4 6691 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,1,0,0,0,0|2,0,1]=4 6692 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,1,0,0,0,0|2,0,1]=4 6693 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,1,0,0,0,0|2,0,0]=3 6694 B13R1.42 CC(CCBr)OCc1ccccn1 34a_100012276601_100000721315 [0,1,0,0,0,0|3,0,0]=4 6695 B13R1.42 CC(CCBr)OCc1cccnc1 34a_100012276601_100000733263 [0,1,0,0,0,0|3,0,0]=4 6696 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,1,0,0,0,0|1,0,0]=2 6697 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,1,0,0,0,0|1,0,0]=2 6698 B13R1.42 CC(CCO)NCc1cccnn1 2230a_100159270163_100009893172 [0,1,0,0,0,0|3,0,0]=4 6699 B13R1.42 CC(CCO)NCc1cncnc1 2230a_100011243677_100009893172 [0,1,0,0,0,0|3,0,0]=4 6700 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,1,0,0,0,0|1,0,0]=2 6701 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,1,0,0,0,0|1,0,0]=2 6702 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,1,0,0,0,0|1,0,0]=2 6703 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,1,0,0,0,0|1,0,0]=2 6704 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,1,0,0,0,0|2,0,0]=3 6705 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,1,0,0,0,0|2,0,0]=3 6706 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,1,0,0,0,0|2,0,0]=3 6707 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,1,0,0,0,0|2,0,0]=3 6708 B13R1.42 CC(CCO)SCc1cccnn1 62a_100009893172_100016990269 [0,1,0,0,0,0|3,0,0]=4 6709 B13R1.42 CC(CCO)SCc1cccnn1 62a_100016990269_100009893172 [0,1,0,0,0,0|3,0,0]=4 6710 B13R1.42 CC(CCO)SCc1ccncc1 62a_100009893172_100015193705 [0,1,0,0,0,0|2,0,0]=3 6711 B13R1.42 CC(CCO)SCc1ccncc1 62a_100015193705_100009893172 [0,1,0,0,0,0|2,0,0]=3 6712 B13R1.42 CC(CCO)SCc1cnccn1 62a_100009893172_100016995436 [0,1,0,0,0,0|3,0,0]=4 6713 B13R1.42 CC(CCO)SCc1cnccn1 62a_100016995436_100009893172 [0,1,0,0,0,0|3,0,0]=4 6714 B13R1.42 CC(CCO)SCc1cncnc1 62a_100009893172_100015196519 [0,1,0,0,0,0|3,0,0]=4 6715 B13R1.42 CC(CCO)SCc1cncnc1 62a_100015196519_100009893172 [0,1,0,0,0,0|3,0,0]=4 6716 B13R1.42 CC(CCO)SCc1ncccn1 62a_100000703007_100009893172 [0,1,0,0,0,0|3,0,0]=4 6717 B13R1.42 CC(CCO)SCc1ncccn1 62a_100009893172_100000703007 [0,1,0,0,0,0|3,0,0]=4 6718 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,1,0,0,0,0|2,0,0]=3 6719 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,1,0,0,0,0|3,0,0]=4 6720 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,1,0,0,0,0|3,0,0]=4 6721 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,1,0,0,0,0|3,0,0]=4 6722 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,1,0,0,0,0|1,0,1]=3 6723 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,1,0,0,0,0|1,0,1]=3 6724 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,1,0,0,0,0|2,0,1]=4 6725 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,1,0,0,0,0|2,0,1]=4 6726 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,1,0,0,0,0|2,0,1]=4 6727 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,1,0,0,0,0|2,0,1]=4 6728 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,1,0,0,0,0|2,0,1]=4 6729 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,1,0,0,0,0|2,0,1]=4 6730 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,1,0,0,0,0|2,0,1]=4 6731 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,1,0,0,0,0|2,0,1]=4 6732 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,1,0,0,0,0|2,0,1]=4 6733 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,1,0,0,0,0|2,0,1]=4 6734 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,1,0,0,0,0|2,0,1]=4 6735 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 6736 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 6737 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 6738 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 6739 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,1,0,0,0,0|2,0,0]=3 6740 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,1,0,0,0,0|2,0,0]=3 6741 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,1,0,0,0,0|2,0,0]=3 6742 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,1,0,0,0,0|3,0,0]=4 6743 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,1,0,0,0,0|3,0,0]=4 6744 B13R1.42 CCCC(C)COc1ccncc1 34a_100000212176_100011216630 [0,1,0,0,0,0|3,0,0]=4 6745 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,1,0,0,0,0|2,0,0]=3 6746 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,1,0,0,0,0|2,0,0]=3 6747 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [0,1,0,0,0,0|3,0,0]=4 6748 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [0,1,0,0,0,0|3,0,0]=4 6749 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,1,0,0,0,0|3,0,0]=4 6750 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,1,0,0,0,0|3,0,0]=4 6751 B13R1.42 CCCC(C)CSc1ccncc1 62a_100000728582_100011216630 [0,1,0,0,0,0|3,0,0]=4 6752 B13R1.42 CCCC(C)CSc1ccncc1 62a_100011216630_100000728582 [0,1,0,0,0,0|3,0,0]=4 6753 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,0,0,0,0|2,0,0]=3 6754 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,0,0,0,0|2,0,0]=3 6755 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,0,0,0,0|2,0,0]=3 6756 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,0,0,0,0|2,0,0]=3 6757 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,0,0,0,0|2,0,0]=3 6758 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,0,0,0,0|2,0,0]=3 6759 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,1,0,0,0,0|3,0,0]=4 6760 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,1,0,0,0,0|3,0,0]=4 6761 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,1,0,0,0,0|3,0,0]=4 6762 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,1,0,0,0,0|3,0,0]=4 6763 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,1,0,0,0,0|3,0,0]=4 6764 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,1,0,0,0,0|3,0,0]=4 6765 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,1,0,0,0,0|3,0,0]=4 6766 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,1,0,0,0,0|3,0,0]=4 6767 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [0,1,0,0,0,0|3,0,0]=4 6768 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [0,1,0,0,0,0|3,0,0]=4 6769 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,0,0,0,0|2,0,0]=3 6770 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,0,0,0,0|2,0,0]=3 6771 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,0,0,0,0|2,0,0]=3 6772 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,0,0,0,0|2,0,0]=3 6773 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,1,0,0,0,0|3,0,0]=4 6774 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,1,0,0,0,0|3,0,0]=4 6775 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,1,0,0,0,0|3,0,0]=4 6776 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,1,0,0,0,0|3,0,0]=4 6777 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [0,1,0,0,0,0|3,0,0]=4 6778 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,0,0,0,0|2,0,0]=3 6779 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,0,0,0,0|2,0,0]=3 6780 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [0,1,0,0,0,0|3,0,0]=4 6781 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [0,1,0,0,0,0|3,0,0]=4 6782 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,1,0,0,0,0|3,0,0]=4 6783 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,1,0,0,0,0|3,0,0]=4 6784 B13R1.42 CCCC(C)SCc1ccncc1 62a_100000766640_100015193705 [0,1,0,0,0,0|3,0,0]=4 6785 B13R1.42 CCCC(C)SCc1ccncc1 62a_100015193705_100000766640 [0,1,0,0,0,0|3,0,0]=4 6786 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,1,0,0,0,0|2,0,0]=3 6787 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,1,0,0,0,0|2,0,0]=3 6788 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,1,0,0,0,0|2,0,0]=3 6789 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,1,0,0,0,0|2,0,0]=3 6790 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [0,1,0,0,0,0|3,0,0]=4 6791 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [0,1,0,0,0,0|3,0,0]=4 6792 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [0,1,0,0,0,0|3,0,0]=4 6793 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [0,1,0,0,0,0|3,0,0]=4 6794 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [0,1,0,0,0,0|3,0,0]=4 6795 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [0,1,0,0,0,0|3,0,0]=4 6796 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [0,1,0,0,0,0|3,0,0]=4 6797 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [0,1,0,0,0,0|3,0,0]=4 6798 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [0,1,0,0,0,0|3,0,0]=4 6799 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [0,1,0,0,0,0|3,0,0]=4 6800 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000742850_100000210303 [0,1,0,0,0,0|3,0,0]=4 6801 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000747261_100000723409 [0,1,0,0,0,0|3,0,0]=4 6802 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000742850_100000210303 [0,1,0,0,0,0|3,0,0]=4 6803 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000747261_100000723409 [0,1,0,0,0,0|3,0,0]=4 6804 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [0,1,0,0,0,0|3,0,0]=4 6805 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [0,1,0,0,0,0|3,0,0]=4 6806 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [0,1,0,0,0,0|3,0,0]=4 6807 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [0,1,0,0,0,0|3,0,0]=4 6808 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,1,0,0,0,0|2,0,1]=4 6809 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,1,0,0,0,0|2,0,1]=4 6810 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,1,0,0,0,0|2,0,1]=4 6811 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,1,0,0,0,0|2,0,0]=3 6812 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,1,0,0,0,0|2,0,0]=3 6813 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,1,0,0,0,0|2,0,0]=3 6814 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,1,0,0,0,0|3,0,0]=4 6815 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,1,0,0,0,0|3,0,0]=4 6816 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,1,0,0,0,0|3,0,0]=4 6817 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,1,0,0,0,0|3,0,0]=4 6818 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,1,0,0,0,0|3,0,0]=4 6819 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,1,0,0,0,0|3,0,0]=4 6820 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,0,0,0,0|2,0,0]=3 6821 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,0,0,0,0|2,0,0]=3 6822 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000207497_100011215382 [0,1,0,0,0,0|2,0,1]=4 6823 B13R1.42 CN(CC#N)CCc1ccccc1 2230a_100000748184_100000765856 [0,1,0,0,0,0|2,0,1]=4 6824 B13R1.42 CN(CC#N)CCc1ccccc1 269982a_100000207497_100011214920 [0,1,0,0,0,0|2,0,1]=4 6825 B13R1.42 CN(CC=O)CCc1ccccc1 2230a_100000207497_200015260668 [0,1,0,0,0,0|1,0,2]=4 6826 B13R1.42 CN(CC=O)CCc1ccccc1 269982a_100000207497_200015260668 [0,1,0,0,0,0|1,0,2]=4 6827 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,1,0,0,0,0|2,0,0]=3 6828 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,1,0,0,0,0|2,0,0]=3 6829 B13R1.42 CN(CCF)CCc1ccccn1 2230a_100000737206_100011217306 [0,1,0,0,0,0|3,0,0]=4 6830 B13R1.42 CN(CCF)CCc1ccccn1 269982a_100000737206_100011217306 [0,1,0,0,0,0|3,0,0]=4 6831 B13R1.42 CN(CCF)CCc1cccnc1 2230a_100000763209_100011217306 [0,1,0,0,0,0|3,0,0]=4 6832 B13R1.42 CN(CCF)CCc1cccnc1 269982a_100000763209_100011217306 [0,1,0,0,0,0|3,0,0]=4 6833 B13R1.42 CN(CCF)CCc1ccncc1 2230a_100000742850_100011217306 [0,1,0,0,0,0|3,0,0]=4 6834 B13R1.42 CN(CCF)CCc1ccncc1 269982a_100000742850_100011217306 [0,1,0,0,0,0|3,0,0]=4 6835 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,1,0,0,0,0|1,0,0]=2 6836 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,1,0,0,0,0|1,0,0]=2 6837 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,1,0,0,0,0|1,0,0]=2 6838 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,1,0,0,0,0|1,0,0]=2 6839 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000210263_100015183660 [0,1,0,0,0,0|2,0,0]=3 6840 B13R1.42 CN(CCO)CCc1ccccn1 2230a_100000737206_100000211926 [0,1,0,0,0,0|2,0,0]=3 6841 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000210263_100015183660 [0,1,0,0,0,0|2,0,0]=3 6842 B13R1.42 CN(CCO)CCc1ccccn1 269982a_100000737206_100000211926 [0,1,0,0,0,0|2,0,0]=3 6843 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000210263_200011713674 [0,1,0,0,0,0|2,0,0]=3 6844 B13R1.42 CN(CCO)CCc1cccnc1 2230a_100000763209_100000211926 [0,1,0,0,0,0|2,0,0]=3 6845 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000210263_200011713674 [0,1,0,0,0,0|2,0,0]=3 6846 B13R1.42 CN(CCO)CCc1cccnc1 269982a_100000763209_100000211926 [0,1,0,0,0,0|2,0,0]=3 6847 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000210263_100000723409 [0,1,0,0,0,0|2,0,0]=3 6848 B13R1.42 CN(CCO)CCc1ccncc1 2230a_100000742850_100000211926 [0,1,0,0,0,0|2,0,0]=3 6849 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000210263_100000723409 [0,1,0,0,0,0|2,0,0]=3 6850 B13R1.42 CN(CCO)CCc1ccncc1 269982a_100000742850_100000211926 [0,1,0,0,0,0|2,0,0]=3 6851 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [0,1,0,0,0,0|2,0,0]=3 6852 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [0,1,0,0,0,0|2,0,0]=3 6853 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,1,0,0,0,0|2,0,1]=4 6854 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,1,0,0,0,0|2,0,1]=4 6855 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,1,0,0,0,0|2,0,1]=4 6856 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,1,0,0,0,0|3,0,0]=4 6857 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,0|3,0,0]=4 6858 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,1,0,0,0,0|2,0,1]=4 6859 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,1,0,0,0,0|2,0,1]=4 6860 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,0,0,0,0|3,0,0]=4 6861 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,0,0,0,0|3,0,0]=4 6862 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,0,0,0,0|3,0,0]=4 6863 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,1,0,0,0,0|3,0,0]=4 6864 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,1,0,0,0,0|3,0,0]=4 6865 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,1,0,0,0,0|3,0,0]=4 6866 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,1,0,0,0,0|3,0,0]=4 6867 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,1,0,0,0,0|3,0,0]=4 6868 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,1,0,0,0,0|3,0,0]=4 6869 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,1,0,0,0,0|3,0,0]=4 6870 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,1,0,0,0,0|3,0,0]=4 6871 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,1,0,0,0,0|3,0,0]=4 6872 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,1,0,0,0,0|3,0,0]=4 6873 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,1,0,0,0,0|3,0,0]=4 6874 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,0,0,0,0|3,0,0]=4 6875 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,0,0,0,0|3,0,0]=4 6876 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,0,0,0,0|3,0,0]=4 6877 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,0,0,0,0|3,0,0]=4 6878 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,1,0,0,0,0|3,0,0]=4 6879 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,1,0,0,0,0|2,0,1]=4 6880 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,1,0,0,0,0|2,0,1]=4 6881 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,1,0,0,0,0|2,0,1]=4 6882 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,1,0,0,0,0|3,0,0]=4 6883 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,1,0,0,0,0|3,0,0]=4 6884 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,1,0,0,0,0|3,0,0]=4 6885 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,1,0,0,0,0|2,0,1]=4 6886 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,1,0,0,0,0|2,0,1]=4 6887 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,1,0,0,0,0|2,0,0]=3 6888 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,1,0,0,0,0|2,0,0]=3 6889 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,1,0,0,0,0|1,0,0]=2 6890 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,1,0,0,0,0|1,0,0]=2 6891 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,1,0,0,0,0|1,0,0]=2 6892 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,1,0,0,0,0|1,0,0]=2 6893 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,1,0,0,0,0|2,0,0]=3 6894 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,1,0,0,0,0|2,0,0]=3 6895 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,1,0,0,0,0|2,0,0]=3 6896 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,1,0,0,0,0|2,0,0]=3 6897 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,1,0,0,0,0|2,0,0]=3 6898 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,1,0,0,0,0|2,0,0]=3 6899 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,1,0,0,0,0|2,0,0]=3 6900 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,1,0,0,0,0|2,0,0]=3 6901 B13R1.42 C[C@H](CCO)NCc1cccnn1 2230a_100000706166_100016990269 [0,1,0,0,0,0|3,0,0]=4 6902 B13R1.42 C[C@H](CCO)NCc1cccnn1 34a_100000706166_100016990269 [0,1,0,0,0,0|3,0,0]=4 6903 B13R1.42 C[C@H](CCO)NCc1ccncc1 207a_100000706166_100000186114 [0,1,0,0,0,0|2,0,0]=3 6904 B13R1.42 C[C@H](CCO)NCc1ccncc1 2230a_100000706166_100015193705 [0,1,0,0,0,0|2,0,0]=3 6905 B13R1.42 C[C@H](CCO)NCc1ccnnc1 270004a_100000706166_100011934578 [0,1,0,0,0,0|3,0,0]=4 6906 B13R1.42 C[C@H](CCO)NCc1cnccn1 2230a_100000706166_100016995436 [0,1,0,0,0,0|3,0,0]=4 6907 B13R1.42 C[C@H](CCO)NCc1cnccn1 270004a_100000706166_100000749867 [0,1,0,0,0,0|3,0,0]=4 6908 B13R1.42 C[C@H](CCO)NCc1cnccn1 34a_100000706166_100016995436 [0,1,0,0,0,0|3,0,0]=4 6909 B13R1.42 C[C@H](CCO)NCc1cncnc1 2230a_100000706166_100015196519 [0,1,0,0,0,0|3,0,0]=4 6910 B13R1.42 C[C@H](CCO)NCc1cncnc1 270004a_100000706166_100000749868 [0,1,0,0,0,0|3,0,0]=4 6911 B13R1.42 C[C@H](CCO)NCc1cncnc1 34a_100000706166_100015196519 [0,1,0,0,0,0|3,0,0]=4 6912 B13R1.42 C[C@H](CCO)NCc1ncccn1 2230a_100000706166_100000703007 [0,1,0,0,0,0|3,0,0]=4 6913 B13R1.42 C[C@H](CCO)NCc1ncccn1 270004a_100000706166_100011532527 [0,1,0,0,0,0|3,0,0]=4 6914 B13R1.42 C[C@H](CCO)NCc1ncccn1 34a_100000706166_100000703007 [0,1,0,0,0,0|3,0,0]=4 6915 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,0,0,0,0|3,0,0]=4 6916 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100000185753_100011214920 [0,1,0,0,0,0|1,0,2]=4 6917 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100051588842_100000765856 [0,1,0,0,0,0|1,0,2]=4 6918 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [0,1,0,0,0,0|2,0,1]=4 6919 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000001066_100000041952 [0,1,0,0,0,0|2,0,1]=4 6920 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000719477_100000001066 [0,1,0,0,0,0|2,0,1]=4 6921 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,1,0,0,0,0|0,0,3]=4 6922 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,1,0,0,0,0|0,0,3]=4 6923 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,1,0,0,0,0|1,0,1]=3 6924 B13R1.42 O=C(CCF)CCc1ccccn1 1458a_100015195070_100011217306 [0,1,0,0,0,0|2,0,1]=4 6925 B13R1.42 O=C(CCF)CCc1cccnc1 1458a_100000198484_100011217306 [0,1,0,0,0,0|2,0,1]=4 6926 B13R1.42 O=C(CCF)CCc1ccncc1 1458a_100011225043_100011217306 [0,1,0,0,0,0|2,0,1]=4 6927 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,1,0,0,0,0|2,0,1]=4 6928 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,1,0,0,0,0|2,0,1]=4 6929 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,1,0,0,0,0|0,0,1]=2 6930 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,1,0,0,0,0|0,0,1]=2 6931 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [0,1,0,0,0,0|1,0,1]=3 6932 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [0,1,0,0,0,0|1,0,1]=3 6933 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [0,1,0,0,0,0|1,0,1]=3 6934 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [0,1,0,0,0,0|1,0,1]=3 6935 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011216618_100000723409 [0,1,0,0,0,0|1,0,1]=3 6936 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011225043_100000211926 [0,1,0,0,0,0|1,0,1]=3 6937 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,1,0,0,0,0|1,0,1]=3 6938 B13R1.42 O=C(CCO)COc1ccccn1 1458a_100102699861_100000211926 [0,1,0,0,0,0|2,0,1]=4 6939 B13R1.42 O=C(CCO)COc1cccnc1 1458a_100015207166_100000211926 [0,1,0,0,0,0|2,0,1]=4 6940 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,1,0,0,0,0|1,0,1]=3 6941 B13R1.42 O=C(CCO)CSc1ccccn1 1458a_100000156281_100000211926 [0,1,0,0,0,0|2,0,1]=4 6942 B13R1.42 O=C(CCO)CSc1ccncc1 1458a_100000211328_100000211926 [0,1,0,0,0,0|2,0,1]=4 6943 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,1,0,0,0,0|1,0,1]=3 6944 B13R1.42 O=C(CCO)NCc1ccccn1 240690a_100000210449_100011216618 [0,1,0,0,0,0|2,0,1]=4 6945 B13R1.42 O=C(CCO)NCc1cccnc1 240690a_100000210453_100011216618 [0,1,0,0,0,0|2,0,1]=4 6946 B13R1.42 O=C(CCO)NCc1ccncc1 240690a_100000210450_100011216618 [0,1,0,0,0,0|2,0,1]=4 6947 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,1,0,0,0,0|2,0,1]=4 6948 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,1,0,0,0,0|2,0,1]=4 6949 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,1,0,0,0,0|2,0,1]=4 6950 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,1,0,0,0,0|2,0,1]=4 6951 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,1,0,0,0,0|2,0,1]=4 6952 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,1,0,0,0,0|2,0,1]=4 6953 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,1,0,0,0,0|3,0,0]=4 6954 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,0|3,0,0]=4 6955 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,1,0,0,0,0|2,0,1]=4 6956 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,1,0,0,0,0|2,0,1]=4 6957 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [0,1,0,0,0,0|1,0,2]=4 6958 B13R1.44 C#CCCN(C)Cc1ccccc1 2230a_100000186898_100000688953 [0,1,0,0,0,0|2,0,1]=4 6959 B13R1.44 C#CCCN(C)Cc1ccccc1 269982a_100000186898_100000730999 [0,1,0,0,0,0|2,0,1]=4 6960 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [0,1,0,0,0,0|2,0,1]=4 6961 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,1,0,0,0,0|2,0,1]=4 6962 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,1,0,0,0,0|2,0,1]=4 6963 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,1,0,0,0,0|2,0,1]=4 6964 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [0,1,0,0,0,0|2,0,1]=4 6965 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,1,0,0,0,0|1,0,2]=4 6966 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [0,1,0,0,0,0|2,0,1]=4 6967 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [0,1,0,0,0,0|2,0,1]=4 6968 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [0,1,0,0,0,0|2,0,1]=4 6969 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [0,1,0,0,0,0|2,0,1]=4 6970 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [0,1,0,0,0,0|2,0,1]=4 6971 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [0,1,0,0,0,0|2,0,1]=4 6972 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [0,1,0,0,0,0|2,0,1]=4 6973 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [0,1,0,0,0,0|2,0,1]=4 6974 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [0,1,0,0,0,0|2,0,1]=4 6975 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,1,0,0,0,0|2,0,1]=4 6976 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,1,0,0,0,0|2,0,1]=4 6977 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,1,0,0,0,0|2,0,1]=4 6978 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,1,0,0,0,0|2,0,1]=4 6979 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,1,0,0,0,0|2,0,1]=4 6980 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [0,1,0,0,0,0|3,0,0]=4 6981 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,1,0,0,0,0|2,0,0]=3 6982 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,1,0,0,0,0|2,0,0]=3 6983 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [0,1,0,0,0,0|3,0,0]=4 6984 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [0,1,0,0,0,0|3,0,0]=4 6985 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [0,1,0,0,0,0|2,0,0]=3 6986 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,1,0,0,0,0|2,0,0]=3 6987 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,1,0,0,0,0|1,0,0]=2 6988 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,1,0,0,0,0|2,0,1]=4 6989 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,1,0,0,0,0|1,0,2]=4 6990 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,1,0,0,0,0|1,0,2]=4 6991 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,1,0,0,0,0|2,0,0]=3 6992 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,1,0,0,0,0|2,0,0]=3 6993 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,1,0,0,0,0|2,0,0]=3 6994 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,1,0,0,0,0|2,0,0]=3 6995 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,1,0,0,0,0|1,0,0]=2 6996 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,1,0,0,0,0|1,0,0]=2 6997 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [0,1,0,0,0,0|2,0,1]=4 6998 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [0,1,0,0,0,0|2,0,1]=4 6999 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,1,0,0,0,0|1,0,2]=4 7000 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,1,0,0,0,0|1,0,2]=4 7001 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,1,0,0,0,0|2,0,0]=3 7002 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,1,0,0,0,0|2,0,0]=3 7003 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,1,0,0,0,0|1,0,0]=2 7004 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,1,0,0,0,0|1,0,0]=2 7005 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [0,1,0,0,0,0|3,0,0]=4 7006 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [0,1,0,0,0,0|2,0,0]=3 7007 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [0,1,0,0,0,0|3,0,0]=4 7008 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [0,1,0,0,0,0|2,0,0]=3 7009 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [0,1,0,0,0,0|2,0,0]=3 7010 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [0,1,0,0,0,0|2,0,0]=3 7011 B13R1.44 CC(Cc1cnccn1)NCCO 2230a_100011277835_100000211926 [0,1,0,0,0,0|3,0,0]=4 7012 B13R1.44 CC(Cc1cnccn1)NCCO 270004a_100000210304_100015184882 [0,1,0,0,0,0|3,0,0]=4 7013 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,1,0,0,0,0|1,0,2]=4 7014 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,1,0,0,0,0|2,0,1]=4 7015 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,1,0,0,0,0|1,0,1]=3 7016 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,1,0,0,0,0|2,0,1]=4 7017 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,1,0,0,0,0|2,0,1]=4 7018 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,1,0,0,0,0|2,0,1]=4 7019 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,1,0,0,0,0|2,0,1]=4 7020 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,1,0,0,0,0|2,0,1]=4 7021 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,1,0,0,0,0|2,0,1]=4 7022 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,1,0,0,0,0|2,0,1]=4 7023 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,1,0,0,0,0|2,0,1]=4 7024 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,1,0,0,0,0|2,0,1]=4 7025 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,1,0,0,0,0|2,0,0]=3 7026 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,1,0,0,0,0|2,0,0]=3 7027 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,1,0,0,0,0|2,0,0]=3 7028 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,1,0,0,0,0|3,0,0]=4 7029 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,1,0,0,0,0|3,0,0]=4 7030 B13R1.44 CCCCC(C)Oc1ccncc1 34a_100000212176_200011215066 [0,1,0,0,0,0|3,0,0]=4 7031 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,1,0,0,0,0|2,0,0]=3 7032 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,1,0,0,0,0|2,0,0]=3 7033 B13R1.44 CCCCC(C)Sc1ccccn1 62a_100011216584_200011215066 [0,1,0,0,0,0|3,0,0]=4 7034 B13R1.44 CCCCC(C)Sc1ccccn1 62a_200011215066_100011216584 [0,1,0,0,0,0|3,0,0]=4 7035 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [0,1,0,0,0,0|3,0,0]=4 7036 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [0,1,0,0,0,0|3,0,0]=4 7037 B13R1.44 CCCCC(C)Sc1ccncc1 62a_100000728582_200011215066 [0,1,0,0,0,0|3,0,0]=4 7038 B13R1.44 CCCCC(C)Sc1ccncc1 62a_200011215066_100000728582 [0,1,0,0,0,0|3,0,0]=4 7039 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,1,0,0,0,0|2,0,0]=3 7040 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,1,0,0,0,0|2,0,0]=3 7041 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,1,0,0,0,0|2,0,0]=3 7042 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,1,0,0,0,0|2,0,0]=3 7043 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,1,0,0,0,0|2,0,0]=3 7044 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,1,0,0,0,0|2,0,0]=3 7045 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,1,0,0,0,0|2,0,0]=3 7046 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207498_100000210211 [0,1,0,0,0,0|3,0,0]=4 7047 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_100000207549_100000721315 [0,1,0,0,0,0|3,0,0]=4 7048 B13R1.44 CCCCN(C)Cc1ccccn1 2230a_200000200672_200000210301 [0,1,0,0,0,0|3,0,0]=4 7049 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207498_100000210211 [0,1,0,0,0,0|3,0,0]=4 7050 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_100000207549_100000721315 [0,1,0,0,0,0|3,0,0]=4 7051 B13R1.44 CCCCN(C)Cc1ccccn1 269982a_200000200672_200000210301 [0,1,0,0,0,0|3,0,0]=4 7052 B13R1.44 CCCCN(C)Cc1ccccn1 270004a_100000207549_100000209966 [0,1,0,0,0,0|3,0,0]=4 7053 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000184577_100000210211 [0,1,0,0,0,0|3,0,0]=4 7054 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_100000207549_100000741622 [0,1,0,0,0,0|3,0,0]=4 7055 B13R1.44 CCCCN(C)Cc1cccnc1 2230a_200000200674_200000210301 [0,1,0,0,0,0|3,0,0]=4 7056 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000184577_100000210211 [0,1,0,0,0,0|3,0,0]=4 7057 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_100000207549_100000733263 [0,1,0,0,0,0|3,0,0]=4 7058 B13R1.44 CCCCN(C)Cc1cccnc1 269982a_200000200674_200000210301 [0,1,0,0,0,0|3,0,0]=4 7059 B13R1.44 CCCCN(C)Cc1cccnc1 270004a_100000207549_100000209961 [0,1,0,0,0,0|3,0,0]=4 7060 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000187231_100000210211 [0,1,0,0,0,0|3,0,0]=4 7061 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_100000207549_100015193705 [0,1,0,0,0,0|3,0,0]=4 7062 B13R1.44 CCCCN(C)Cc1ccncc1 2230a_200015187765_200000210301 [0,1,0,0,0,0|3,0,0]=4 7063 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000187231_100000210211 [0,1,0,0,0,0|3,0,0]=4 7064 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_100000207549_100015193705 [0,1,0,0,0,0|3,0,0]=4 7065 B13R1.44 CCCCN(C)Cc1ccncc1 269982a_200015187765_200000210301 [0,1,0,0,0,0|3,0,0]=4 7066 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,1,0,0,0,0|2,0,0]=3 7067 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,1,0,0,0,0|2,0,0]=3 7068 B13R1.44 CCCCN([13CH3])Cc1ccccn1 2230a_200000200672_200025704644 [0,1,0,0,0,0|3,0,0]=4 7069 B13R1.44 CCCCN([13CH3])Cc1ccccn1 269982a_200000200672_200025704644 [0,1,0,0,0,0|3,0,0]=4 7070 B13R1.44 CCCCN([13CH3])Cc1cccnc1 2230a_200000200674_200025704644 [0,1,0,0,0,0|3,0,0]=4 7071 B13R1.44 CCCCN([13CH3])Cc1cccnc1 269982a_200000200674_200025704644 [0,1,0,0,0,0|3,0,0]=4 7072 B13R1.44 CCCCN([13CH3])Cc1ccncc1 2230a_200015187765_200025704644 [0,1,0,0,0,0|3,0,0]=4 7073 B13R1.44 CCCCN([13CH3])Cc1ccncc1 269982a_200015187765_200025704644 [0,1,0,0,0,0|3,0,0]=4 7074 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,1,0,0,0,0|3,0,0]=4 7075 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,1,0,0,0,0|3,0,0]=4 7076 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,1,0,0,0,0|3,0,0]=4 7077 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,1,0,0,0,0|3,0,0]=4 7078 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,1,0,0,0,0|3,0,0]=4 7079 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,1,0,0,0,0|2,0,0]=3 7080 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,1,0,0,0,0|2,0,0]=3 7081 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,1,0,0,0,0|2,0,0]=3 7082 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,1,0,0,0,0|2,0,0]=3 7083 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,1,0,0,0,0|2,0,0]=3 7084 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,1,0,0,0,0|2,0,1]=4 7085 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,1,0,0,0,0|3,0,0]=4 7086 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,1,0,0,0,0|3,0,0]=4 7087 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,1,0,0,0,0|2,0,0]=3 7088 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,1,0,0,0,0|2,0,0]=3 7089 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,1,0,0,0,0|2,0,1]=4 7090 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,1,0,0,0,0|2,0,0]=3 7091 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,1,0,0,0,0|2,0,0]=3 7092 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,1,0,0,0,0|3,0,0]=4 7093 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,1,0,0,0,0|3,0,0]=4 7094 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,1,0,0,0,0|2,0,0]=3 7095 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,1,0,0,0,0|3,0,0]=4 7096 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,1,0,0,0,0|2,0,0]=3 7097 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,1,0,0,0,0|2,0,1]=4 7098 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,1,0,0,0,0|2,0,1]=4 7099 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,1,0,0,0,0|2,0,1]=4 7100 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,1,0,0,0,0|2,0,0]=3 7101 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,1,0,0,0,0|2,0,0]=3 7102 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000177507_200000210301 [0,1,0,0,0,0|2,0,1]=4 7103 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000184479_100015291786 [0,1,0,0,0,0|2,0,1]=4 7104 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000186898_100011215226 [0,1,0,0,0,0|2,0,1]=4 7105 B13R1.44 CN(CCC#N)Cc1ccccc1 269982a_100000186898_100011215226 [0,1,0,0,0,0|2,0,1]=4 7106 B13R1.44 CN(CCC#N)Cc1ccccc1 270004a_100000184479_100015611070 [0,1,0,0,0,0|2,0,1]=4 7107 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [0,1,0,0,0,0|2,0,0]=3 7108 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [0,1,0,0,0,0|2,0,0]=3 7109 B13R1.44 CN(CCCF)Cc1ccccn1 2230a_100000207498_100011934791 [0,1,0,0,0,0|3,0,0]=4 7110 B13R1.44 CN(CCCF)Cc1ccccn1 269982a_100000207498_100011934791 [0,1,0,0,0,0|3,0,0]=4 7111 B13R1.44 CN(CCCF)Cc1cccnc1 2230a_100000184577_100011934791 [0,1,0,0,0,0|3,0,0]=4 7112 B13R1.44 CN(CCCF)Cc1cccnc1 269982a_100000184577_100011934791 [0,1,0,0,0,0|3,0,0]=4 7113 B13R1.44 CN(CCCF)Cc1ccncc1 2230a_100000187231_100011934791 [0,1,0,0,0,0|3,0,0]=4 7114 B13R1.44 CN(CCCF)Cc1ccncc1 269982a_100000187231_100011934791 [0,1,0,0,0,0|3,0,0]=4 7115 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,1,0,0,0,0|1,0,0]=2 7116 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,1,0,0,0,0|1,0,0]=2 7117 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,1,0,0,0,0|1,0,0]=2 7118 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,1,0,0,0,0|1,0,0]=2 7119 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,1,0,0,0,0|1,0,0]=2 7120 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,1,0,0,0,0|1,0,0]=2 7121 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,1,0,0,0,0|1,0,0]=2 7122 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000200612_200000210301 [0,1,0,0,0,0|2,0,0]=3 7123 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000207498_100000230001 [0,1,0,0,0,0|2,0,0]=3 7124 B13R1.44 CN(CCCO)Cc1ccccn1 2230a_100000213112_100000721315 [0,1,0,0,0,0|2,0,0]=3 7125 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000200612_200000210301 [0,1,0,0,0,0|2,0,0]=3 7126 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000207498_100011215043 [0,1,0,0,0,0|2,0,0]=3 7127 B13R1.44 CN(CCCO)Cc1ccccn1 269982a_100000213112_100000721315 [0,1,0,0,0,0|2,0,0]=3 7128 B13R1.44 CN(CCCO)Cc1ccccn1 270004a_100000213112_100000209966 [0,1,0,0,0,0|2,0,0]=3 7129 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000184577_100000230001 [0,1,0,0,0,0|2,0,0]=3 7130 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_100000213112_100000741622 [0,1,0,0,0,0|2,0,0]=3 7131 B13R1.44 CN(CCCO)Cc1cccnc1 2230a_114849113521_200000210301 [0,1,0,0,0,0|2,0,0]=3 7132 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000184577_100011215043 [0,1,0,0,0,0|2,0,0]=3 7133 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_100000213112_100000733263 [0,1,0,0,0,0|2,0,0]=3 7134 B13R1.44 CN(CCCO)Cc1cccnc1 269982a_114849113521_200000210301 [0,1,0,0,0,0|2,0,0]=3 7135 B13R1.44 CN(CCCO)Cc1cccnc1 270004a_100000213112_100000209961 [0,1,0,0,0,0|2,0,0]=3 7136 B13R1.44 CN(CCCO)Cc1cccnn1 2230a_100000213112_100016990269 [0,1,0,0,0,0|3,0,0]=4 7137 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_100000187231_100000230001 [0,1,0,0,0,0|2,0,0]=3 7138 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_100000213112_100015193705 [0,1,0,0,0,0|2,0,0]=3 7139 B13R1.44 CN(CCCO)Cc1ccncc1 2230a_106638131412_200000210301 [0,1,0,0,0,0|2,0,0]=3 7140 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_100000187231_100011215043 [0,1,0,0,0,0|2,0,0]=3 7141 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_100000213112_100015193705 [0,1,0,0,0,0|2,0,0]=3 7142 B13R1.44 CN(CCCO)Cc1ccncc1 269982a_106638131412_200000210301 [0,1,0,0,0,0|2,0,0]=3 7143 B13R1.44 CN(CCCO)Cc1ccnnc1 270004a_100000213112_100011934578 [0,1,0,0,0,0|3,0,0]=4 7144 B13R1.44 CN(CCCO)Cc1cnccn1 2230a_100000213112_100016995436 [0,1,0,0,0,0|3,0,0]=4 7145 B13R1.44 CN(CCCO)Cc1cnccn1 2230a_100011269079_100000230001 [0,1,0,0,0,0|3,0,0]=4 7146 B13R1.44 CN(CCCO)Cc1cnccn1 269982a_100000213112_100016995436 [0,1,0,0,0,0|3,0,0]=4 7147 B13R1.44 CN(CCCO)Cc1cnccn1 269982a_100011269079_100011215043 [0,1,0,0,0,0|3,0,0]=4 7148 B13R1.44 CN(CCCO)Cc1cnccn1 270004a_100000213112_100000749867 [0,1,0,0,0,0|3,0,0]=4 7149 B13R1.44 CN(CCCO)Cc1cncnc1 2230a_100000213112_100015196519 [0,1,0,0,0,0|3,0,0]=4 7150 B13R1.44 CN(CCCO)Cc1cncnc1 269982a_100000213112_100016991940 [0,1,0,0,0,0|3,0,0]=4 7151 B13R1.44 CN(CCCO)Cc1cncnc1 270004a_100000213112_100000749868 [0,1,0,0,0,0|3,0,0]=4 7152 B13R1.44 CN(CCCO)Cc1ncccn1 2230a_100000213112_100000703007 [0,1,0,0,0,0|3,0,0]=4 7153 B13R1.44 CN(CCCO)Cc1ncccn1 2230a_100025716638_100000230001 [0,1,0,0,0,0|3,0,0]=4 7154 B13R1.44 CN(CCCO)Cc1ncccn1 269982a_100000213112_100000703007 [0,1,0,0,0,0|3,0,0]=4 7155 B13R1.44 CN(CCCO)Cc1ncccn1 269982a_100025716638_100011215043 [0,1,0,0,0,0|3,0,0]=4 7156 B13R1.44 CN(CCCO)Cc1ncccn1 270004a_100000213112_100011532527 [0,1,0,0,0,0|3,0,0]=4 7157 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [0,1,0,0,0,0|3,0,0]=4 7158 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,1,0,0,0,0|3,0,0]=4 7159 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,1,0,0,0,0|3,0,0]=4 7160 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,1,0,0,0,0|3,0,0]=4 7161 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,1,0,0,0,0|2,0,1]=4 7162 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,1,0,0,0,0|3,0,0]=4 7163 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,1,0,0,0,0|3,0,0]=4 7164 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,1,0,0,0,0|3,0,0]=4 7165 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,1,0,0,0,0|3,0,0]=4 7166 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,1,0,0,0,0|3,0,0]=4 7167 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,1,0,0,0,0|3,0,0]=4 7168 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,1,0,0,0,0|3,0,0]=4 7169 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,1,0,0,0,0|3,0,0]=4 7170 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,1,0,0,0,0|2,0,1]=4 7171 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [0,1,0,0,0,0|3,0,0]=4 7172 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [0,1,0,0,0,0|3,0,0]=4 7173 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [0,1,0,0,0,0|3,0,0]=4 7174 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [0,1,0,0,0,0|3,0,0]=4 7175 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [0,1,0,0,0,0|3,0,0]=4 7176 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [0,1,0,0,0,0|3,0,0]=4 7177 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,1,0,0,0,0|3,0,0]=4 7178 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,1,0,0,0,0|3,0,0]=4 7179 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,1,0,0,0,0|3,0,0]=4 7180 B13R1.44 N#CCCC(=O)Cc1ccccc1 1458a_100011934036_100015291786 [0,1,0,0,0,0|1,0,2]=4 7181 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,1,0,0,0,0|2,0,0]=3 7182 B13R1.44 O=C(C#CCO)Cc1ccccc1 1458a_100000049017_100015291786 [0,1,0,0,0,0|0,0,3]=4 7183 B13R1.44 O=C(CCCF)C[n+]1ccccc1 1458a_200000086051_100011934791 [0,1,0,0,0,0|2,0,1]=4 7184 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,1,0,0,0,0|2,0,1]=4 7185 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,1,0,0,0,0|2,0,1]=4 7186 B13R1.44 O=C(CCCO)C[n+]1ccccc1 1458a_200000086051_100011215043 [0,1,0,0,0,0|1,0,1]=3 7187 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,1,0,0,0,0|1,0,1]=3 7188 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,1,0,0,0,0|1,0,1]=3 7189 B13R1.44 O=C(CCCO)Cc1cncnc1 1458a_100000721575_100011215043 [0,1,0,0,0,0|2,0,1]=4 7190 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100000233483_100015361967 [0,1,0,0,0,0|2,0,1]=4 7191 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100015361967_100000233483 [0,1,0,0,0,0|2,0,1]=4 7192 B13R1.44 O=C(C[n+]1ccccc1)NCCO 240690a_100000210304_200000086051 [0,1,0,0,0,0|2,0,1]=4 7193 B13R1.44 O=C(C[n+]1ccccc1)NCCO 527a_100000210304_200000086051 [0,1,0,0,0,0|2,0,1]=4 7194 B13R1.44 O=C(Cc1cccnc1)NCCO 240690a_100000210304_100000737805 [0,1,0,0,0,0|2,0,1]=4 7195 B13R1.44 O=C(Cc1cccnc1)NCCO 527a_100000210304_100000737805 [0,1,0,0,0,0|2,0,1]=4 7196 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [0,1,0,0,0,0|2,0,1]=4 7197 B13R1.44 O=C(NCCO)Nc1ccccc1 2430a_100000106764_100000210304 [0,1,0,0,0,0|2,0,1]=4 7198 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,1,0,0,0,0|2,0,0]=3 7199 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,1,0,0,0,0|2,0,0]=3 7200 B13R1.44 [13CH3]N(CCC#N)Cc1ccccc1 2230a_100000177507_200025704644 [0,1,0,0,0,0|2,0,1]=4 7201 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,1,0,0,0,0|1,0,0]=2 7202 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,1,0,0,0,0|1,0,0]=2 7203 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 2230a_100000200612_200025704644 [0,1,0,0,0,0|2,0,0]=3 7204 B13R1.44 [13CH3]N(CCCO)Cc1ccccn1 269982a_100000200612_200025704644 [0,1,0,0,0,0|2,0,0]=3 7205 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 2230a_114849113521_200025704644 [0,1,0,0,0,0|2,0,0]=3 7206 B13R1.44 [13CH3]N(CCCO)Cc1cccnc1 269982a_114849113521_200025704644 [0,1,0,0,0,0|2,0,0]=3 7207 B13R1.44 [13CH3]N(CCCO)Cc1ccncc1 2230a_106638131412_200025704644 [0,1,0,0,0,0|2,0,0]=3 7208 B13R1.44 [13CH3]N(CCCO)Cc1ccncc1 269982a_106638131412_200025704644 [0,1,0,0,0,0|2,0,0]=3 7209 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [0,1,0,0,0,0|2,0,1]=4 7210 B13R1.337 C=C(C)CCNCc1ccccc1 2230a_100015324214_100000730704 [0,1,0,0,0,0|2,0,1]=4 7211 B13R1.337 C=C(C)CCNCc1ccccc1 34a_100015324214_100000730704 [0,1,0,0,0,0|2,0,1]=4 7212 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,1,0,0,0,0|2,0,1]=4 7213 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,1,0,0,0,0|2,0,1]=4 7214 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,1,0,0,0,0|2,0,1]=4 7215 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000211182_100000730704 [0,1,0,0,0,0|2,0,1]=4 7216 B13R1.337 C=C(C)CCSCc1ccccc1 62a_100000730704_100015291786 [0,1,0,0,0,0|2,0,1]=4 7217 B13R1.337 C=C(C)CNCCc1ccccc1 2230a_100000106460_100000748629 [0,1,0,0,0,0|2,0,1]=4 7218 B13R1.337 C=C(C)CNCCc1ccccc1 34a_100000106460_100000748629 [0,1,0,0,0,0|2,0,1]=4 7219 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,1,0,0,0,0|2,0,1]=4 7220 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,1,0,0,0,0|2,0,1]=4 7221 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,1,0,0,0,0|2,0,1]=4 7222 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000748629_100011218657 [0,1,0,0,0,0|2,0,1]=4 7223 B13R1.337 C=C(C)CSCCc1ccccc1 62a_100000765856_100000211660 [0,1,0,0,0,0|2,0,1]=4 7224 B13R1.337 C=C(F)CNCCc1ccccc1 2230a_100000106460_100009893438 [0,1,0,0,0,0|2,0,1]=4 7225 B13R1.337 C=C(F)CNCCc1ccccc1 34a_100000106460_100009893438 [0,1,0,0,0,0|2,0,1]=4 7226 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,1,0,0,0,0|2,0,1]=4 7227 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,1,0,0,0,0|2,0,1]=4 7228 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,1,0,0,0,0|2,0,1]=4 7229 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000042424_100011218657 [0,1,0,0,0,0|2,0,1]=4 7230 B13R1.337 C=C(F)CSCCc1ccccc1 62a_100000765856_100000042424 [0,1,0,0,0,0|2,0,1]=4 7231 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,1,0,0,0,0|0,0,2]=3 7232 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,1,0,0,0,0|0,0,2]=3 7233 B13R1.337 CC(=O)CCCCc1ccncc1 1458a_100000070787_100020630000 [0,1,0,0,0,0|1,0,2]=4 7234 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,1,0,0,0,0|1,0,2]=4 7235 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,1,0,0,0,0|1,0,2]=4 7236 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,1,0,0,0,0|1,0,2]=4 7237 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,1,0,0,0,0|1,0,2]=4 7238 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,1,0,0,0,0|1,0,2]=4 7239 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,1,0,0,0,0|1,0,2]=4 7240 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,1,0,0,0,0|1,0,2]=4 7241 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,1,0,0,0,0|1,0,2]=4 7242 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,1,0,0,0,0|1,0,2]=4 7243 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,1,0,0,0,0|1,0,2]=4 7244 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,1,0,0,0,0|1,0,2]=4 7245 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,1,0,0,0,0|1,0,2]=4 7246 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,1,0,0,0,0|1,0,2]=4 7247 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,1,0,0,0,0|1,0,2]=4 7248 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,1,0,0,0,0|1,0,2]=4 7249 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,1,0,0,0,0|1,0,2]=4 7250 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,1,0,0,0,0|1,0,2]=4 7251 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,1,0,0,0,0|1,0,2]=4 7252 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,1,0,0,0,0|1,0,2]=4 7253 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,1,0,0,0,0|1,0,2]=4 7254 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,1,0,0,0,0|1,0,2]=4 7255 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,1,0,0,0,0|1,0,2]=4 7256 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,1,0,0,0,0|1,0,2]=4 7257 B13R1.337 CC(Br)CCOCc1ccccc1 34a_100009893172_100015291786 [0,1,0,0,0,0|2,0,0]=3 7258 B13R1.337 CC(Br)CCOCc1ccccn1 34a_100009893172_100000721315 [0,1,0,0,0,0|3,0,0]=4 7259 B13R1.337 CC(Br)CCOCc1cccnc1 34a_100009893172_100000733263 [0,1,0,0,0,0|3,0,0]=4 7260 B13R1.337 CC(Br)COCCc1ccccc1 34a_100012180447_100000765856 [0,1,0,0,0,0|2,0,0]=3 7261 B13R1.337 CC(C)CCCNc1ccccc1 34a_100000106764_100011214892 [0,1,0,0,0,0|2,0,0]=3 7262 B13R1.337 CC(C)CCCOc1ccccc1 34a_100000210340_100011214892 [0,1,0,0,0,0|2,0,0]=3 7263 B13R1.337 CC(C)CCCOc1ccccc1 7a_100000210340_100011214892 [0,1,0,0,0,0|2,0,0]=3 7264 B13R1.337 CC(C)CCCOc1cccnc1 34a_100000210849_100011214892 [0,1,0,0,0,0|3,0,0]=4 7265 B13R1.337 CC(C)CCCOc1cccnc1 7a_100000210849_100011214892 [0,1,0,0,0,0|3,0,0]=4 7266 B13R1.337 CC(C)CCCOc1ccncc1 34a_100000212176_100011214892 [0,1,0,0,0,0|3,0,0]=4 7267 B13R1.337 CC(C)CCCSc1ccccc1 62a_100000719477_100011214892 [0,1,0,0,0,0|2,0,0]=3 7268 B13R1.337 CC(C)CCCSc1ccccc1 62a_100011214892_100000041952 [0,1,0,0,0,0|2,0,0]=3 7269 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011214892_100011216584 [0,1,0,0,0,0|3,0,0]=4 7270 B13R1.337 CC(C)CCCSc1ccccn1 62a_100011216584_100011214892 [0,1,0,0,0,0|3,0,0]=4 7271 B13R1.337 CC(C)CCCSc1cccnc1 62a_100000210063_100011214892 [0,1,0,0,0,0|3,0,0]=4 7272 B13R1.337 CC(C)CCCSc1cccnc1 62a_100011214892_100000210063 [0,1,0,0,0,0|3,0,0]=4 7273 B13R1.337 CC(C)CCCSc1ccncc1 62a_100000728582_100011214892 [0,1,0,0,0,0|3,0,0]=4 7274 B13R1.337 CC(C)CCCSc1ccncc1 62a_100011214892_100000728582 [0,1,0,0,0,0|3,0,0]=4 7275 B13R1.337 CC(C)CCNCc1ccccc1 207a_100000210545_100015611070 [0,1,0,0,0,0|2,0,0]=3 7276 B13R1.337 CC(C)CCNCc1ccccc1 2230a_100015324214_100000210312 [0,1,0,0,0,0|2,0,0]=3 7277 B13R1.337 CC(C)CCNCc1ccccc1 269862a_100015324214_100000185833 [0,1,0,0,0,0|2,0,0]=3 7278 B13R1.337 CC(C)CCNCc1ccccc1 270004a_100000210545_100015611070 [0,1,0,0,0,0|2,0,0]=3 7279 B13R1.337 CC(C)CCNCc1ccccc1 34a_100015324214_100000210312 [0,1,0,0,0,0|2,0,0]=3 7280 B13R1.337 CC(C)CCNCc1ccccn1 207a_100000210545_100000209966 [0,1,0,0,0,0|3,0,0]=4 7281 B13R1.337 CC(C)CCNCc1ccccn1 270004a_100000210545_100000209966 [0,1,0,0,0,0|3,0,0]=4 7282 B13R1.337 CC(C)CCNCc1cccnc1 207a_100000210545_100000209961 [0,1,0,0,0,0|3,0,0]=4 7283 B13R1.337 CC(C)CCNCc1cccnc1 269862a_100000210453_100000185833 [0,1,0,0,0,0|3,0,0]=4 7284 B13R1.337 CC(C)CCNCc1cccnc1 270004a_100000210545_100000209961 [0,1,0,0,0,0|3,0,0]=4 7285 B13R1.337 CC(C)CCNCc1ccncc1 207a_100000210545_100000186114 [0,1,0,0,0,0|3,0,0]=4 7286 B13R1.337 CC(C)CCNCc1ccncc1 269862a_100000210450_100000185833 [0,1,0,0,0,0|3,0,0]=4 7287 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210254_100015291786 [0,1,0,0,0,0|2,0,0]=3 7288 B13R1.337 CC(C)CCOCc1ccccc1 34a_100000210790_100000210312 [0,1,0,0,0,0|2,0,0]=3 7289 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210254_100000211182 [0,1,0,0,0,0|2,0,0]=3 7290 B13R1.337 CC(C)CCOCc1ccccc1 7a_100000210790_100000210626 [0,1,0,0,0,0|2,0,0]=3 7291 B13R1.337 CC(C)CCOCc1ccccn1 34a_100000210254_100000721315 [0,1,0,0,0,0|3,0,0]=4 7292 B13R1.337 CC(C)CCOCc1ccccn1 7a_100000210254_100000721315 [0,1,0,0,0,0|3,0,0]=4 7293 B13R1.337 CC(C)CCOCc1cccnc1 34a_100000210254_100000733263 [0,1,0,0,0,0|3,0,0]=4 7294 B13R1.337 CC(C)CCOCc1cccnc1 7a_100000210254_100000741622 [0,1,0,0,0,0|3,0,0]=4 7295 B13R1.337 CC(C)CCOCc1ccncc1 7a_100000210254_100015193705 [0,1,0,0,0,0|3,0,0]=4 7296 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000210312_100015291786 [0,1,0,0,0,0|2,0,0]=3 7297 B13R1.337 CC(C)CCSCc1ccccc1 62a_100000211182_100000210312 [0,1,0,0,0,0|2,0,0]=3 7298 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000210312_100000721315 [0,1,0,0,0,0|3,0,0]=4 7299 B13R1.337 CC(C)CCSCc1ccccn1 62a_100000721315_100000210312 [0,1,0,0,0,0|3,0,0]=4 7300 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000210312_100000741622 [0,1,0,0,0,0|3,0,0]=4 7301 B13R1.337 CC(C)CCSCc1cccnc1 62a_100000741622_100000210312 [0,1,0,0,0,0|3,0,0]=4 7302 B13R1.337 CC(C)CCSCc1ccncc1 62a_100000210312_100015193705 [0,1,0,0,0,0|3,0,0]=4 7303 B13R1.337 CC(C)CCSCc1ccncc1 62a_100015193705_100000210312 [0,1,0,0,0,0|3,0,0]=4 7304 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000106460_100000210760 [0,1,0,0,0,0|2,0,0]=3 7305 B13R1.337 CC(C)CNCCc1ccccc1 2230a_100000210953_100000765856 [0,1,0,0,0,0|2,0,0]=3 7306 B13R1.337 CC(C)CNCCc1ccccc1 270004a_100000106460_100000210432 [0,1,0,0,0,0|2,0,0]=3 7307 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000106460_100000210624 [0,1,0,0,0,0|2,0,0]=3 7308 B13R1.337 CC(C)CNCCc1ccccc1 34a_100000210953_100000765856 [0,1,0,0,0,0|2,0,0]=3 7309 B13R1.337 CC(C)CNCCc1ccccn1 2230a_100000210953_100015183660 [0,1,0,0,0,0|3,0,0]=4 7310 B13R1.337 CC(C)CNCCc1ccccn1 270004a_100000211156_100000210432 [0,1,0,0,0,0|3,0,0]=4 7311 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000210953_200011713674 [0,1,0,0,0,0|3,0,0]=4 7312 B13R1.337 CC(C)CNCCc1cccnc1 2230a_100000736294_100000210760 [0,1,0,0,0,0|3,0,0]=4 7313 B13R1.337 CC(C)CNCCc1cccnc1 270004a_100000736294_100000210432 [0,1,0,0,0,0|3,0,0]=4 7314 B13R1.337 CC(C)CNCCc1ccncc1 2230a_100000210953_100000723409 [0,1,0,0,0,0|3,0,0]=4 7315 B13R1.337 CC(C)CNCCc1ccncc1 270004a_100000742849_100000210432 [0,1,0,0,0,0|3,0,0]=4 7316 B13R1.337 CC(C)CNCSc1ccccc1 2230a_100000210953_100011218342 [0,1,0,0,0,0|3,0,0]=4 7317 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210257_100000765856 [0,1,0,0,0,0|2,0,0]=3 7318 B13R1.337 CC(C)COCCc1ccccc1 34a_100000210268_100000210624 [0,1,0,0,0,0|2,0,0]=3 7319 B13R1.337 CC(C)COCCc1ccccc1 7a_100000210268_100000210760 [0,1,0,0,0,0|2,0,0]=3 7320 B13R1.337 CC(C)COCCc1ccccn1 34a_100000210271_100000210624 [0,1,0,0,0,0|3,0,0]=4 7321 B13R1.337 CC(C)COCCc1cccnc1 34a_100011217484_100000210624 [0,1,0,0,0,0|3,0,0]=4 7322 B13R1.337 CC(C)COCCc1ccncc1 34a_100011216225_100000210624 [0,1,0,0,0,0|3,0,0]=4 7323 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000210624_100011218657 [0,1,0,0,0,0|2,0,0]=3 7324 B13R1.337 CC(C)CSCCc1ccccc1 62a_100000765856_100000210760 [0,1,0,0,0,0|2,0,0]=3 7325 B13R1.337 CC(C)CSCCc1ccccn1 62a_100000210624_100015183660 [0,1,0,0,0,0|3,0,0]=4 7326 B13R1.337 CC(C)CSCCc1ccccn1 62a_100015183660_100000210760 [0,1,0,0,0,0|3,0,0]=4 7327 B13R1.337 CC(C)CSCCc1cccnc1 62a_100000210624_200011713674 [0,1,0,0,0,0|3,0,0]=4 7328 B13R1.337 CC(C)CSCCc1cccnc1 62a_200011713674_100000210760 [0,1,0,0,0,0|3,0,0]=4 7329 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000210624_100000723409 [0,1,0,0,0,0|3,0,0]=4 7330 B13R1.337 CC(C)CSCCc1ccncc1 62a_100000723409_100000210760 [0,1,0,0,0,0|3,0,0]=4 7331 B13R1.337 CC(C)CSCSc1ccccc1 62a_100000210624_100011218342 [0,1,0,0,0,0|3,0,0]=4 7332 B13R1.337 CC(C)CSCSc1ccccc1 62a_100011218342_100000210760 [0,1,0,0,0,0|3,0,0]=4 7333 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100000211184_100000210206 [0,1,0,0,0,0|2,0,0]=3 7334 B13R1.337 CC(C)NCCCc1ccccc1 2230a_100138425928_100000211621 [0,1,0,0,0,0|2,0,0]=3 7335 B13R1.337 CC(C)NCCCc1ccccc1 34a_100000211184_100000210206 [0,1,0,0,0,0|2,0,0]=3 7336 B13R1.337 CC(C)NCCCc1ccccc1 34a_100138425928_100000211621 [0,1,0,0,0,0|2,0,0]=3 7337 B13R1.337 CC(C)NCCCc1cccnc1 2230a_100011532358_100000210206 [0,1,0,0,0,0|3,0,0]=4 7338 B13R1.337 CC(C)NCCCc1cccnc1 34a_100011532358_100000210206 [0,1,0,0,0,0|3,0,0]=4 7339 B13R1.337 CC(C)NCCCc1ccncc1 2230a_100011275580_100000210206 [0,1,0,0,0,0|3,0,0]=4 7340 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100000174943_100000210206 [0,1,0,0,0,0|3,0,0]=4 7341 B13R1.337 CC(C)NCCOc1ccccc1 2230a_100138425928_100000184471 [0,1,0,0,0,0|3,0,0]=4 7342 B13R1.337 CC(C)NCCOc1ccccc1 34a_100000174943_100000210206 [0,1,0,0,0,0|3,0,0]=4 7343 B13R1.337 CC(C)NCCOc1ccccc1 34a_100138425928_100000184471 [0,1,0,0,0,0|3,0,0]=4 7344 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100000189519_100000210206 [0,1,0,0,0,0|3,0,0]=4 7345 B13R1.337 CC(C)NCCSc1ccccc1 2230a_100138425928_100000246102 [0,1,0,0,0,0|3,0,0]=4 7346 B13R1.337 CC(C)NCCSc1ccccc1 34a_100138425928_100000246102 [0,1,0,0,0,0|3,0,0]=4 7347 B13R1.337 CC(C)NCOCc1ccccc1 2230a_100138425928_100000763385 [0,1,0,0,0,0|3,0,0]=4 7348 B13R1.337 CC(C)NCOCc1ccccc1 34a_100138425928_100000763385 [0,1,0,0,0,0|3,0,0]=4 7349 B13R1.337 CC(C)NCSCc1ccccc1 2230a_100138425928_200011217039 [0,1,0,0,0,0|3,0,0]=4 7350 B13R1.337 CC(C)NCSCc1ccccc1 34a_100138425928_200011217039 [0,1,0,0,0,0|3,0,0]=4 7351 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000210828_100000210206 [0,1,0,0,0,0|2,0,0]=3 7352 B13R1.337 CC(C)OCCCc1ccccc1 34a_100000212225_100000211621 [0,1,0,0,0,0|2,0,0]=3 7353 B13R1.337 CC(C)OCCCc1ccccc1 7a_100000210828_100000210206 [0,1,0,0,0,0|2,0,0]=3 7354 B13R1.337 CC(C)OCCCc1ccccn1 34a_100011215068_100000210206 [0,1,0,0,0,0|3,0,0]=4 7355 B13R1.337 CC(C)OCCCc1cccnc1 34a_100000211284_100000210206 [0,1,0,0,0,0|3,0,0]=4 7356 B13R1.337 CC(C)OCCCc1ccncc1 34a_100000210659_100000210206 [0,1,0,0,0,0|3,0,0]=4 7357 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000106764_100000211751 [0,1,0,0,0,0|3,0,0]=4 7358 B13R1.337 CC(C)OCCNc1ccccc1 34a_100000211345_100000210206 [0,1,0,0,0,0|3,0,0]=4 7359 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210260_100000210206 [0,1,0,0,0,0|3,0,0]=4 7360 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000210340_100000211751 [0,1,0,0,0,0|3,0,0]=4 7361 B13R1.337 CC(C)OCCOc1ccccc1 34a_100000212225_100000184471 [0,1,0,0,0,0|3,0,0]=4 7362 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210260_100000210206 [0,1,0,0,0,0|3,0,0]=4 7363 B13R1.337 CC(C)OCCOc1ccccc1 7a_100000210340_100000211751 [0,1,0,0,0,0|3,0,0]=4 7364 B13R1.337 CC(C)OCCSc1ccccc1 34a_100000212225_100000246102 [0,1,0,0,0,0|3,0,0]=4 7365 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000211751_100000041952 [0,1,0,0,0,0|3,0,0]=4 7366 B13R1.337 CC(C)OCCSc1ccccc1 62a_100000719477_100000211751 [0,1,0,0,0,0|3,0,0]=4 7367 B13R1.337 CC(C)OCCSc1ccccc1 7a_100000230494_100000210206 [0,1,0,0,0,0|3,0,0]=4 7368 B13R1.337 CC(C)OCNCc1ccccc1 2230a_100015324214_100000709892 [0,1,0,0,0,0|3,0,0]=4 7369 B13R1.337 CC(C)OCNCc1ccccc1 34a_100015324214_100000709892 [0,1,0,0,0,0|3,0,0]=4 7370 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000210790_100000709892 [0,1,0,0,0,0|3,0,0]=4 7371 B13R1.337 CC(C)OCOCc1ccccc1 34a_100000212225_100000763385 [0,1,0,0,0,0|3,0,0]=4 7372 B13R1.337 CC(C)OCSCc1ccccc1 34a_100000212225_200011217039 [0,1,0,0,0,0|3,0,0]=4 7373 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000211182_100000709892 [0,1,0,0,0,0|3,0,0]=4 7374 B13R1.337 CC(C)OCSCc1ccccc1 62a_100000709892_100015291786 [0,1,0,0,0,0|3,0,0]=4 7375 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000210206_100000211621 [0,1,0,0,0,0|2,0,0]=3 7376 B13R1.337 CC(C)SCCCc1ccccc1 62a_100000211621_100000210206 [0,1,0,0,0,0|2,0,0]=3 7377 B13R1.337 CC(C)SCCNc1ccccc1 34a_100000106764_100000730970 [0,1,0,0,0,0|3,0,0]=4 7378 B13R1.337 CC(C)SCCOc1ccccc1 34a_100000210340_100000730970 [0,1,0,0,0,0|3,0,0]=4 7379 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000184471_100000210206 [0,1,0,0,0,0|3,0,0]=4 7380 B13R1.337 CC(C)SCCOc1ccccc1 62a_100000210206_100000184471 [0,1,0,0,0,0|3,0,0]=4 7381 B13R1.337 CC(C)SCCOc1ccccc1 7a_100000210340_100000730970 [0,1,0,0,0,0|3,0,0]=4 7382 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000210206_100000246102 [0,1,0,0,0,0|3,0,0]=4 7383 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000246102_100000210206 [0,1,0,0,0,0|3,0,0]=4 7384 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000719477_100000730970 [0,1,0,0,0,0|3,0,0]=4 7385 B13R1.337 CC(C)SCCSc1ccccc1 62a_100000730970_100000041952 [0,1,0,0,0,0|3,0,0]=4 7386 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000210206_100000763385 [0,1,0,0,0,0|3,0,0]=4 7387 B13R1.337 CC(C)SCOCc1ccccc1 62a_100000763385_100000210206 [0,1,0,0,0,0|3,0,0]=4 7388 B13R1.337 CC(C)SCSCc1ccccc1 62a_100000210206_200011217039 [0,1,0,0,0,0|3,0,0]=4 7389 B13R1.337 CC(C)SCSCc1ccccc1 62a_200011217039_100000210206 [0,1,0,0,0,0|3,0,0]=4 7390 B13R1.337 CC(F)COCCc1ccccc1 34a_100015925927_100000765856 [0,1,0,0,0,0|2,0,0]=3 7391 B13R1.337 CC(O)CCCNc1ccccc1 34a_100000106764_200000718107 [0,1,0,0,0,0|1,0,0]=2 7392 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,1,0,0,0,0|1,0,0]=2 7393 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,1,0,0,0,0|1,0,0]=2 7394 B13R1.337 CC(O)CCCOc1cccnc1 34a_100000210849_200000718107 [0,1,0,0,0,0|2,0,0]=3 7395 B13R1.337 CC(O)CCCOc1cccnc1 7a_100000210849_200000718107 [0,1,0,0,0,0|2,0,0]=3 7396 B13R1.337 CC(O)CCCOc1ccncc1 34a_100000212176_200000718107 [0,1,0,0,0,0|2,0,0]=3 7397 B13R1.337 CC(O)CCCOc1ccnnc1 34a_100015204005_200000718107 [0,1,0,0,0,0|3,0,0]=4 7398 B13R1.337 CC(O)CCCOc1cncnc1 7a_100000754086_200000718107 [0,1,0,0,0,0|3,0,0]=4 7399 B13R1.337 CC(O)CCCSc1ccccc1 62a_100000719477_200000718107 [0,1,0,0,0,0|1,0,0]=2 7400 B13R1.337 CC(O)CCCSc1ccccc1 62a_200000718107_100000041952 [0,1,0,0,0,0|1,0,0]=2 7401 B13R1.337 CC(O)CCCSc1ccccn1 62a_100011216584_200000718107 [0,1,0,0,0,0|2,0,0]=3 7402 B13R1.337 CC(O)CCCSc1ccccn1 62a_200000718107_100011216584 [0,1,0,0,0,0|2,0,0]=3 7403 B13R1.337 CC(O)CCCSc1cccnc1 62a_100000210063_200000718107 [0,1,0,0,0,0|2,0,0]=3 7404 B13R1.337 CC(O)CCCSc1cccnc1 62a_200000718107_100000210063 [0,1,0,0,0,0|2,0,0]=3 7405 B13R1.337 CC(O)CCCSc1cccnn1 62a_100016991348_200000718107 [0,1,0,0,0,0|3,0,0]=4 7406 B13R1.337 CC(O)CCCSc1cccnn1 62a_200000718107_100016991348 [0,1,0,0,0,0|3,0,0]=4 7407 B13R1.337 CC(O)CCCSc1ccncc1 62a_100000728582_200000718107 [0,1,0,0,0,0|2,0,0]=3 7408 B13R1.337 CC(O)CCCSc1ccncc1 62a_200000718107_100000728582 [0,1,0,0,0,0|2,0,0]=3 7409 B13R1.337 CC(O)CCCSc1ccncn1 62a_100000703185_200000718107 [0,1,0,0,0,0|3,0,0]=4 7410 B13R1.337 CC(O)CCCSc1ccncn1 62a_200000718107_100000703185 [0,1,0,0,0,0|3,0,0]=4 7411 B13R1.337 CC(O)CCCSc1ccnnc1 62a_100000732662_200000718107 [0,1,0,0,0,0|3,0,0]=4 7412 B13R1.337 CC(O)CCCSc1ccnnc1 62a_200000718107_100000732662 [0,1,0,0,0,0|3,0,0]=4 7413 B13R1.337 CC(O)CCCSc1cnccn1 62a_100000211759_200000718107 [0,1,0,0,0,0|3,0,0]=4 7414 B13R1.337 CC(O)CCCSc1cnccn1 62a_200000718107_100000211759 [0,1,0,0,0,0|3,0,0]=4 7415 B13R1.337 CC(O)CCCSc1cncnc1 62a_100011206942_200000718107 [0,1,0,0,0,0|3,0,0]=4 7416 B13R1.337 CC(O)CCCSc1cncnc1 62a_200000718107_100011206942 [0,1,0,0,0,0|3,0,0]=4 7417 B13R1.337 CC(O)CCCSc1ncccn1 62a_100000211032_200000718107 [0,1,0,0,0,0|3,0,0]=4 7418 B13R1.337 CC(O)CCCSc1ncccn1 62a_200000718107_100000211032 [0,1,0,0,0,0|3,0,0]=4 7419 B13R1.337 CC(O)CCNCc1ccccc1 207a_200000755665_100015611070 [0,1,0,0,0,0|1,0,0]=2 7420 B13R1.337 CC(O)CCNCc1ccccc1 2230a_100015324214_100012276601 [0,1,0,0,0,0|1,0,0]=2 7421 B13R1.337 CC(O)CCNCc1ccccc1 2230a_200000755665_100015291786 [0,1,0,0,0,0|1,0,0]=2 7422 B13R1.337 CC(O)CCNCc1ccccc1 270004a_200000755665_100015611070 [0,1,0,0,0,0|1,0,0]=2 7423 B13R1.337 CC(O)CCNCc1ccccc1 34a_100015324214_100012276601 [0,1,0,0,0,0|1,0,0]=2 7424 B13R1.337 CC(O)CCNCc1ccccn1 207a_200000755665_100000209966 [0,1,0,0,0,0|2,0,0]=3 7425 B13R1.337 CC(O)CCNCc1ccccn1 2230a_200000755665_100000721315 [0,1,0,0,0,0|2,0,0]=3 7426 B13R1.337 CC(O)CCNCc1ccccn1 270004a_200000755665_100000209966 [0,1,0,0,0,0|2,0,0]=3 7427 B13R1.337 CC(O)CCNCc1cccnc1 207a_200000755665_100000209961 [0,1,0,0,0,0|2,0,0]=3 7428 B13R1.337 CC(O)CCNCc1cccnc1 2230a_200000755665_100000741622 [0,1,0,0,0,0|2,0,0]=3 7429 B13R1.337 CC(O)CCNCc1cccnc1 270004a_200000755665_100000209961 [0,1,0,0,0,0|2,0,0]=3 7430 B13R1.337 CC(O)CCNCc1cccnn1 2230a_100159270163_100012276601 [0,1,0,0,0,0|3,0,0]=4 7431 B13R1.337 CC(O)CCNCc1cccnn1 2230a_200000755665_100016990269 [0,1,0,0,0,0|3,0,0]=4 7432 B13R1.337 CC(O)CCNCc1ccncc1 207a_200000755665_100000186114 [0,1,0,0,0,0|2,0,0]=3 7433 B13R1.337 CC(O)CCNCc1ccncc1 2230a_200000755665_100015193705 [0,1,0,0,0,0|2,0,0]=3 7434 B13R1.337 CC(O)CCNCc1ccnnc1 270004a_200000755665_100011934578 [0,1,0,0,0,0|3,0,0]=4 7435 B13R1.337 CC(O)CCNCc1cnccn1 2230a_200000755665_100016995436 [0,1,0,0,0,0|3,0,0]=4 7436 B13R1.337 CC(O)CCNCc1cnccn1 270004a_200000755665_100000749867 [0,1,0,0,0,0|3,0,0]=4 7437 B13R1.337 CC(O)CCNCc1cncnc1 2230a_100011243677_100012276601 [0,1,0,0,0,0|3,0,0]=4 7438 B13R1.337 CC(O)CCNCc1cncnc1 2230a_200000755665_100015196519 [0,1,0,0,0,0|3,0,0]=4 7439 B13R1.337 CC(O)CCNCc1cncnc1 270004a_200000755665_100000749868 [0,1,0,0,0,0|3,0,0]=4 7440 B13R1.337 CC(O)CCNCc1ncccn1 2230a_200000755665_100000703007 [0,1,0,0,0,0|3,0,0]=4 7441 B13R1.337 CC(O)CCNCc1ncccn1 270004a_200000755665_100011532527 [0,1,0,0,0,0|3,0,0]=4 7442 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,1,0,0,0,0|1,0,0]=2 7443 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,1,0,0,0,0|1,0,0]=2 7444 B13R1.337 CC(O)CCSCc1ccccc1 62a_100000211182_100012276601 [0,1,0,0,0,0|1,0,0]=2 7445 B13R1.337 CC(O)CCSCc1ccccc1 62a_100012276601_100015291786 [0,1,0,0,0,0|1,0,0]=2 7446 B13R1.337 CC(O)CCSCc1ccccn1 62a_100000721315_100012276601 [0,1,0,0,0,0|2,0,0]=3 7447 B13R1.337 CC(O)CCSCc1ccccn1 62a_100012276601_100000721315 [0,1,0,0,0,0|2,0,0]=3 7448 B13R1.337 CC(O)CCSCc1cccnc1 62a_100000741622_100012276601 [0,1,0,0,0,0|2,0,0]=3 7449 B13R1.337 CC(O)CCSCc1cccnc1 62a_100012276601_100000741622 [0,1,0,0,0,0|2,0,0]=3 7450 B13R1.337 CC(O)CCSCc1cccnn1 62a_100012276601_100016990269 [0,1,0,0,0,0|3,0,0]=4 7451 B13R1.337 CC(O)CCSCc1cccnn1 62a_100016990269_100012276601 [0,1,0,0,0,0|3,0,0]=4 7452 B13R1.337 CC(O)CCSCc1ccncc1 62a_100012276601_100015193705 [0,1,0,0,0,0|2,0,0]=3 7453 B13R1.337 CC(O)CCSCc1ccncc1 62a_100015193705_100012276601 [0,1,0,0,0,0|2,0,0]=3 7454 B13R1.337 CC(O)CCSCc1cnccn1 62a_100012276601_100016995436 [0,1,0,0,0,0|3,0,0]=4 7455 B13R1.337 CC(O)CCSCc1cnccn1 62a_100016995436_100012276601 [0,1,0,0,0,0|3,0,0]=4 7456 B13R1.337 CC(O)CCSCc1cncnc1 62a_100012276601_100015196519 [0,1,0,0,0,0|3,0,0]=4 7457 B13R1.337 CC(O)CCSCc1cncnc1 62a_100015196519_100012276601 [0,1,0,0,0,0|3,0,0]=4 7458 B13R1.337 CC(O)CCSCc1ncccn1 62a_100000703007_100012276601 [0,1,0,0,0,0|3,0,0]=4 7459 B13R1.337 CC(O)CCSCc1ncccn1 62a_100012276601_100000703007 [0,1,0,0,0,0|3,0,0]=4 7460 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000106460_100011218427 [0,1,0,0,0,0|1,0,0]=2 7461 B13R1.337 CC(O)CNCCc1ccccc1 2230a_100000210904_100000765856 [0,1,0,0,0,0|1,0,0]=2 7462 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000106460_100011218427 [0,1,0,0,0,0|1,0,0]=2 7463 B13R1.337 CC(O)CNCCc1ccccc1 34a_100000210904_100000765856 [0,1,0,0,0,0|1,0,0]=2 7464 B13R1.337 CC(O)CNCCc1ccccn1 2230a_100000210904_100015183660 [0,1,0,0,0,0|2,0,0]=3 7465 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000210904_200011713674 [0,1,0,0,0,0|2,0,0]=3 7466 B13R1.337 CC(O)CNCCc1cccnc1 2230a_100000736294_100011218427 [0,1,0,0,0,0|2,0,0]=3 7467 B13R1.337 CC(O)CNCCc1ccncc1 2230a_100000210904_100000723409 [0,1,0,0,0,0|2,0,0]=3 7468 B13R1.337 CC(O)CNCSc1ccccc1 2230a_100000210904_100011218342 [0,1,0,0,0,0|2,0,0]=3 7469 B13R1.337 CC(O)CNN=Cc1ccccc1 4a_200000730056_100015611070 [0,1,0,0,0,0|2,0,1]=4 7470 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,1,0,0,0,0|1,0,0]=2 7471 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,1,0,0,0,0|1,0,0]=2 7472 B13R1.337 CC(O)COCCc1ccccn1 34a_100000210271_100011218427 [0,1,0,0,0,0|2,0,0]=3 7473 B13R1.337 CC(O)COCCc1cccnc1 34a_100011217484_100011218427 [0,1,0,0,0,0|2,0,0]=3 7474 B13R1.337 CC(O)COCCc1ccncc1 34a_100011216225_100011218427 [0,1,0,0,0,0|2,0,0]=3 7475 B13R1.337 CC(O)COCCc1cnccn1 34a_100011349526_100011218427 [0,1,0,0,0,0|3,0,0]=4 7476 B13R1.337 CC(O)COCCc1cncnc1 34a_100011709255_100011218427 [0,1,0,0,0,0|3,0,0]=4 7477 B13R1.337 CC(O)CSCCc1ccccc1 62a_100000765856_100011218427 [0,1,0,0,0,0|1,0,0]=2 7478 B13R1.337 CC(O)CSCCc1ccccc1 62a_100011218427_100011218657 [0,1,0,0,0,0|1,0,0]=2 7479 B13R1.337 CC(O)CSCCc1ccccn1 62a_100011218427_100015183660 [0,1,0,0,0,0|2,0,0]=3 7480 B13R1.337 CC(O)CSCCc1ccccn1 62a_100015183660_100011218427 [0,1,0,0,0,0|2,0,0]=3 7481 B13R1.337 CC(O)CSCCc1cccnc1 62a_100011218427_200011713674 [0,1,0,0,0,0|2,0,0]=3 7482 B13R1.337 CC(O)CSCCc1cccnc1 62a_200011713674_100011218427 [0,1,0,0,0,0|2,0,0]=3 7483 B13R1.337 CC(O)CSCCc1ccncc1 62a_100000723409_100011218427 [0,1,0,0,0,0|2,0,0]=3 7484 B13R1.337 CC(O)CSCCc1ccncc1 62a_100011218427_100000723409 [0,1,0,0,0,0|2,0,0]=3 7485 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218342_100011218427 [0,1,0,0,0,0|2,0,0]=3 7486 B13R1.337 CC(O)CSCSc1ccccc1 62a_100011218427_100011218342 [0,1,0,0,0,0|2,0,0]=3 7487 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100000741445_200000210301 [0,1,0,0,0,0|2,0,0]=3 7488 B13R1.337 CN(C)CCCCc1ccccc1 2230a_100102631434_100000701786 [0,1,0,0,0,0|2,0,0]=3 7489 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100000741445_200000210301 [0,1,0,0,0,0|2,0,0]=3 7490 B13R1.337 CN(C)CCCCc1ccccc1 269982a_100102631434_100000701786 [0,1,0,0,0,0|2,0,0]=3 7491 B13R1.337 CN(C)CCCCc1ccccc1 34a_100000741445_200000210301 [0,1,0,0,0,0|2,0,0]=3 7492 B13R1.337 CN(C)CCCCc1ccncc1 2230a_100102631434_100020630000 [0,1,0,0,0,0|3,0,0]=4 7493 B13R1.337 CN(C)CCCCc1ccncc1 269982a_100102631434_100020630000 [0,1,0,0,0,0|3,0,0]=4 7494 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100000225623_200000210301 [0,1,0,0,0,0|3,0,0]=4 7495 B13R1.337 CN(C)CCCOc1ccccc1 2230a_100102631434_100000199009 [0,1,0,0,0,0|3,0,0]=4 7496 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100000225623_200000210301 [0,1,0,0,0,0|3,0,0]=4 7497 B13R1.337 CN(C)CCCOc1ccccc1 269982a_100102631434_100000199009 [0,1,0,0,0,0|3,0,0]=4 7498 B13R1.337 CN(C)CCCOc1ccccc1 7a_100000210340_100000757444 [0,1,0,0,0,0|3,0,0]=4 7499 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100015183843_200000210301 [0,1,0,0,0,0|3,0,0]=4 7500 B13R1.337 CN(C)CCCSc1ccccc1 2230a_100102631434_200011203293 [0,1,0,0,0,0|3,0,0]=4 7501 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100015183843_200000210301 [0,1,0,0,0,0|3,0,0]=4 7502 B13R1.337 CN(C)CCCSc1ccccc1 269982a_100102631434_200011203293 [0,1,0,0,0,0|3,0,0]=4 7503 B13R1.337 CN(C)CCCSc1ccccc1 62a_100000719477_100000757444 [0,1,0,0,0,0|3,0,0]=4 7504 B13R1.337 CN(C)CCNCc1ccccc1 207a_100000210585_100015611070 [0,1,0,0,0,0|3,0,0]=4 7505 B13R1.337 CN(C)CCNCc1ccccc1 270004a_100000210585_100015611070 [0,1,0,0,0,0|3,0,0]=4 7506 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100000687121_200000210301 [0,1,0,0,0,0|3,0,0]=4 7507 B13R1.337 CN(C)CCOCc1ccccc1 2230a_100102631434_100000234347 [0,1,0,0,0,0|3,0,0]=4 7508 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100000687121_200000210301 [0,1,0,0,0,0|3,0,0]=4 7509 B13R1.337 CN(C)CCOCc1ccccc1 269982a_100102631434_100000234347 [0,1,0,0,0,0|3,0,0]=4 7510 B13R1.337 CN(C)CCOCc1ccccc1 7a_100000210790_100000755713 [0,1,0,0,0,0|3,0,0]=4 7511 B13R1.337 CN(C)CCSCc1ccccc1 2230a_100102631434_200011297719 [0,1,0,0,0,0|3,0,0]=4 7512 B13R1.337 CN(C)CCSCc1ccccc1 269982a_100102631434_200011297719 [0,1,0,0,0,0|3,0,0]=4 7513 B13R1.337 CN(C)CCSCc1ccccc1 62a_100000211182_100000755713 [0,1,0,0,0,0|3,0,0]=4 7514 B13R1.337 CN([13CH3])CCCCc1ccccc1 2230a_100000741445_200025704644 [0,1,0,0,0,0|2,0,0]=3 7515 B13R1.337 CN([13CH3])CCCCc1ccccc1 269982a_100000741445_200025704644 [0,1,0,0,0,0|2,0,0]=3 7516 B13R1.337 CN([13CH3])CCCCc1ccccc1 34a_100000741445_200025704644 [0,1,0,0,0,0|2,0,0]=3 7517 B13R1.337 CN([13CH3])CCCOc1ccccc1 2230a_100000225623_200025704644 [0,1,0,0,0,0|3,0,0]=4 7518 B13R1.337 CN([13CH3])CCCOc1ccccc1 269982a_100000225623_200025704644 [0,1,0,0,0,0|3,0,0]=4 7519 B13R1.337 CN([13CH3])CCCSc1ccccc1 2230a_100015183843_200025704644 [0,1,0,0,0,0|3,0,0]=4 7520 B13R1.337 CN([13CH3])CCCSc1ccccc1 269982a_100015183843_200025704644 [0,1,0,0,0,0|3,0,0]=4 7521 B13R1.337 CN([13CH3])CCOCc1ccccc1 2230a_100000687121_200025704644 [0,1,0,0,0,0|3,0,0]=4 7522 B13R1.337 CN([13CH3])CCOCc1ccccc1 269982a_100000687121_200025704644 [0,1,0,0,0,0|3,0,0]=4 7523 B13R1.337 C[C@@H](Cl)COCCc1ccccc1 34a_100016084084_100000765856 [0,1,0,0,0,0|2,0,0]=3 7524 B13R1.337 C[C@@H](N)CCOCc1ccccc1 34a_100000706166_100015291786 [0,1,0,0,0,0|2,0,0]=3 7525 B13R1.337 C[C@@H](N)CCOCc1ccccn1 34a_100000706166_100000721315 [0,1,0,0,0,0|3,0,0]=4 7526 B13R1.337 C[C@@H](N)CCOCc1cccnc1 34a_100000706166_100000733263 [0,1,0,0,0,0|3,0,0]=4 7527 B13R1.337 C[C@@H](N)COCCc1ccccc1 34a_100000737577_100000765856 [0,1,0,0,0,0|2,0,0]=3 7528 B13R1.337 C[C@@H](O)CNCCc1ccccc1 2230a_100000106460_100009817552 [0,1,0,0,0,0|1,0,0]=2 7529 B13R1.337 C[C@@H](O)CNCCc1ccccc1 34a_100000106460_100009817552 [0,1,0,0,0,0|1,0,0]=2 7530 B13R1.337 C[C@@H](O)CNCCc1cccnc1 2230a_100000736294_100009817552 [0,1,0,0,0,0|2,0,0]=3 7531 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,1,0,0,0,0|1,0,0]=2 7532 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,1,0,0,0,0|1,0,0]=2 7533 B13R1.337 C[C@@H](O)COCCc1ccccn1 34a_100000210271_100009817552 [0,1,0,0,0,0|2,0,0]=3 7534 B13R1.337 C[C@@H](O)COCCc1cccnc1 34a_100011217484_100009817552 [0,1,0,0,0,0|2,0,0]=3 7535 B13R1.337 C[C@@H](O)COCCc1ccncc1 34a_100011216225_100009817552 [0,1,0,0,0,0|2,0,0]=3 7536 B13R1.337 C[C@@H](O)COCCc1cnccn1 34a_100011349526_100009817552 [0,1,0,0,0,0|3,0,0]=4 7537 B13R1.337 C[C@@H](O)COCCc1cncnc1 34a_100011709255_100009817552 [0,1,0,0,0,0|3,0,0]=4 7538 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100000765856_100009817552 [0,1,0,0,0,0|1,0,0]=2 7539 B13R1.337 C[C@@H](O)CSCCc1ccccc1 62a_100009817552_100011218657 [0,1,0,0,0,0|1,0,0]=2 7540 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100009817552_100015183660 [0,1,0,0,0,0|2,0,0]=3 7541 B13R1.337 C[C@@H](O)CSCCc1ccccn1 62a_100015183660_100009817552 [0,1,0,0,0,0|2,0,0]=3 7542 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_100009817552_200011713674 [0,1,0,0,0,0|2,0,0]=3 7543 B13R1.337 C[C@@H](O)CSCCc1cccnc1 62a_200011713674_100009817552 [0,1,0,0,0,0|2,0,0]=3 7544 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100000723409_100009817552 [0,1,0,0,0,0|2,0,0]=3 7545 B13R1.337 C[C@@H](O)CSCCc1ccncc1 62a_100009817552_100000723409 [0,1,0,0,0,0|2,0,0]=3 7546 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100009817552_100011218342 [0,1,0,0,0,0|2,0,0]=3 7547 B13R1.337 C[C@@H](O)CSCSc1ccccc1 62a_100011218342_100009817552 [0,1,0,0,0,0|2,0,0]=3 7548 B13R1.337 FC(F)CCOCc1ccccc1 34a_100103093639_100015291786 [0,1,0,0,0,0|2,0,0]=3 7549 B13R1.337 FC(F)CCOCc1ccccn1 34a_100103093639_100000721315 [0,1,0,0,0,0|3,0,0]=4 7550 B13R1.337 FC(F)CCOCc1cccnc1 34a_100103093639_100000733263 [0,1,0,0,0,0|3,0,0]=4 7551 B13R1.337 FC(F)CNCCc1ccccc1 2230a_100000106460_100011934356 [0,1,0,0,0,0|2,0,0]=3 7552 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000106460_100011934356 [0,1,0,0,0,0|2,0,0]=3 7553 B13R1.337 FC(F)CNCCc1ccccc1 34a_100000765723_100000765856 [0,1,0,0,0,0|2,0,0]=3 7554 B13R1.337 FC(F)CNCCc1cccnc1 2230a_100000736294_100011934356 [0,1,0,0,0,0|3,0,0]=4 7555 B13R1.337 FC(F)COCCc1ccccc1 34a_100000210268_100011934356 [0,1,0,0,0,0|2,0,0]=3 7556 B13R1.337 FC(F)COCCc1ccccc1 34a_100000743014_100000765856 [0,1,0,0,0,0|2,0,0]=3 7557 B13R1.337 FC(F)COCCc1ccccc1 7a_100000210268_100011934356 [0,1,0,0,0,0|2,0,0]=3 7558 B13R1.337 FC(F)COCCc1ccccn1 34a_100000210271_100011934356 [0,1,0,0,0,0|3,0,0]=4 7559 B13R1.337 FC(F)COCCc1cccnc1 34a_100011217484_100011934356 [0,1,0,0,0,0|3,0,0]=4 7560 B13R1.337 FC(F)COCCc1ccncc1 34a_100011216225_100011934356 [0,1,0,0,0,0|3,0,0]=4 7561 B13R1.337 FC(F)CSCCc1ccccc1 62a_100000765856_100011934356 [0,1,0,0,0,0|2,0,0]=3 7562 B13R1.337 FC(F)CSCCc1ccccc1 62a_100011934356_100011218657 [0,1,0,0,0,0|2,0,0]=3 7563 B13R1.337 FC(F)CSCCc1ccccn1 62a_100011934356_100015183660 [0,1,0,0,0,0|3,0,0]=4 7564 B13R1.337 FC(F)CSCCc1ccccn1 62a_100015183660_100011934356 [0,1,0,0,0,0|3,0,0]=4 7565 B13R1.337 FC(F)CSCCc1cccnc1 62a_100011934356_200011713674 [0,1,0,0,0,0|3,0,0]=4 7566 B13R1.337 FC(F)CSCCc1cccnc1 62a_200011713674_100011934356 [0,1,0,0,0,0|3,0,0]=4 7567 B13R1.337 FC(F)CSCCc1ccncc1 62a_100000723409_100011934356 [0,1,0,0,0,0|3,0,0]=4 7568 B13R1.337 FC(F)CSCCc1ccncc1 62a_100011934356_100000723409 [0,1,0,0,0,0|3,0,0]=4 7569 B13R1.337 FC(F)CSCSc1ccccc1 62a_100011218342_100011934356 [0,1,0,0,0,0|3,0,0]=4 7570 B13R1.337 FC(F)CSCSc1ccccc1 62a_100011934356_100011218342 [0,1,0,0,0,0|3,0,0]=4 7571 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,1,0,0,0,0|1,0,2]=4 7572 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,1,0,0,0,0|1,0,2]=4 7573 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,1,0,0,0,0|1,0,2]=4 7574 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,1,0,0,0,0|1,0,2]=4 7575 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,1,0,0,0,0|1,0,2]=4 7576 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,1,0,0,0,0|1,0,2]=4 7577 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,1,0,0,0,0|1,0,2]=4 7578 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,1,0,0,0,0|1,0,2]=4 7579 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,1,0,0,0,0|1,0,2]=4 7580 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,1,0,0,0,0|1,0,2]=4 7581 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,1,0,0,0,0|1,0,2]=4 7582 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,1,0,0,0,0|1,0,2]=4 7583 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,1,0,0,0,0|1,0,2]=4 7584 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,1,0,0,0,0|1,0,2]=4 7585 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,1,0,0,0,0|1,0,2]=4 7586 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,1,0,0,0,0|1,0,2]=4 7587 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,1,0,0,0,0|1,0,2]=4 7588 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,1,0,0,0,0|1,0,2]=4 7589 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,1,0,0,0,0|1,0,2]=4 7590 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,1,0,0,0,0|1,0,2]=4 7591 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,1,0,0,0,0|1,0,2]=4 7592 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,1,0,0,0,0|1,0,1]=3 7593 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,1,0,0,0,0|2,0,1]=4 7594 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [0,1,0,0,0,0|2,0,1]=4 7595 B13R1.337 O=C(O)CNCCc1ccncc1 269956a_100016091260_100000723409 [0,1,0,0,0,0|2,0,1]=4 7596 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,1,0,0,0,0|2,0,1]=4 7597 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,1,0,0,0,0|2,0,1]=4 7598 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [0,1,0,0,0,0|1,0,2]=4 7599 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,1,0,0,0,0|1,0,2]=4 7600 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,1,0,0,0,0|1,0,2]=4 7601 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,1,0,0,0,0|1,0,2]=4 7602 B13R1.337 O=[N+]([O-])CNCCc1ccccc1 34a_100000106460_100000761209 [0,1,0,0,0,0|2,0,1]=4 7603 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [0,1,0,0,0,0|2,0,1]=4 7604 B13R1.337 O=[N+]([O-])CSCCc1ccccc1 62a_100000765856_100000761209 [0,1,0,0,0,0|2,0,1]=4 7605 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,1,0,0,0,0|0,0,2]=3 7606 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,1,0,0,0,0|1,0,2]=4 7607 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,1,0,0,0,0|1,0,2]=4 7608 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,1,0,0,0,0|1,0,2]=4 7609 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,1,0,0,0,0|1,0,2]=4 7610 B13R1.555 BrCCCOCc1ccccc1Br 34a_100011217188_100000184730 [0,1,0,0,0,0|2,0,0]=3 7611 B13R1.555 BrCCCOCc1ccccc1I 34a_100011217188_100011215278 [0,1,0,0,0,0|2,0,0]=3 7612 B13R1.555 BrCCCOCc1cccnc1Br 34a_100011217188_100010140945 [0,1,0,0,0,0|3,0,0]=4 7613 B13R1.555 BrCCCOCc1ncccc1Br 34a_100011217188_100025702911 [0,1,0,0,0,0|3,0,0]=4 7614 B13R1.555 BrCCOCCc1ccccc1Br 34a_100000211926_100012161201 [0,1,0,0,0,0|2,0,0]=3 7615 B13R1.555 C#CCCCNc1ccccc1Br 34a_100000210017_100000695029 [0,1,0,0,0,0|2,0,1]=4 7616 B13R1.555 C#CCCCNc1ccccc1C 34a_100015192222_100000695029 [0,1,0,0,0,0|2,0,1]=4 7617 B13R1.555 C#CCCCNc1ccccc1Cl 34a_100000185783_100000695029 [0,1,0,0,0,0|2,0,1]=4 7618 B13R1.555 C#CCCCNc1ccccc1F 34a_100000210422_100000695029 [0,1,0,0,0,0|2,0,1]=4 7619 B13R1.555 C#CCCCNc1ccccc1I 34a_100000210053_100000695029 [0,1,0,0,0,0|2,0,1]=4 7620 B13R1.555 C#CCCCNc1ccccc1O 34a_100000185747_100000695029 [0,1,0,0,0,0|2,0,1]=4 7621 B13R1.555 C#CCCCOc1ccccc1Br 34a_100000181306_100000695029 [0,1,0,0,0,0|2,0,1]=4 7622 B13R1.555 C#CCCCOc1ccccc1Br 7a_100000181306_100011215417 [0,1,0,0,0,0|2,0,1]=4 7623 B13R1.555 C#CCCCOc1ccccc1C 34a_100000210338_100000695029 [0,1,0,0,0,0|2,0,1]=4 7624 B13R1.555 C#CCCCOc1ccccc1C 7a_100000210338_100011215417 [0,1,0,0,0,0|2,0,1]=4 7625 B13R1.555 C#CCCCOc1ccccc1Cl 34a_100000210172_100000695029 [0,1,0,0,0,0|2,0,1]=4 7626 B13R1.555 C#CCCCOc1ccccc1Cl 7a_100000210172_100011215417 [0,1,0,0,0,0|2,0,1]=4 7627 B13R1.555 C#CCCCOc1ccccc1F 34a_100000210171_100000695029 [0,1,0,0,0,0|2,0,1]=4 7628 B13R1.555 C#CCCCOc1ccccc1F 7a_100000210171_100011215417 [0,1,0,0,0,0|2,0,1]=4 7629 B13R1.555 C#CCCCOc1ccccc1I 34a_100000739446_100000695029 [0,1,0,0,0,0|2,0,1]=4 7630 B13R1.555 C#CCCCOc1ccccc1I 7a_100000739446_100011215417 [0,1,0,0,0,0|2,0,1]=4 7631 B13R1.555 C#CCCCOc1ccccc1N 34a_100000185747_100000695029 [0,1,0,0,0,0|2,0,1]=4 7632 B13R1.555 C#CCCCOc1ccccc1N 7a_100000185747_100011215417 [0,1,0,0,0,0|2,0,1]=4 7633 B13R1.555 C#CCCCSc1ccccc1Br 62a_100000695589_100011215417 [0,1,0,0,0,0|2,0,1]=4 7634 B13R1.555 C#CCCCSc1ccccc1Br 62a_100011215417_100000695589 [0,1,0,0,0,0|2,0,1]=4 7635 B13R1.555 C#CCCCSc1ccccc1C 62a_100000210755_100011215417 [0,1,0,0,0,0|2,0,1]=4 7636 B13R1.555 C#CCCCSc1ccccc1C 62a_100011215417_100000210755 [0,1,0,0,0,0|2,0,1]=4 7637 B13R1.555 C#CCCCSc1ccccc1Cl 62a_100000764095_100011215417 [0,1,0,0,0,0|2,0,1]=4 7638 B13R1.555 C#CCCCSc1ccccc1Cl 62a_100011215417_100000764095 [0,1,0,0,0,0|2,0,1]=4 7639 B13R1.555 C#CCCCSc1ccccc1F 62a_100011215417_100011215700 [0,1,0,0,0,0|2,0,1]=4 7640 B13R1.555 C#CCCCSc1ccccc1F 62a_100011215700_100011215417 [0,1,0,0,0,0|2,0,1]=4 7641 B13R1.555 C#CCCCSc1ccccc1N 62a_100000210017_100011215417 [0,1,0,0,0,0|2,0,1]=4 7642 B13R1.555 C#CCCCSc1ccccc1N 62a_100011215417_100000210017 [0,1,0,0,0,0|2,0,1]=4 7643 B13R1.555 C#CCCCSc1ccccc1O 62a_100000739446_100011215417 [0,1,0,0,0,0|2,0,1]=4 7644 B13R1.555 C#CCCCSc1ccccc1O 62a_100011215417_100000739446 [0,1,0,0,0,0|2,0,1]=4 7645 B13R1.555 C#CCCNCc1ccccc1Br 2230a_100000689332_100000688953 [0,1,0,0,0,0|2,0,1]=4 7646 B13R1.555 C#CCCNCc1ccccc1Br 34a_100000689332_100000688953 [0,1,0,0,0,0|2,0,1]=4 7647 B13R1.555 C#CCCNCc1ccccc1Br 34a_100000755551_100000184730 [0,1,0,0,0,0|2,0,1]=4 7648 B13R1.555 C#CCCNCc1ccccc1C 34a_100000174972_100000688953 [0,1,0,0,0,0|2,0,1]=4 7649 B13R1.555 C#CCCNCc1ccccc1C 34a_100000755551_100000211839 [0,1,0,0,0,0|2,0,1]=4 7650 B13R1.555 C#CCCNCc1ccccc1Cl 2230a_100000174879_100000688953 [0,1,0,0,0,0|2,0,1]=4 7651 B13R1.555 C#CCCNCc1ccccc1Cl 34a_100000174879_100000688953 [0,1,0,0,0,0|2,0,1]=4 7652 B13R1.555 C#CCCNCc1ccccc1Cl 34a_100000755551_100000187162 [0,1,0,0,0,0|2,0,1]=4 7653 B13R1.555 C#CCCNCc1ccccc1F 34a_100000174869_100000688953 [0,1,0,0,0,0|2,0,1]=4 7654 B13R1.555 C#CCCNCc1ccccc1F 34a_100000755551_100000211605 [0,1,0,0,0,0|2,0,1]=4 7655 B13R1.555 C#CCCNCc1ccccc1I 34a_100000755551_100011215278 [0,1,0,0,0,0|2,0,1]=4 7656 B13R1.555 C#CCCNCc1ccccc1O 34a_100000185550_100000688953 [0,1,0,0,0,0|2,0,1]=4 7657 B13R1.555 C#CCCOCc1ccccc1Br 34a_100000756307_100000688953 [0,1,0,0,0,0|2,0,1]=4 7658 B13R1.555 C#CCCOCc1ccccc1Br 34a_100011215631_100000184730 [0,1,0,0,0,0|2,0,1]=4 7659 B13R1.555 C#CCCOCc1ccccc1Br 7a_100000756307_100000688953 [0,1,0,0,0,0|2,0,1]=4 7660 B13R1.555 C#CCCOCc1ccccc1C 34a_100000698903_100000688953 [0,1,0,0,0,0|2,0,1]=4 7661 B13R1.555 C#CCCOCc1ccccc1C 34a_100011215631_100000211839 [0,1,0,0,0,0|2,0,1]=4 7662 B13R1.555 C#CCCOCc1ccccc1C 7a_100000698903_100000688953 [0,1,0,0,0,0|2,0,1]=4 7663 B13R1.555 C#CCCOCc1ccccc1Cl 34a_100000210847_100000688953 [0,1,0,0,0,0|2,0,1]=4 7664 B13R1.555 C#CCCOCc1ccccc1Cl 34a_100011215631_100000187162 [0,1,0,0,0,0|2,0,1]=4 7665 B13R1.555 C#CCCOCc1ccccc1Cl 7a_100000210847_100000688953 [0,1,0,0,0,0|2,0,1]=4 7666 B13R1.555 C#CCCOCc1ccccc1F 34a_100000211962_100000688953 [0,1,0,0,0,0|2,0,1]=4 7667 B13R1.555 C#CCCOCc1ccccc1F 34a_100011215631_100000211605 [0,1,0,0,0,0|2,0,1]=4 7668 B13R1.555 C#CCCOCc1ccccc1F 7a_100000211962_100000688953 [0,1,0,0,0,0|2,0,1]=4 7669 B13R1.555 C#CCCOCc1ccccc1I 34a_100000187465_100000688953 [0,1,0,0,0,0|2,0,1]=4 7670 B13R1.555 C#CCCOCc1ccccc1I 34a_100011215631_100011215278 [0,1,0,0,0,0|2,0,1]=4 7671 B13R1.555 C#CCCOCc1ccccc1I 7a_100000187465_100000688953 [0,1,0,0,0,0|2,0,1]=4 7672 B13R1.555 C#CCCOCc1ccccc1N 34a_100000212039_100000688953 [0,1,0,0,0,0|2,0,1]=4 7673 B13R1.555 C#CCCSCc1ccccc1Br 62a_100000184730_100000688953 [0,1,0,0,0,0|2,0,1]=4 7674 B13R1.555 C#CCCSCc1ccccc1Br 62a_100000688953_100000184730 [0,1,0,0,0,0|2,0,1]=4 7675 B13R1.555 C#CCCSCc1ccccc1C 62a_100000211839_100000688953 [0,1,0,0,0,0|2,0,1]=4 7676 B13R1.555 C#CCCSCc1ccccc1C 62a_100000688953_100000211839 [0,1,0,0,0,0|2,0,1]=4 7677 B13R1.555 C#CCCSCc1ccccc1Cl 62a_100000187162_100000688953 [0,1,0,0,0,0|2,0,1]=4 7678 B13R1.555 C#CCCSCc1ccccc1Cl 62a_100000688953_100000187162 [0,1,0,0,0,0|2,0,1]=4 7679 B13R1.555 C#CCCSCc1ccccc1F 62a_100000211605_100000688953 [0,1,0,0,0,0|2,0,1]=4 7680 B13R1.555 C#CCCSCc1ccccc1F 62a_100000688953_100000211605 [0,1,0,0,0,0|2,0,1]=4 7681 B13R1.555 C#CCCSCc1ccccc1I 62a_100000688953_100011216222 [0,1,0,0,0,0|2,0,1]=4 7682 B13R1.555 C#CCCSCc1ccccc1I 62a_100011216222_100000688953 [0,1,0,0,0,0|2,0,1]=4 7683 B13R1.555 C#CCNCCc1ccccc1Br 2230a_100000747383_100000038162 [0,1,0,0,0,0|2,0,1]=4 7684 B13R1.555 C#CCNCCc1ccccc1Br 34a_100000212058_100012161201 [0,1,0,0,0,0|2,0,1]=4 7685 B13R1.555 C#CCNCCc1ccccc1Br 34a_100000747383_100000184674 [0,1,0,0,0,0|2,0,1]=4 7686 B13R1.555 C#CCNCCc1ccccc1C 2230a_100000685071_100000038162 [0,1,0,0,0,0|2,0,1]=4 7687 B13R1.555 C#CCNCCc1ccccc1C 34a_100000212058_100011713688 [0,1,0,0,0,0|2,0,1]=4 7688 B13R1.555 C#CCNCCc1ccccc1C 34a_100000685071_100000184674 [0,1,0,0,0,0|2,0,1]=4 7689 B13R1.555 C#CCNCCc1ccccc1Cl 2230a_100011207228_100000038162 [0,1,0,0,0,0|2,0,1]=4 7690 B13R1.555 C#CCNCCc1ccccc1Cl 34a_100000212058_100011713703 [0,1,0,0,0,0|2,0,1]=4 7691 B13R1.555 C#CCNCCc1ccccc1Cl 34a_100011207228_100000184674 [0,1,0,0,0,0|2,0,1]=4 7692 B13R1.555 C#CCNCCc1ccccc1F 2230a_100000185272_100000038162 [0,1,0,0,0,0|2,0,1]=4 7693 B13R1.555 C#CCNCCc1ccccc1F 34a_100000185272_100000184674 [0,1,0,0,0,0|2,0,1]=4 7694 B13R1.555 C#CCNCCc1ccccc1F 34a_100000212058_100000720011 [0,1,0,0,0,0|2,0,1]=4 7695 B13R1.555 C#CCNCCc1ccccc1O 34a_100000212058_100000722297 [0,1,0,0,0,0|2,0,1]=4 7696 B13R1.555 C#CCNCCc1ccccc1O 34a_100011207237_100000184674 [0,1,0,0,0,0|2,0,1]=4 7697 B13R1.555 C#CCOCCc1ccccc1Br 34a_100000210247_100012161201 [0,1,0,0,0,0|2,0,1]=4 7698 B13R1.555 C#CCOCCc1ccccc1Br 34a_100000731337_100000184674 [0,1,0,0,0,0|2,0,1]=4 7699 B13R1.555 C#CCOCCc1ccccc1Br 7a_100000731337_100000038162 [0,1,0,0,0,0|2,0,1]=4 7700 B13R1.555 C#CCOCCc1ccccc1C 34a_100000210247_100011713688 [0,1,0,0,0,0|2,0,1]=4 7701 B13R1.555 C#CCOCCc1ccccc1C 34a_100011220023_100000184674 [0,1,0,0,0,0|2,0,1]=4 7702 B13R1.555 C#CCOCCc1ccccc1C 7a_100011220023_100000038162 [0,1,0,0,0,0|2,0,1]=4 7703 B13R1.555 C#CCOCCc1ccccc1Cl 34a_100000210247_100011713703 [0,1,0,0,0,0|2,0,1]=4 7704 B13R1.555 C#CCOCCc1ccccc1Cl 34a_100011215284_100000184674 [0,1,0,0,0,0|2,0,1]=4 7705 B13R1.555 C#CCOCCc1ccccc1Cl 7a_100011215284_100000038162 [0,1,0,0,0,0|2,0,1]=4 7706 B13R1.555 C#CCOCCc1ccccc1F 34a_100000210247_100000720011 [0,1,0,0,0,0|2,0,1]=4 7707 B13R1.555 C#CCOCCc1ccccc1F 34a_100000753711_100000184674 [0,1,0,0,0,0|2,0,1]=4 7708 B13R1.555 C#CCOCCc1ccccc1F 7a_100000753711_100000038162 [0,1,0,0,0,0|2,0,1]=4 7709 B13R1.555 C#CCOCCc1ccccc1I 34a_100010255290_100000184674 [0,1,0,0,0,0|2,0,1]=4 7710 B13R1.555 C#CCOCCc1ccccc1I 7a_100010255290_100000038162 [0,1,0,0,0,0|2,0,1]=4 7711 B13R1.555 C#CCOCCc1ccccc1N 34a_100011215289_100000184674 [0,1,0,0,0,0|2,0,1]=4 7712 B13R1.555 C#CCOCCc1ccccc1O 34a_100000210247_100000722297 [0,1,0,0,0,0|2,0,1]=4 7713 B13R1.555 C#CCSCCc1ccccc1Br 62a_100000038162_100012161201 [0,1,0,0,0,0|2,0,1]=4 7714 B13R1.555 C#CCSCCc1ccccc1C 62a_100000038162_100011713688 [0,1,0,0,0,0|2,0,1]=4 7715 B13R1.555 C#CCSCCc1ccccc1Cl 62a_100000038162_100011713703 [0,1,0,0,0,0|2,0,1]=4 7716 B13R1.555 C#CCSCCc1ccccc1F 62a_100000038162_100011713696 [0,1,0,0,0,0|2,0,1]=4 7717 B13R1.555 C#CCSCCc1ccccc1O 62a_100000038162_100000722297 [0,1,0,0,0,0|2,0,1]=4 7718 B13R1.555 C=CCCCNc1ccccc1Br 34a_100000210017_100000757094 [0,1,0,0,0,0|2,0,1]=4 7719 B13R1.555 C=CCCCNc1ccccc1C 34a_100015192222_100000757094 [0,1,0,0,0,0|2,0,1]=4 7720 B13R1.555 C=CCCCNc1ccccc1Cl 34a_100000185783_100000757094 [0,1,0,0,0,0|2,0,1]=4 7721 B13R1.555 C=CCCCNc1ccccc1F 34a_100000210422_100000757094 [0,1,0,0,0,0|2,0,1]=4 7722 B13R1.555 C=CCCCNc1ccccc1I 34a_100000210053_100000757094 [0,1,0,0,0,0|2,0,1]=4 7723 B13R1.555 C=CCCCNc1ccccc1O 34a_100000185747_100000757094 [0,1,0,0,0,0|2,0,1]=4 7724 B13R1.555 C=CCCCOc1ccccc1Br 34a_100000181306_100000757094 [0,1,0,0,0,0|2,0,1]=4 7725 B13R1.555 C=CCCCOc1ccccc1Br 7a_100000181306_100000757094 [0,1,0,0,0,0|2,0,1]=4 7726 B13R1.555 C=CCCCOc1ccccc1C 34a_100000210338_100000757094 [0,1,0,0,0,0|2,0,1]=4 7727 B13R1.555 C=CCCCOc1ccccc1C 7a_100000210338_100000757094 [0,1,0,0,0,0|2,0,1]=4 7728 B13R1.555 C=CCCCOc1ccccc1Cl 34a_100000210172_100000757094 [0,1,0,0,0,0|2,0,1]=4 7729 B13R1.555 C=CCCCOc1ccccc1Cl 7a_100000210172_100000757094 [0,1,0,0,0,0|2,0,1]=4 7730 B13R1.555 C=CCCCOc1ccccc1F 34a_100000210171_100000757094 [0,1,0,0,0,0|2,0,1]=4 7731 B13R1.555 C=CCCCOc1ccccc1F 7a_100000210171_100000757094 [0,1,0,0,0,0|2,0,1]=4 7732 B13R1.555 C=CCCCOc1ccccc1I 34a_100000739446_100000757094 [0,1,0,0,0,0|2,0,1]=4 7733 B13R1.555 C=CCCCOc1ccccc1I 7a_100000739446_100000757094 [0,1,0,0,0,0|2,0,1]=4 7734 B13R1.555 C=CCCCOc1ccccc1N 34a_100000185747_100000757094 [0,1,0,0,0,0|2,0,1]=4 7735 B13R1.555 C=CCCCOc1ccccc1N 7a_100000185747_100000757094 [0,1,0,0,0,0|2,0,1]=4 7736 B13R1.555 C=CCCCSc1ccccc1Br 62a_100000695589_100000757094 [0,1,0,0,0,0|2,0,1]=4 7737 B13R1.555 C=CCCCSc1ccccc1Br 62a_100011713584_100000695589 [0,1,0,0,0,0|2,0,1]=4 7738 B13R1.555 C=CCCCSc1ccccc1C 62a_100000210755_100000757094 [0,1,0,0,0,0|2,0,1]=4 7739 B13R1.555 C=CCCCSc1ccccc1C 62a_100011713584_100000210755 [0,1,0,0,0,0|2,0,1]=4 7740 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100000764095_100000757094 [0,1,0,0,0,0|2,0,1]=4 7741 B13R1.555 C=CCCCSc1ccccc1Cl 62a_100011713584_100000764095 [0,1,0,0,0,0|2,0,1]=4 7742 B13R1.555 C=CCCCSc1ccccc1F 62a_100011215700_100000757094 [0,1,0,0,0,0|2,0,1]=4 7743 B13R1.555 C=CCCCSc1ccccc1F 62a_100011713584_100011215700 [0,1,0,0,0,0|2,0,1]=4 7744 B13R1.555 C=CCCCSc1ccccc1N 62a_100000210017_100000757094 [0,1,0,0,0,0|2,0,1]=4 7745 B13R1.555 C=CCCCSc1ccccc1N 62a_100011713584_100000210017 [0,1,0,0,0,0|2,0,1]=4 7746 B13R1.555 C=CCCCSc1ccccc1O 62a_100000739446_100000757094 [0,1,0,0,0,0|2,0,1]=4 7747 B13R1.555 C=CCCCSc1ccccc1O 62a_100011713584_100000739446 [0,1,0,0,0,0|2,0,1]=4 7748 B13R1.555 C=CCCNCc1ccccc1Br 207a_100015191253_100000211189 [0,1,0,0,0,0|2,0,1]=4 7749 B13R1.555 C=CCCNCc1ccccc1Br 2230a_100000689332_100000754431 [0,1,0,0,0,0|2,0,1]=4 7750 B13R1.555 C=CCCNCc1ccccc1Br 2230a_100015191253_100000184730 [0,1,0,0,0,0|2,0,1]=4 7751 B13R1.555 C=CCCNCc1ccccc1Br 270004a_100015191253_100000211189 [0,1,0,0,0,0|2,0,1]=4 7752 B13R1.555 C=CCCNCc1ccccc1Br 34a_100000689332_100000754431 [0,1,0,0,0,0|2,0,1]=4 7753 B13R1.555 C=CCCNCc1ccccc1C 207a_100015191253_100000211143 [0,1,0,0,0,0|2,0,1]=4 7754 B13R1.555 C=CCCNCc1ccccc1C 2230a_100015191253_100000211839 [0,1,0,0,0,0|2,0,1]=4 7755 B13R1.555 C=CCCNCc1ccccc1C 270004a_100015191253_100000211143 [0,1,0,0,0,0|2,0,1]=4 7756 B13R1.555 C=CCCNCc1ccccc1C 34a_100000174972_100000754431 [0,1,0,0,0,0|2,0,1]=4 7757 B13R1.555 C=CCCNCc1ccccc1Cl 207a_100015191253_100000210073 [0,1,0,0,0,0|2,0,1]=4 7758 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100000174879_100000754431 [0,1,0,0,0,0|2,0,1]=4 7759 B13R1.555 C=CCCNCc1ccccc1Cl 2230a_100015191253_100000187162 [0,1,0,0,0,0|2,0,1]=4 7760 B13R1.555 C=CCCNCc1ccccc1Cl 270004a_100015191253_100000210073 [0,1,0,0,0,0|2,0,1]=4 7761 B13R1.555 C=CCCNCc1ccccc1Cl 34a_100000174879_100000754431 [0,1,0,0,0,0|2,0,1]=4 7762 B13R1.555 C=CCCNCc1ccccc1F 207a_100015191253_100000210811 [0,1,0,0,0,0|2,0,1]=4 7763 B13R1.555 C=CCCNCc1ccccc1F 2230a_100015191253_100000211605 [0,1,0,0,0,0|2,0,1]=4 7764 B13R1.555 C=CCCNCc1ccccc1F 270004a_100015191253_100000210811 [0,1,0,0,0,0|2,0,1]=4 7765 B13R1.555 C=CCCNCc1ccccc1F 34a_100000174869_100000754431 [0,1,0,0,0,0|2,0,1]=4 7766 B13R1.555 C=CCCNCc1ccccc1I 207a_100015191253_100000010305 [0,1,0,0,0,0|2,0,1]=4 7767 B13R1.555 C=CCCNCc1ccccc1I 2230a_100015191253_100011215278 [0,1,0,0,0,0|2,0,1]=4 7768 B13R1.555 C=CCCNCc1ccccc1I 270004a_100015191253_100000010305 [0,1,0,0,0,0|2,0,1]=4 7769 B13R1.555 C=CCCNCc1ccccc1O 34a_100000185550_100000754431 [0,1,0,0,0,0|2,0,1]=4 7770 B13R1.555 C=CCCOCc1ccccc1Br 34a_100000756307_100000754431 [0,1,0,0,0,0|2,0,1]=4 7771 B13R1.555 C=CCCOCc1ccccc1Br 34a_100011205117_100000184730 [0,1,0,0,0,0|2,0,1]=4 7772 B13R1.555 C=CCCOCc1ccccc1Br 7a_100000756307_100000754431 [0,1,0,0,0,0|2,0,1]=4 7773 B13R1.555 C=CCCOCc1ccccc1C 34a_100000698903_100000754431 [0,1,0,0,0,0|2,0,1]=4 7774 B13R1.555 C=CCCOCc1ccccc1C 34a_100011205117_100000211839 [0,1,0,0,0,0|2,0,1]=4 7775 B13R1.555 C=CCCOCc1ccccc1C 7a_100000698903_100000754431 [0,1,0,0,0,0|2,0,1]=4 7776 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100000210847_100000754431 [0,1,0,0,0,0|2,0,1]=4 7777 B13R1.555 C=CCCOCc1ccccc1Cl 34a_100011205117_100000187162 [0,1,0,0,0,0|2,0,1]=4 7778 B13R1.555 C=CCCOCc1ccccc1Cl 7a_100000210847_100000754431 [0,1,0,0,0,0|2,0,1]=4 7779 B13R1.555 C=CCCOCc1ccccc1F 34a_100000211962_100000754431 [0,1,0,0,0,0|2,0,1]=4 7780 B13R1.555 C=CCCOCc1ccccc1F 34a_100011205117_100000211605 [0,1,0,0,0,0|2,0,1]=4 7781 B13R1.555 C=CCCOCc1ccccc1F 7a_100000211962_100000754431 [0,1,0,0,0,0|2,0,1]=4 7782 B13R1.555 C=CCCOCc1ccccc1I 34a_100000187465_100000754431 [0,1,0,0,0,0|2,0,1]=4 7783 B13R1.555 C=CCCOCc1ccccc1I 34a_100011205117_100011215278 [0,1,0,0,0,0|2,0,1]=4 7784 B13R1.555 C=CCCOCc1ccccc1I 7a_100000187465_100000754431 [0,1,0,0,0,0|2,0,1]=4 7785 B13R1.555 C=CCCOCc1ccccc1N 34a_100000212039_100000754431 [0,1,0,0,0,0|2,0,1]=4 7786 B13R1.555 C=CCCSCc1ccccc1Br 62a_100000184730_100000754431 [0,1,0,0,0,0|2,0,1]=4 7787 B13R1.555 C=CCCSCc1ccccc1Br 62a_100000754431_100000184730 [0,1,0,0,0,0|2,0,1]=4 7788 B13R1.555 C=CCCSCc1ccccc1C 62a_100000211839_100000754431 [0,1,0,0,0,0|2,0,1]=4 7789 B13R1.555 C=CCCSCc1ccccc1C 62a_100000754431_100000211839 [0,1,0,0,0,0|2,0,1]=4 7790 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000187162_100000754431 [0,1,0,0,0,0|2,0,1]=4 7791 B13R1.555 C=CCCSCc1ccccc1Cl 62a_100000754431_100000187162 [0,1,0,0,0,0|2,0,1]=4 7792 B13R1.555 C=CCCSCc1ccccc1F 62a_100000211605_100000754431 [0,1,0,0,0,0|2,0,1]=4 7793 B13R1.555 C=CCCSCc1ccccc1F 62a_100000754431_100000211605 [0,1,0,0,0,0|2,0,1]=4 7794 B13R1.555 C=CCCSCc1ccccc1I 62a_100000754431_100011216222 [0,1,0,0,0,0|2,0,1]=4 7795 B13R1.555 C=CCCSCc1ccccc1I 62a_100011216222_100000754431 [0,1,0,0,0,0|2,0,1]=4 7796 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100000747383_100000210623 [0,1,0,0,0,0|2,0,1]=4 7797 B13R1.555 C=CCNCCc1ccccc1Br 2230a_100020586998_100012161201 [0,1,0,0,0,0|2,0,1]=4 7798 B13R1.555 C=CCNCCc1ccccc1Br 34a_100000747383_100015514636 [0,1,0,0,0,0|2,0,1]=4 7799 B13R1.555 C=CCNCCc1ccccc1C 2230a_100000685071_100000210623 [0,1,0,0,0,0|2,0,1]=4 7800 B13R1.555 C=CCNCCc1ccccc1C 2230a_100020586998_100011713688 [0,1,0,0,0,0|2,0,1]=4 7801 B13R1.555 C=CCNCCc1ccccc1C 34a_100000685071_100015514636 [0,1,0,0,0,0|2,0,1]=4 7802 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100011207228_100000210623 [0,1,0,0,0,0|2,0,1]=4 7803 B13R1.555 C=CCNCCc1ccccc1Cl 2230a_100020586998_100011713703 [0,1,0,0,0,0|2,0,1]=4 7804 B13R1.555 C=CCNCCc1ccccc1Cl 270004a_100020586998_200011713468 [0,1,0,0,0,0|2,0,1]=4 7805 B13R1.555 C=CCNCCc1ccccc1Cl 34a_100011207228_100015514636 [0,1,0,0,0,0|2,0,1]=4 7806 B13R1.555 C=CCNCCc1ccccc1F 2230a_100000185272_100000210623 [0,1,0,0,0,0|2,0,1]=4 7807 B13R1.555 C=CCNCCc1ccccc1F 2230a_100020586998_100011713696 [0,1,0,0,0,0|2,0,1]=4 7808 B13R1.555 C=CCNCCc1ccccc1F 34a_100000185272_100015514636 [0,1,0,0,0,0|2,0,1]=4 7809 B13R1.555 C=CCNCCc1ccccc1O 34a_100011207237_100015514636 [0,1,0,0,0,0|2,0,1]=4 7810 B13R1.555 C=CCOCCc1ccccc1Br 34a_100000731337_100015514636 [0,1,0,0,0,0|2,0,1]=4 7811 B13R1.555 C=CCOCCc1ccccc1Br 34a_200000210373_100012161201 [0,1,0,0,0,0|2,0,1]=4 7812 B13R1.555 C=CCOCCc1ccccc1Br 7a_100000731337_100015514636 [0,1,0,0,0,0|2,0,1]=4 7813 B13R1.555 C=CCOCCc1ccccc1C 34a_100011220023_100015514636 [0,1,0,0,0,0|2,0,1]=4 7814 B13R1.555 C=CCOCCc1ccccc1C 34a_200000210373_100011713688 [0,1,0,0,0,0|2,0,1]=4 7815 B13R1.555 C=CCOCCc1ccccc1C 7a_100011220023_100015514636 [0,1,0,0,0,0|2,0,1]=4 7816 B13R1.555 C=CCOCCc1ccccc1Cl 34a_100011215284_100015514636 [0,1,0,0,0,0|2,0,1]=4 7817 B13R1.555 C=CCOCCc1ccccc1Cl 34a_200000210373_100011713703 [0,1,0,0,0,0|2,0,1]=4 7818 B13R1.555 C=CCOCCc1ccccc1Cl 7a_100011215284_100015514636 [0,1,0,0,0,0|2,0,1]=4 7819 B13R1.555 C=CCOCCc1ccccc1F 34a_100000753711_100015514636 [0,1,0,0,0,0|2,0,1]=4 7820 B13R1.555 C=CCOCCc1ccccc1F 34a_200000210373_100000720011 [0,1,0,0,0,0|2,0,1]=4 7821 B13R1.555 C=CCOCCc1ccccc1F 7a_100000753711_100015514636 [0,1,0,0,0,0|2,0,1]=4 7822 B13R1.555 C=CCOCCc1ccccc1I 34a_100010255290_100015514636 [0,1,0,0,0,0|2,0,1]=4 7823 B13R1.555 C=CCOCCc1ccccc1I 7a_100010255290_100015514636 [0,1,0,0,0,0|2,0,1]=4 7824 B13R1.555 C=CCOCCc1ccccc1N 34a_100011215289_100015514636 [0,1,0,0,0,0|2,0,1]=4 7825 B13R1.555 C=CCOCCc1ccccc1O 34a_200000210373_100000722297 [0,1,0,0,0,0|2,0,1]=4 7826 B13R1.555 C=CCSCCc1ccccc1Br 62a_100000210623_100012161201 [0,1,0,0,0,0|2,0,1]=4 7827 B13R1.555 C=CCSCCc1ccccc1Br 62a_100012161201_100000210623 [0,1,0,0,0,0|2,0,1]=4 7828 B13R1.555 C=CCSCCc1ccccc1C 62a_100000210623_100011713688 [0,1,0,0,0,0|2,0,1]=4 7829 B13R1.555 C=CCSCCc1ccccc1C 62a_100011713688_100000210623 [0,1,0,0,0,0|2,0,1]=4 7830 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100000210623_100011713703 [0,1,0,0,0,0|2,0,1]=4 7831 B13R1.555 C=CCSCCc1ccccc1Cl 62a_100011713703_100000210623 [0,1,0,0,0,0|2,0,1]=4 7832 B13R1.555 C=CCSCCc1ccccc1F 62a_100000210623_100011713696 [0,1,0,0,0,0|2,0,1]=4 7833 B13R1.555 C=CCSCCc1ccccc1F 62a_100011713696_100000210623 [0,1,0,0,0,0|2,0,1]=4 7834 B13R1.555 C=CCSCCc1ccccc1O 62a_100000210623_100000722297 [0,1,0,0,0,0|2,0,1]=4 7835 B13R1.555 C=CCSCCc1ccccc1O 62a_100000722297_100000210623 [0,1,0,0,0,0|2,0,1]=4 7836 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [0,1,0,0,0,0|1,0,2]=4 7837 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [0,1,0,0,0,0|1,0,2]=4 7838 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [0,1,0,0,0,0|1,0,2]=4 7839 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [0,1,0,0,0,0|1,0,2]=4 7840 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [0,1,0,0,0,0|1,0,2]=4 7841 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [0,1,0,0,0,0|1,0,2]=4 7842 B13R1.555 CCCCCCc1ncncc1O 271570a_203496583355_200009816993 [0,1,0,0,0,0|3,0,0]=4 7843 B13R1.555 CCCCCNc1ccccc1Br 34a_100000210017_100000718602 [0,1,0,0,0,0|2,0,0]=3 7844 B13R1.555 CCCCCNc1ccccc1C 34a_100015192222_100000718602 [0,1,0,0,0,0|2,0,0]=3 7845 B13R1.555 CCCCCNc1ccccc1Cl 34a_100000185783_100000718602 [0,1,0,0,0,0|2,0,0]=3 7846 B13R1.555 CCCCCNc1ccccc1F 34a_100000210422_100000718602 [0,1,0,0,0,0|2,0,0]=3 7847 B13R1.555 CCCCCNc1ccccc1I 34a_100000210053_100000718602 [0,1,0,0,0,0|2,0,0]=3 7848 B13R1.555 CCCCCNc1ccccc1O 34a_100000185747_100000718602 [0,1,0,0,0,0|2,0,0]=3 7849 B13R1.555 CCCCCNc1ccncc1Br 27a_100000209983_100000726257 [0,1,0,0,0,0|3,0,0]=4 7850 B13R1.555 CCCCCNc1ccncc1C 27a_100000209983_100000765111 [0,1,0,0,0,0|3,0,0]=4 7851 B13R1.555 CCCCCNc1ccncc1F 27a_100000209983_100000035921 [0,1,0,0,0,0|3,0,0]=4 7852 B13R1.555 CCCCCNc1ncccc1Br 27a_100000209983_100000696092 [0,1,0,0,0,0|3,0,0]=4 7853 B13R1.555 CCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210326 [0,1,0,0,0,0|3,0,0]=4 7854 B13R1.555 CCCCCOc1ccccc1Br 34a_100000181306_100000718602 [0,1,0,0,0,0|2,0,0]=3 7855 B13R1.555 CCCCCOc1ccccc1Br 7a_100000181306_100000210326 [0,1,0,0,0,0|2,0,0]=3 7856 B13R1.555 CCCCCOc1ccccc1C 34a_100000210338_100000718602 [0,1,0,0,0,0|2,0,0]=3 7857 B13R1.555 CCCCCOc1ccccc1C 7a_100000210338_100000210326 [0,1,0,0,0,0|2,0,0]=3 7858 B13R1.555 CCCCCOc1ccccc1Cl 34a_100000210172_100000718602 [0,1,0,0,0,0|2,0,0]=3 7859 B13R1.555 CCCCCOc1ccccc1Cl 7a_100000210172_100000210326 [0,1,0,0,0,0|2,0,0]=3 7860 B13R1.555 CCCCCOc1ccccc1F 34a_100000210171_100000718602 [0,1,0,0,0,0|2,0,0]=3 7861 B13R1.555 CCCCCOc1ccccc1F 7a_100000210171_100000210326 [0,1,0,0,0,0|2,0,0]=3 7862 B13R1.555 CCCCCOc1ccccc1I 34a_100000739446_100000718602 [0,1,0,0,0,0|2,0,0]=3 7863 B13R1.555 CCCCCOc1ccccc1I 7a_100000739446_100000210326 [0,1,0,0,0,0|2,0,0]=3 7864 B13R1.555 CCCCCOc1ccccc1N 34a_100000185747_100000718602 [0,1,0,0,0,0|2,0,0]=3 7865 B13R1.555 CCCCCOc1ccccc1N 7a_100000185747_100000210326 [0,1,0,0,0,0|2,0,0]=3 7866 B13R1.555 CCCCCOc1cccnc1Br 34a_100000744436_100000718602 [0,1,0,0,0,0|3,0,0]=4 7867 B13R1.555 CCCCCOc1cccnc1Br 7a_100000744436_100000210326 [0,1,0,0,0,0|3,0,0]=4 7868 B13R1.555 CCCCCOc1cccnc1C 34a_100000745507_100000718602 [0,1,0,0,0,0|3,0,0]=4 7869 B13R1.555 CCCCCOc1cccnc1C 7a_100000745507_100000210326 [0,1,0,0,0,0|3,0,0]=4 7870 B13R1.555 CCCCCOc1cccnc1Cl 34a_100000757616_100000718602 [0,1,0,0,0,0|3,0,0]=4 7871 B13R1.555 CCCCCOc1cccnc1Cl 7a_100000757616_100000210326 [0,1,0,0,0,0|3,0,0]=4 7872 B13R1.555 CCCCCOc1cccnc1F 34a_100000061740_100000718602 [0,1,0,0,0,0|3,0,0]=4 7873 B13R1.555 CCCCCOc1cccnc1F 7a_100000061740_100000210326 [0,1,0,0,0,0|3,0,0]=4 7874 B13R1.555 CCCCCOc1cccnc1I 34a_100000034122_100000718602 [0,1,0,0,0,0|3,0,0]=4 7875 B13R1.555 CCCCCOc1cccnc1I 7a_100000034122_100000210326 [0,1,0,0,0,0|3,0,0]=4 7876 B13R1.555 CCCCCOc1cccnc1N 34a_100000211975_100000718602 [0,1,0,0,0,0|3,0,0]=4 7877 B13R1.555 CCCCCOc1cccnc1N 7a_100000211975_100000210326 [0,1,0,0,0,0|3,0,0]=4 7878 B13R1.555 CCCCCOc1cccoc1=O 34a_100000077404_100000718602 [0,1,0,0,0,0|3,0,0]=4 7879 B13R1.555 CCCCCOc1cccoc1=O 7a_100000077404_100000210326 [0,1,0,0,0,0|3,0,0]=4 7880 B13R1.555 CCCCCOc1ccncc1Br 34a_100011996408_100000718602 [0,1,0,0,0,0|3,0,0]=4 7881 B13R1.555 CCCCCOc1ccncc1C 34a_100000694293_100000718602 [0,1,0,0,0,0|3,0,0]=4 7882 B13R1.555 CCCCCOc1ccncc1Cl 34a_100011997054_100000718602 [0,1,0,0,0,0|3,0,0]=4 7883 B13R1.555 CCCCCOc1ccncc1F 34a_200000081243_100000718602 [0,1,0,0,0,0|3,0,0]=4 7884 B13R1.555 CCCCCOc1cnccc1C 34a_100011997053_100000718602 [0,1,0,0,0,0|3,0,0]=4 7885 B13R1.555 CCCCCOc1cnccc1C 7a_100011997053_100000210326 [0,1,0,0,0,0|3,0,0]=4 7886 B13R1.555 CCCCCOc1cnccc1Cl 34a_100011996695_100000718602 [0,1,0,0,0,0|3,0,0]=4 7887 B13R1.555 CCCCCOc1cnccc1I 34a_100000050107_100000718602 [0,1,0,0,0,0|3,0,0]=4 7888 B13R1.555 CCCCCOc1cnccc1N 34a_100000753702_100000718602 [0,1,0,0,0,0|3,0,0]=4 7889 B13R1.555 CCCCCOc1coccc1=O 34a_100000060831_100000718602 [0,1,0,0,0,0|3,0,0]=4 7890 B13R1.555 CCCCCOc1ncccc1Cl 34a_100011290957_100000718602 [0,1,0,0,0,0|3,0,0]=4 7891 B13R1.555 CCCCCOc1ncccc1F 34a_100011219419_100000718602 [0,1,0,0,0,0|3,0,0]=4 7892 B13R1.555 CCCCCOc1ncccc1N 34a_100000746358_100000718602 [0,1,0,0,0,0|3,0,0]=4 7893 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100000210326_100009998708 [0,1,0,0,0,0|3,0,0]=4 7894 B13R1.555 CCCCCSc1c[nH]ccc1=O 62a_100009998708_100000210326 [0,1,0,0,0,0|3,0,0]=4 7895 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_100000210326_200012280681 [0,1,0,0,0,0|3,0,0]=4 7896 B13R1.555 CCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210326 [0,1,0,0,0,0|3,0,0]=4 7897 B13R1.555 CCCCCSc1cccc[n+]1C 62a_100000210326_100000212160 [0,1,0,0,0,0|3,0,0]=4 7898 B13R1.555 CCCCCSc1cccc[n+]1[O-] 62a_100000210326_200000042595 [0,1,0,0,0,0|3,0,0]=4 7899 B13R1.555 CCCCCSc1ccccc1Br 62a_100000210326_100000695589 [0,1,0,0,0,0|2,0,0]=3 7900 B13R1.555 CCCCCSc1ccccc1Br 62a_100000695589_100000210326 [0,1,0,0,0,0|2,0,0]=3 7901 B13R1.555 CCCCCSc1ccccc1C 62a_100000210326_100000210755 [0,1,0,0,0,0|2,0,0]=3 7902 B13R1.555 CCCCCSc1ccccc1C 62a_100000210755_100000210326 [0,1,0,0,0,0|2,0,0]=3 7903 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000210326_100000764095 [0,1,0,0,0,0|2,0,0]=3 7904 B13R1.555 CCCCCSc1ccccc1Cl 62a_100000764095_100000210326 [0,1,0,0,0,0|2,0,0]=3 7905 B13R1.555 CCCCCSc1ccccc1F 62a_100000210326_100011215700 [0,1,0,0,0,0|2,0,0]=3 7906 B13R1.555 CCCCCSc1ccccc1F 62a_100011215700_100000210326 [0,1,0,0,0,0|2,0,0]=3 7907 B13R1.555 CCCCCSc1ccccc1N 62a_100000210017_100000210326 [0,1,0,0,0,0|2,0,0]=3 7908 B13R1.555 CCCCCSc1ccccc1N 62a_100000210326_100000210017 [0,1,0,0,0,0|2,0,0]=3 7909 B13R1.555 CCCCCSc1ccccc1O 62a_100000210326_100000739446 [0,1,0,0,0,0|2,0,0]=3 7910 B13R1.555 CCCCCSc1ccccc1O 62a_100000739446_100000210326 [0,1,0,0,0,0|2,0,0]=3 7911 B13R1.555 CCCCCSc1cccnc1Br 62a_100000210326_100010202626 [0,1,0,0,0,0|3,0,0]=4 7912 B13R1.555 CCCCCSc1cccnc1Br 62a_100010202626_100000210326 [0,1,0,0,0,0|3,0,0]=4 7913 B13R1.555 CCCCCSc1cccnc1C 62a_100000210326_100000751574 [0,1,0,0,0,0|3,0,0]=4 7914 B13R1.555 CCCCCSc1cccnc1C 62a_100000751574_100000210326 [0,1,0,0,0,0|3,0,0]=4 7915 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000036424_100000210326 [0,1,0,0,0,0|3,0,0]=4 7916 B13R1.555 CCCCCSc1cccnc1Cl 62a_100000210326_100000036424 [0,1,0,0,0,0|3,0,0]=4 7917 B13R1.555 CCCCCSc1cccnc1F 62a_100000210326_100009816115 [0,1,0,0,0,0|3,0,0]=4 7918 B13R1.555 CCCCCSc1cccnc1F 62a_100009816115_100000210326 [0,1,0,0,0,0|3,0,0]=4 7919 B13R1.555 CCCCCSc1cccnc1N 62a_100000045569_100000210326 [0,1,0,0,0,0|3,0,0]=4 7920 B13R1.555 CCCCCSc1cccnc1N 62a_100000210326_100000045569 [0,1,0,0,0,0|3,0,0]=4 7921 B13R1.555 CCCCCSc1cccnc1O 62a_100000210326_100000760158 [0,1,0,0,0,0|3,0,0]=4 7922 B13R1.555 CCCCCSc1cccnc1O 62a_100000760158_100000210326 [0,1,0,0,0,0|3,0,0]=4 7923 B13R1.555 CCCCCSc1ccncc1Br 62a_100000210326_100000726257 [0,1,0,0,0,0|3,0,0]=4 7924 B13R1.555 CCCCCSc1ccncc1Br 62a_100000726257_100000210326 [0,1,0,0,0,0|3,0,0]=4 7925 B13R1.555 CCCCCSc1ccncc1C 62a_100000210326_100000765111 [0,1,0,0,0,0|3,0,0]=4 7926 B13R1.555 CCCCCSc1ccncc1C 62a_100000765111_100000210326 [0,1,0,0,0,0|3,0,0]=4 7927 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000210326_100000708259 [0,1,0,0,0,0|3,0,0]=4 7928 B13R1.555 CCCCCSc1ccncc1Cl 62a_100000708259_100000210326 [0,1,0,0,0,0|3,0,0]=4 7929 B13R1.555 CCCCCSc1ccncc1F 62a_100000047030_100000210326 [0,1,0,0,0,0|3,0,0]=4 7930 B13R1.555 CCCCCSc1ccncc1F 62a_100000210326_100000047030 [0,1,0,0,0,0|3,0,0]=4 7931 B13R1.555 CCCCCSc1ccncc1N 62a_100000210326_100000756074 [0,1,0,0,0,0|3,0,0]=4 7932 B13R1.555 CCCCCSc1ccncc1N 62a_100000756074_100000210326 [0,1,0,0,0,0|3,0,0]=4 7933 B13R1.555 CCCCCSc1ccncc1O 62a_100000210326_100009817591 [0,1,0,0,0,0|3,0,0]=4 7934 B13R1.555 CCCCCSc1ccncc1O 62a_100009817591_100000210326 [0,1,0,0,0,0|3,0,0]=4 7935 B13R1.555 CCCCCSc1cnccc1Br 62a_100000210326_100010138639 [0,1,0,0,0,0|3,0,0]=4 7936 B13R1.555 CCCCCSc1cnccc1Br 62a_100010138639_100000210326 [0,1,0,0,0,0|3,0,0]=4 7937 B13R1.555 CCCCCSc1cnccc1C 62a_100000210326_100000761580 [0,1,0,0,0,0|3,0,0]=4 7938 B13R1.555 CCCCCSc1cnccc1C 62a_100000761580_100000210326 [0,1,0,0,0,0|3,0,0]=4 7939 B13R1.555 CCCCCSc1cnccc1Cl 62a_100000210326_100009995489 [0,1,0,0,0,0|3,0,0]=4 7940 B13R1.555 CCCCCSc1cnccc1Cl 62a_100009995489_100000210326 [0,1,0,0,0,0|3,0,0]=4 7941 B13R1.555 CCCCCSc1cnccc1F 62a_100000210326_100009820683 [0,1,0,0,0,0|3,0,0]=4 7942 B13R1.555 CCCCCSc1cnccc1F 62a_100009820683_100000210326 [0,1,0,0,0,0|3,0,0]=4 7943 B13R1.555 CCCCCSc1cnccc1N 62a_100000047001_100000210326 [0,1,0,0,0,0|3,0,0]=4 7944 B13R1.555 CCCCCSc1cnccc1N 62a_100000210326_100000047001 [0,1,0,0,0,0|3,0,0]=4 7945 B13R1.555 CCCCCSc1ncccc1Br 62a_100000210326_100000696092 [0,1,0,0,0,0|3,0,0]=4 7946 B13R1.555 CCCCCSc1ncccc1Br 62a_100000696092_100000210326 [0,1,0,0,0,0|3,0,0]=4 7947 B13R1.555 CCCCCSc1ncccc1C 62a_100000210326_100000751373 [0,1,0,0,0,0|3,0,0]=4 7948 B13R1.555 CCCCCSc1ncccc1C 62a_100000751373_100000210326 [0,1,0,0,0,0|3,0,0]=4 7949 B13R1.555 CCCCCSc1ncccc1Cl 62a_100000210326_100011356963 [0,1,0,0,0,0|3,0,0]=4 7950 B13R1.555 CCCCCSc1ncccc1Cl 62a_100011356963_100000210326 [0,1,0,0,0,0|3,0,0]=4 7951 B13R1.555 CCCCCSc1ncccc1F 62a_100000210326_100000685392 [0,1,0,0,0,0|3,0,0]=4 7952 B13R1.555 CCCCCSc1ncccc1F 62a_100000685392_100000210326 [0,1,0,0,0,0|3,0,0]=4 7953 B13R1.555 CCCCCSc1ncccc1N 62a_100000210326_100000688686 [0,1,0,0,0,0|3,0,0]=4 7954 B13R1.555 CCCCCSc1ncccc1N 62a_100000688686_100000210326 [0,1,0,0,0,0|3,0,0]=4 7955 B13R1.555 CCCCCSc1ncccc1O 62a_100000034122_100000210326 [0,1,0,0,0,0|3,0,0]=4 7956 B13R1.555 CCCCCSc1ncccc1O 62a_100000210326_100000034122 [0,1,0,0,0,0|3,0,0]=4 7957 B13R1.555 CCCCNCc1ccccc1Br 207a_100000102301_100000211189 [0,1,0,0,0,0|2,0,0]=3 7958 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000102301_100000184730 [0,1,0,0,0,0|2,0,0]=3 7959 B13R1.555 CCCCNCc1ccccc1Br 2230a_100000689332_100000210211 [0,1,0,0,0,0|2,0,0]=3 7960 B13R1.555 CCCCNCc1ccccc1Br 270004a_100000102301_100000211189 [0,1,0,0,0,0|2,0,0]=3 7961 B13R1.555 CCCCNCc1ccccc1Br 34a_100000689332_100000210210 [0,1,0,0,0,0|2,0,0]=3 7962 B13R1.555 CCCCNCc1ccccc1Br 7a_106832991798_100000184730 [0,1,0,0,0,0|2,0,0]=3 7963 B13R1.555 CCCCNCc1ccccc1C 207a_100000102301_100000211143 [0,1,0,0,0,0|2,0,0]=3 7964 B13R1.555 CCCCNCc1ccccc1C 2230a_100000102301_100000211839 [0,1,0,0,0,0|2,0,0]=3 7965 B13R1.555 CCCCNCc1ccccc1C 270004a_100000102301_100000211143 [0,1,0,0,0,0|2,0,0]=3 7966 B13R1.555 CCCCNCc1ccccc1C 34a_100000174972_100000210210 [0,1,0,0,0,0|2,0,0]=3 7967 B13R1.555 CCCCNCc1ccccc1C 7a_106832991798_100000211839 [0,1,0,0,0,0|2,0,0]=3 7968 B13R1.555 CCCCNCc1ccccc1Cl 207a_100000102301_100000210073 [0,1,0,0,0,0|2,0,0]=3 7969 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000102301_100000187162 [0,1,0,0,0,0|2,0,0]=3 7970 B13R1.555 CCCCNCc1ccccc1Cl 2230a_100000174879_100000210211 [0,1,0,0,0,0|2,0,0]=3 7971 B13R1.555 CCCCNCc1ccccc1Cl 270004a_100000102301_100000210073 [0,1,0,0,0,0|2,0,0]=3 7972 B13R1.555 CCCCNCc1ccccc1Cl 34a_100000174879_100000210210 [0,1,0,0,0,0|2,0,0]=3 7973 B13R1.555 CCCCNCc1ccccc1Cl 7a_106832991798_100000187162 [0,1,0,0,0,0|2,0,0]=3 7974 B13R1.555 CCCCNCc1ccccc1F 207a_100000102301_100000210811 [0,1,0,0,0,0|2,0,0]=3 7975 B13R1.555 CCCCNCc1ccccc1F 2230a_100000102301_100000211605 [0,1,0,0,0,0|2,0,0]=3 7976 B13R1.555 CCCCNCc1ccccc1F 270004a_100000102301_100000210811 [0,1,0,0,0,0|2,0,0]=3 7977 B13R1.555 CCCCNCc1ccccc1F 34a_100000174869_100000210210 [0,1,0,0,0,0|2,0,0]=3 7978 B13R1.555 CCCCNCc1ccccc1F 7a_106832991798_100000211605 [0,1,0,0,0,0|2,0,0]=3 7979 B13R1.555 CCCCNCc1ccccc1I 207a_100000102301_100000010305 [0,1,0,0,0,0|2,0,0]=3 7980 B13R1.555 CCCCNCc1ccccc1I 2230a_100000102301_100011215278 [0,1,0,0,0,0|2,0,0]=3 7981 B13R1.555 CCCCNCc1ccccc1I 270004a_100000102301_100000010305 [0,1,0,0,0,0|2,0,0]=3 7982 B13R1.555 CCCCNCc1ccccc1I 7a_106832991798_100011215278 [0,1,0,0,0,0|2,0,0]=3 7983 B13R1.555 CCCCNCc1ccccc1O 34a_100000185550_100000210210 [0,1,0,0,0,0|2,0,0]=3 7984 B13R1.555 CCCCNCc1cccnc1Br 2230a_100000102301_100010140945 [0,1,0,0,0,0|3,0,0]=4 7985 B13R1.555 CCCCNCc1cccnc1Br 2230a_100009818023_100000210211 [0,1,0,0,0,0|3,0,0]=4 7986 B13R1.555 CCCCNCc1cccnc1Br 34a_100009818023_100000210210 [0,1,0,0,0,0|3,0,0]=4 7987 B13R1.555 CCCCNCc1cccnc1Br 7a_106832991798_100010140945 [0,1,0,0,0,0|3,0,0]=4 7988 B13R1.555 CCCCNCc1cccnc1C 207a_100000102301_100000751968 [0,1,0,0,0,0|3,0,0]=4 7989 B13R1.555 CCCCNCc1cccnc1C 2230a_100000102301_100000732876 [0,1,0,0,0,0|3,0,0]=4 7990 B13R1.555 CCCCNCc1cccnc1C 270004a_100000102301_100000751968 [0,1,0,0,0,0|3,0,0]=4 7991 B13R1.555 CCCCNCc1cccnc1C 7a_106832991798_100000732876 [0,1,0,0,0,0|3,0,0]=4 7992 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100000102301_100000045678 [0,1,0,0,0,0|3,0,0]=4 7993 B13R1.555 CCCCNCc1cccnc1Cl 2230a_100015189234_100000210211 [0,1,0,0,0,0|3,0,0]=4 7994 B13R1.555 CCCCNCc1cccnc1Cl 34a_100015189234_100000210210 [0,1,0,0,0,0|3,0,0]=4 7995 B13R1.555 CCCCNCc1cccnc1Cl 7a_106832991798_100000045678 [0,1,0,0,0,0|3,0,0]=4 7996 B13R1.555 CCCCNCc1cccnc1F 2230a_100000102301_100000099810 [0,1,0,0,0,0|3,0,0]=4 7997 B13R1.555 CCCCNCc1cccnc1F 34a_100000724633_100000210210 [0,1,0,0,0,0|3,0,0]=4 7998 B13R1.555 CCCCNCc1cccnc1F 7a_106832991798_100000099810 [0,1,0,0,0,0|3,0,0]=4 7999 B13R1.555 CCCCNCc1cccnc1O 207a_100000102301_100011998315 [0,1,0,0,0,0|3,0,0]=4 8000 B13R1.555 CCCCNCc1cccnc1O 270004a_100000102301_100011998315 [0,1,0,0,0,0|3,0,0]=4 8001 B13R1.555 CCCCNCc1ccncc1Br 270004a_100000102301_100000755692 [0,1,0,0,0,0|3,0,0]=4 8002 B13R1.555 CCCCNCc1ccncc1C 2230a_100000102301_100020672808 [0,1,0,0,0,0|3,0,0]=4 8003 B13R1.555 CCCCNCc1ccncc1C 7a_106832991798_100020672808 [0,1,0,0,0,0|3,0,0]=4 8004 B13R1.555 CCCCNCc1ccncc1Cl 207a_100000102301_100011934409 [0,1,0,0,0,0|3,0,0]=4 8005 B13R1.555 CCCCNCc1ccncc1Cl 2230a_100000102301_100000763264 [0,1,0,0,0,0|3,0,0]=4 8006 B13R1.555 CCCCNCc1ccncc1Cl 270004a_100000102301_100011934409 [0,1,0,0,0,0|3,0,0]=4 8007 B13R1.555 CCCCNCc1ccncc1Cl 7a_106832991798_100000763264 [0,1,0,0,0,0|3,0,0]=4 8008 B13R1.555 CCCCNCc1ccncc1F 34a_100011935246_100000210210 [0,1,0,0,0,0|3,0,0]=4 8009 B13R1.555 CCCCNCc1cnccc1Br 270004a_100000102301_100009816821 [0,1,0,0,0,0|3,0,0]=4 8010 B13R1.555 CCCCNCc1cnccc1C 207a_100000102301_100000685662 [0,1,0,0,0,0|3,0,0]=4 8011 B13R1.555 CCCCNCc1cnccc1C 2230a_100000102301_100000690890 [0,1,0,0,0,0|3,0,0]=4 8012 B13R1.555 CCCCNCc1cnccc1C 270004a_100000102301_100000685662 [0,1,0,0,0,0|3,0,0]=4 8013 B13R1.555 CCCCNCc1cnccc1C 7a_106832991798_100000690890 [0,1,0,0,0,0|3,0,0]=4 8014 B13R1.555 CCCCNCc1cnccc1Cl 270004a_100000102301_100000050567 [0,1,0,0,0,0|3,0,0]=4 8015 B13R1.555 CCCCNCc1ncccc1Br 207a_100000102301_100011934733 [0,1,0,0,0,0|3,0,0]=4 8016 B13R1.555 CCCCNCc1ncccc1Br 2230a_100000102301_100025702911 [0,1,0,0,0,0|3,0,0]=4 8017 B13R1.555 CCCCNCc1ncccc1Br 270004a_100000102301_100011934733 [0,1,0,0,0,0|3,0,0]=4 8018 B13R1.555 CCCCNCc1ncccc1Br 7a_106832991798_100025702911 [0,1,0,0,0,0|3,0,0]=4 8019 B13R1.555 CCCCNCc1ncccc1C 207a_100000102301_100000698913 [0,1,0,0,0,0|3,0,0]=4 8020 B13R1.555 CCCCNCc1ncccc1C 2230a_100000102301_100000696600 [0,1,0,0,0,0|3,0,0]=4 8021 B13R1.555 CCCCNCc1ncccc1C 270004a_100000102301_100000698913 [0,1,0,0,0,0|3,0,0]=4 8022 B13R1.555 CCCCNCc1ncccc1C 34a_100011223789_100000210210 [0,1,0,0,0,0|3,0,0]=4 8023 B13R1.555 CCCCNCc1ncccc1C 7a_106832991798_100000696600 [0,1,0,0,0,0|3,0,0]=4 8024 B13R1.555 CCCCNCc1ncccc1Cl 207a_100000102301_100012001307 [0,1,0,0,0,0|3,0,0]=4 8025 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100000102301_100000099807 [0,1,0,0,0,0|3,0,0]=4 8026 B13R1.555 CCCCNCc1ncccc1Cl 2230a_100015189233_100000210211 [0,1,0,0,0,0|3,0,0]=4 8027 B13R1.555 CCCCNCc1ncccc1Cl 270004a_100000102301_100012001307 [0,1,0,0,0,0|3,0,0]=4 8028 B13R1.555 CCCCNCc1ncccc1Cl 7a_106832991798_100000099807 [0,1,0,0,0,0|3,0,0]=4 8029 B13R1.555 CCCCNCc1ncccc1F 207a_100000102301_100011934734 [0,1,0,0,0,0|3,0,0]=4 8030 B13R1.555 CCCCNCc1ncccc1F 2230a_100000102301_100000104219 [0,1,0,0,0,0|3,0,0]=4 8031 B13R1.555 CCCCNCc1ncccc1F 270004a_100000102301_100011934734 [0,1,0,0,0,0|3,0,0]=4 8032 B13R1.555 CCCCNCc1ncccc1F 34a_100000690088_100000210210 [0,1,0,0,0,0|3,0,0]=4 8033 B13R1.555 CCCCNCc1ncccc1F 7a_106832991798_100000104219 [0,1,0,0,0,0|3,0,0]=4 8034 B13R1.555 CCCCNCc1ncccc1O 7a_106832991798_200020655725 [0,1,0,0,0,0|3,0,0]=4 8035 B13R1.555 CCCCOCc1ccccc1Br 34a_100000210227_100000184730 [0,1,0,0,0,0|2,0,0]=3 8036 B13R1.555 CCCCOCc1ccccc1Br 34a_100000756307_100000210210 [0,1,0,0,0,0|2,0,0]=3 8037 B13R1.555 CCCCOCc1ccccc1Br 7a_100000210227_100000184730 [0,1,0,0,0,0|2,0,0]=3 8038 B13R1.555 CCCCOCc1ccccc1Br 7a_100000756307_100000210211 [0,1,0,0,0,0|2,0,0]=3 8039 B13R1.555 CCCCOCc1ccccc1C 34a_100000210227_100000211839 [0,1,0,0,0,0|2,0,0]=3 8040 B13R1.555 CCCCOCc1ccccc1C 34a_100000698903_100000210210 [0,1,0,0,0,0|2,0,0]=3 8041 B13R1.555 CCCCOCc1ccccc1C 7a_100000210227_100000211839 [0,1,0,0,0,0|2,0,0]=3 8042 B13R1.555 CCCCOCc1ccccc1C 7a_100000698903_100000210211 [0,1,0,0,0,0|2,0,0]=3 8043 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210227_100000187162 [0,1,0,0,0,0|2,0,0]=3 8044 B13R1.555 CCCCOCc1ccccc1Cl 34a_100000210847_100000210210 [0,1,0,0,0,0|2,0,0]=3 8045 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210227_100000187162 [0,1,0,0,0,0|2,0,0]=3 8046 B13R1.555 CCCCOCc1ccccc1Cl 7a_100000210847_100000210211 [0,1,0,0,0,0|2,0,0]=3 8047 B13R1.555 CCCCOCc1ccccc1F 34a_100000210227_100000211605 [0,1,0,0,0,0|2,0,0]=3 8048 B13R1.555 CCCCOCc1ccccc1F 34a_100000211962_100000210210 [0,1,0,0,0,0|2,0,0]=3 8049 B13R1.555 CCCCOCc1ccccc1F 7a_100000210227_100000211605 [0,1,0,0,0,0|2,0,0]=3 8050 B13R1.555 CCCCOCc1ccccc1F 7a_100000211962_100000210211 [0,1,0,0,0,0|2,0,0]=3 8051 B13R1.555 CCCCOCc1ccccc1I 34a_100000187465_100000210210 [0,1,0,0,0,0|2,0,0]=3 8052 B13R1.555 CCCCOCc1ccccc1I 34a_100000210227_100011215278 [0,1,0,0,0,0|2,0,0]=3 8053 B13R1.555 CCCCOCc1ccccc1I 7a_100000187465_100000210211 [0,1,0,0,0,0|2,0,0]=3 8054 B13R1.555 CCCCOCc1ccccc1I 7a_100000210227_100011215278 [0,1,0,0,0,0|2,0,0]=3 8055 B13R1.555 CCCCOCc1ccccc1N 34a_100000212039_100000210210 [0,1,0,0,0,0|2,0,0]=3 8056 B13R1.555 CCCCOCc1cccnc1Br 34a_100000210227_100010140945 [0,1,0,0,0,0|3,0,0]=4 8057 B13R1.555 CCCCOCc1cccnc1Br 34a_100000719692_100000210210 [0,1,0,0,0,0|3,0,0]=4 8058 B13R1.555 CCCCOCc1cccnc1Br 7a_100000210227_100010140945 [0,1,0,0,0,0|3,0,0]=4 8059 B13R1.555 CCCCOCc1cccnc1Br 7a_100000719692_100000210211 [0,1,0,0,0,0|3,0,0]=4 8060 B13R1.555 CCCCOCc1cccnc1C 34a_100000210227_100000732876 [0,1,0,0,0,0|3,0,0]=4 8061 B13R1.555 CCCCOCc1cccnc1C 34a_100000729262_100000210210 [0,1,0,0,0,0|3,0,0]=4 8062 B13R1.555 CCCCOCc1cccnc1C 7a_100000210227_100000732876 [0,1,0,0,0,0|3,0,0]=4 8063 B13R1.555 CCCCOCc1cccnc1C 7a_100000729262_100000210211 [0,1,0,0,0,0|3,0,0]=4 8064 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000210227_100000045678 [0,1,0,0,0,0|3,0,0]=4 8065 B13R1.555 CCCCOCc1cccnc1Cl 34a_100000748726_100000210210 [0,1,0,0,0,0|3,0,0]=4 8066 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000210227_100000045678 [0,1,0,0,0,0|3,0,0]=4 8067 B13R1.555 CCCCOCc1cccnc1Cl 7a_100000748726_100000210211 [0,1,0,0,0,0|3,0,0]=4 8068 B13R1.555 CCCCOCc1cccnc1F 34a_100000079888_100000210210 [0,1,0,0,0,0|3,0,0]=4 8069 B13R1.555 CCCCOCc1cccnc1F 34a_100000210227_100000099810 [0,1,0,0,0,0|3,0,0]=4 8070 B13R1.555 CCCCOCc1cccnc1F 7a_100000079888_100000210211 [0,1,0,0,0,0|3,0,0]=4 8071 B13R1.555 CCCCOCc1cccnc1F 7a_100000210227_100000099810 [0,1,0,0,0,0|3,0,0]=4 8072 B13R1.555 CCCCOCc1ccncc1C 34a_100000210227_100020672809 [0,1,0,0,0,0|3,0,0]=4 8073 B13R1.555 CCCCOCc1ccncc1C 34a_100011997032_100000210210 [0,1,0,0,0,0|3,0,0]=4 8074 B13R1.555 CCCCOCc1ccncc1C 7a_100000210227_100020672808 [0,1,0,0,0,0|3,0,0]=4 8075 B13R1.555 CCCCOCc1ccncc1Cl 7a_100000210227_100000763264 [0,1,0,0,0,0|3,0,0]=4 8076 B13R1.555 CCCCOCc1ccncc1F 34a_100012172863_100000210210 [0,1,0,0,0,0|3,0,0]=4 8077 B13R1.555 CCCCOCc1cnccc1C 34a_100000210227_100000690890 [0,1,0,0,0,0|3,0,0]=4 8078 B13R1.555 CCCCOCc1cnccc1C 34a_100011996381_100000210210 [0,1,0,0,0,0|3,0,0]=4 8079 B13R1.555 CCCCOCc1cnccc1C 7a_100000210227_100000690890 [0,1,0,0,0,0|3,0,0]=4 8080 B13R1.555 CCCCOCc1cnccc1Cl 34a_100000117392_100000210210 [0,1,0,0,0,0|3,0,0]=4 8081 B13R1.555 CCCCOCc1ncccc1Br 34a_100000210227_100025702911 [0,1,0,0,0,0|3,0,0]=4 8082 B13R1.555 CCCCOCc1ncccc1Br 34a_100011996772_100000210210 [0,1,0,0,0,0|3,0,0]=4 8083 B13R1.555 CCCCOCc1ncccc1Br 7a_100000210227_100025702911 [0,1,0,0,0,0|3,0,0]=4 8084 B13R1.555 CCCCOCc1ncccc1C 34a_100000210227_100000696600 [0,1,0,0,0,0|3,0,0]=4 8085 B13R1.555 CCCCOCc1ncccc1C 34a_100000698912_100000210210 [0,1,0,0,0,0|3,0,0]=4 8086 B13R1.555 CCCCOCc1ncccc1C 7a_100000210227_100000696600 [0,1,0,0,0,0|3,0,0]=4 8087 B13R1.555 CCCCOCc1ncccc1Cl 34a_100012002383_100000210210 [0,1,0,0,0,0|3,0,0]=4 8088 B13R1.555 CCCCOCc1ncccc1Cl 7a_100000210227_100000099807 [0,1,0,0,0,0|3,0,0]=4 8089 B13R1.555 CCCCOCc1ncccc1F 34a_100000210227_100000104219 [0,1,0,0,0,0|3,0,0]=4 8090 B13R1.555 CCCCOCc1ncccc1F 34a_100011934865_100000210210 [0,1,0,0,0,0|3,0,0]=4 8091 B13R1.555 CCCCOCc1ncccc1F 7a_100000210227_100000104219 [0,1,0,0,0,0|3,0,0]=4 8092 B13R1.555 CCCCOCc1ncccc1N 34a_114873767017_100000210210 [0,1,0,0,0,0|3,0,0]=4 8093 B13R1.555 CCCCOCc1ncccc1O 34a_100000210227_200020655725 [0,1,0,0,0,0|3,0,0]=4 8094 B13R1.555 CCCCOCc1ncccc1O 7a_100000210227_200020655725 [0,1,0,0,0,0|3,0,0]=4 8095 B13R1.555 CCCCSCc1ccccc1Br 62a_100000184730_100000210210 [0,1,0,0,0,0|2,0,0]=3 8096 B13R1.555 CCCCSCc1ccccc1Br 62a_100000210211_100000184730 [0,1,0,0,0,0|2,0,0]=3 8097 B13R1.555 CCCCSCc1ccccc1C 62a_100000210211_100000211839 [0,1,0,0,0,0|2,0,0]=3 8098 B13R1.555 CCCCSCc1ccccc1C 62a_100000211839_100000210210 [0,1,0,0,0,0|2,0,0]=3 8099 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000187162_100000210210 [0,1,0,0,0,0|2,0,0]=3 8100 B13R1.555 CCCCSCc1ccccc1Cl 62a_100000210211_100000187162 [0,1,0,0,0,0|2,0,0]=3 8101 B13R1.555 CCCCSCc1ccccc1F 62a_100000210211_100000211605 [0,1,0,0,0,0|2,0,0]=3 8102 B13R1.555 CCCCSCc1ccccc1F 62a_100000211605_100000210210 [0,1,0,0,0,0|2,0,0]=3 8103 B13R1.555 CCCCSCc1ccccc1I 62a_100000210211_100011216222 [0,1,0,0,0,0|2,0,0]=3 8104 B13R1.555 CCCCSCc1ccccc1I 62a_100011216222_100000210210 [0,1,0,0,0,0|2,0,0]=3 8105 B13R1.555 CCCCSCc1ccccc1O 271570a_203496583355_200011870348 [0,1,0,0,0,0|2,0,0]=3 8106 B13R1.555 CCCCSCc1cccnc1Br 62a_100000210211_100010140945 [0,1,0,0,0,0|3,0,0]=4 8107 B13R1.555 CCCCSCc1cccnc1Br 62a_100010140945_100000210210 [0,1,0,0,0,0|3,0,0]=4 8108 B13R1.555 CCCCSCc1cccnc1C 62a_100000210211_100000732876 [0,1,0,0,0,0|3,0,0]=4 8109 B13R1.555 CCCCSCc1cccnc1C 62a_100000732876_100000210210 [0,1,0,0,0,0|3,0,0]=4 8110 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000045678_100000210210 [0,1,0,0,0,0|3,0,0]=4 8111 B13R1.555 CCCCSCc1cccnc1Cl 62a_100000210211_100000045678 [0,1,0,0,0,0|3,0,0]=4 8112 B13R1.555 CCCCSCc1cccnc1F 62a_100000099810_100000210210 [0,1,0,0,0,0|3,0,0]=4 8113 B13R1.555 CCCCSCc1cccnc1F 62a_100000210211_100000099810 [0,1,0,0,0,0|3,0,0]=4 8114 B13R1.555 CCCCSCc1ccncc1C 62a_100000210211_100020672808 [0,1,0,0,0,0|3,0,0]=4 8115 B13R1.555 CCCCSCc1ccncc1C 62a_100020672808_100000210210 [0,1,0,0,0,0|3,0,0]=4 8116 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000210211_100000763264 [0,1,0,0,0,0|3,0,0]=4 8117 B13R1.555 CCCCSCc1ccncc1Cl 62a_100000763264_100000210210 [0,1,0,0,0,0|3,0,0]=4 8118 B13R1.555 CCCCSCc1cnccc1C 62a_100000210211_100000690890 [0,1,0,0,0,0|3,0,0]=4 8119 B13R1.555 CCCCSCc1cnccc1C 62a_100000690890_100000210210 [0,1,0,0,0,0|3,0,0]=4 8120 B13R1.555 CCCCSCc1ncccc1Br 62a_100000210211_100025702911 [0,1,0,0,0,0|3,0,0]=4 8121 B13R1.555 CCCCSCc1ncccc1Br 62a_100025702911_100000210210 [0,1,0,0,0,0|3,0,0]=4 8122 B13R1.555 CCCCSCc1ncccc1C 62a_100000210211_100000696600 [0,1,0,0,0,0|3,0,0]=4 8123 B13R1.555 CCCCSCc1ncccc1C 62a_100000696600_100000210210 [0,1,0,0,0,0|3,0,0]=4 8124 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000099807_100000210210 [0,1,0,0,0,0|3,0,0]=4 8125 B13R1.555 CCCCSCc1ncccc1Cl 62a_100000210211_100000099807 [0,1,0,0,0,0|3,0,0]=4 8126 B13R1.555 CCCCSCc1ncccc1F 62a_100000104219_100000210210 [0,1,0,0,0,0|3,0,0]=4 8127 B13R1.555 CCCCSCc1ncccc1F 62a_100000210211_100000104219 [0,1,0,0,0,0|3,0,0]=4 8128 B13R1.555 CCCCSCc1ncccc1O 62a_100000210211_200020655725 [0,1,0,0,0,0|3,0,0]=4 8129 B13R1.555 CCCCSCc1ncccc1O 62a_200020655725_100000210210 [0,1,0,0,0,0|3,0,0]=4 8130 B13R1.555 CCCNCCc1ccccc1Br 2230a_100000747383_100000210303 [0,1,0,0,0,0|2,0,0]=3 8131 B13R1.555 CCCNCCc1ccccc1Br 34a_100000747383_100000210303 [0,1,0,0,0,0|2,0,0]=3 8132 B13R1.555 CCCNCCc1ccccc1C 2230a_100000685071_100000210303 [0,1,0,0,0,0|2,0,0]=3 8133 B13R1.555 CCCNCCc1ccccc1C 34a_100000685071_100000210303 [0,1,0,0,0,0|2,0,0]=3 8134 B13R1.555 CCCNCCc1ccccc1Cl 2230a_100011207228_100000210303 [0,1,0,0,0,0|2,0,0]=3 8135 B13R1.555 CCCNCCc1ccccc1Cl 270004a_100020643023_200011713468 [0,1,0,0,0,0|2,0,0]=3 8136 B13R1.555 CCCNCCc1ccccc1Cl 34a_100011207228_100000210303 [0,1,0,0,0,0|2,0,0]=3 8137 B13R1.555 CCCNCCc1ccccc1F 2230a_100000185272_100000210303 [0,1,0,0,0,0|2,0,0]=3 8138 B13R1.555 CCCNCCc1ccccc1F 34a_100000185272_100000210303 [0,1,0,0,0,0|2,0,0]=3 8139 B13R1.555 CCCNCCc1ccccc1O 34a_100011207237_100000210303 [0,1,0,0,0,0|2,0,0]=3 8140 B13R1.555 CCCNCCn1ccccc1=O 2230a_100000687133_100000210303 [0,1,0,0,0,0|3,0,0]=4 8141 B13R1.555 CCCOCCc1ccccc1Br 34a_100000210258_100012161201 [0,1,0,0,0,0|2,0,0]=3 8142 B13R1.555 CCCOCCc1ccccc1Br 34a_100000731337_100000210303 [0,1,0,0,0,0|2,0,0]=3 8143 B13R1.555 CCCOCCc1ccccc1Br 7a_100000731337_100000210303 [0,1,0,0,0,0|2,0,0]=3 8144 B13R1.555 CCCOCCc1ccccc1C 34a_100000210258_100011713688 [0,1,0,0,0,0|2,0,0]=3 8145 B13R1.555 CCCOCCc1ccccc1C 34a_100011220023_100000210303 [0,1,0,0,0,0|2,0,0]=3 8146 B13R1.555 CCCOCCc1ccccc1C 7a_100011220023_100000210303 [0,1,0,0,0,0|2,0,0]=3 8147 B13R1.555 CCCOCCc1ccccc1Cl 34a_100000210258_100011713703 [0,1,0,0,0,0|2,0,0]=3 8148 B13R1.555 CCCOCCc1ccccc1Cl 34a_100011215284_100000210303 [0,1,0,0,0,0|2,0,0]=3 8149 B13R1.555 CCCOCCc1ccccc1Cl 7a_100011215284_100000210303 [0,1,0,0,0,0|2,0,0]=3 8150 B13R1.555 CCCOCCc1ccccc1F 34a_100000210258_100000720011 [0,1,0,0,0,0|2,0,0]=3 8151 B13R1.555 CCCOCCc1ccccc1F 34a_100000753711_100000210303 [0,1,0,0,0,0|2,0,0]=3 8152 B13R1.555 CCCOCCc1ccccc1F 7a_100000753711_100000210303 [0,1,0,0,0,0|2,0,0]=3 8153 B13R1.555 CCCOCCc1ccccc1I 34a_100010255290_100000210303 [0,1,0,0,0,0|2,0,0]=3 8154 B13R1.555 CCCOCCc1ccccc1I 7a_100010255290_100000210303 [0,1,0,0,0,0|2,0,0]=3 8155 B13R1.555 CCCOCCc1ccccc1N 34a_100011215289_100000210303 [0,1,0,0,0,0|2,0,0]=3 8156 B13R1.555 CCCOCCc1ccccc1O 34a_100000210258_100000722297 [0,1,0,0,0,0|2,0,0]=3 8157 B13R1.555 CCCOCCc1ncccc1C 34a_100011997706_100000210303 [0,1,0,0,0,0|3,0,0]=4 8158 B13R1.555 CCCOCCc1ncccc1C 7a_100011997706_100000210303 [0,1,0,0,0,0|3,0,0]=4 8159 B13R1.555 CCCSCCc1ccccc1Br 62a_100000210303_100012161201 [0,1,0,0,0,0|2,0,0]=3 8160 B13R1.555 CCCSCCc1ccccc1Br 62a_100012161201_100000210303 [0,1,0,0,0,0|2,0,0]=3 8161 B13R1.555 CCCSCCc1ccccc1C 62a_100000210303_100011713688 [0,1,0,0,0,0|2,0,0]=3 8162 B13R1.555 CCCSCCc1ccccc1C 62a_100011713688_100000210303 [0,1,0,0,0,0|2,0,0]=3 8163 B13R1.555 CCCSCCc1ccccc1Cl 62a_100000210303_100011713703 [0,1,0,0,0,0|2,0,0]=3 8164 B13R1.555 CCCSCCc1ccccc1Cl 62a_100011713703_100000210303 [0,1,0,0,0,0|2,0,0]=3 8165 B13R1.555 CCCSCCc1ccccc1F 62a_100000210303_100011713696 [0,1,0,0,0,0|2,0,0]=3 8166 B13R1.555 CCCSCCc1ccccc1F 62a_100011713696_100000210303 [0,1,0,0,0,0|2,0,0]=3 8167 B13R1.555 CCCSCCc1ccccc1O 62a_100000210303_100000722297 [0,1,0,0,0,0|2,0,0]=3 8168 B13R1.555 CCCSCCc1ccccc1O 62a_100000722297_100000210303 [0,1,0,0,0,0|2,0,0]=3 8169 B13R1.555 CCNCCCc1ccccc1Br 2230a_100015525214_200011713681 [0,1,0,0,0,0|2,0,0]=3 8170 B13R1.555 CCNCCCc1ccccc1F 2230a_100000724733_100000210202 [0,1,0,0,0,0|2,0,0]=3 8171 B13R1.555 CCNCCCc1ccccc1F 34a_100000724733_100000210202 [0,1,0,0,0,0|2,0,0]=3 8172 B13R1.555 CCNCCOc1ccccc1Br 2230a_100000744007_100000210202 [0,1,0,0,0,0|3,0,0]=4 8173 B13R1.555 CCNCCOc1ccccc1Br 2230a_100015525214_100000695877 [0,1,0,0,0,0|3,0,0]=4 8174 B13R1.555 CCNCCOc1ccccc1Br 34a_100000744007_100000210202 [0,1,0,0,0,0|3,0,0]=4 8175 B13R1.555 CCNCCOc1ccccc1C 2230a_100000743344_100000210202 [0,1,0,0,0,0|3,0,0]=4 8176 B13R1.555 CCNCCOc1ccccc1C 2230a_100015525214_100000184434 [0,1,0,0,0,0|3,0,0]=4 8177 B13R1.555 CCNCCOc1ccccc1C 34a_100000743344_100000210202 [0,1,0,0,0,0|3,0,0]=4 8178 B13R1.555 CCNCCOc1ccccc1Cl 2230a_100000174932_100000210202 [0,1,0,0,0,0|3,0,0]=4 8179 B13R1.555 CCNCCOc1ccccc1Cl 34a_100000174932_100000210202 [0,1,0,0,0,0|3,0,0]=4 8180 B13R1.555 CCNCCOc1ccccc1F 2230a_100000683764_100000210202 [0,1,0,0,0,0|3,0,0]=4 8181 B13R1.555 CCNCCOc1ccccc1F 2230a_100015525214_100000183290 [0,1,0,0,0,0|3,0,0]=4 8182 B13R1.555 CCNCCOc1ccccc1F 34a_100000683764_100000210202 [0,1,0,0,0,0|3,0,0]=4 8183 B13R1.555 CCOCCCc1ccccc1Br 34a_100000699526_100000210202 [0,1,0,0,0,0|2,0,0]=3 8184 B13R1.555 CCOCCCc1ccccc1Br 34a_100121572206_200011713681 [0,1,0,0,0,0|2,0,0]=3 8185 B13R1.555 CCOCCCc1ccccc1Br 7a_100000699526_100000210202 [0,1,0,0,0,0|2,0,0]=3 8186 B13R1.555 CCOCCCc1ccccc1Cl 34a_100011709251_100000210202 [0,1,0,0,0,0|2,0,0]=3 8187 B13R1.555 CCOCCCc1ccccc1Cl 7a_100011709251_100000210202 [0,1,0,0,0,0|2,0,0]=3 8188 B13R1.555 CCOCCCc1ccccc1F 34a_100011709249_100000210202 [0,1,0,0,0,0|2,0,0]=3 8189 B13R1.555 CCOCCCc1ccccc1F 7a_100011709249_100000210202 [0,1,0,0,0,0|2,0,0]=3 8190 B13R1.555 CCOCCNc1ccccc1Br 34a_100000210017_100000210147 [0,1,0,0,0,0|3,0,0]=4 8191 B13R1.555 CCOCCNc1ccccc1C 34a_100011233185_100000210202 [0,1,0,0,0,0|3,0,0]=4 8192 B13R1.555 CCOCCNc1ccccc1C 34a_100015192222_100000210147 [0,1,0,0,0,0|3,0,0]=4 8193 B13R1.555 CCOCCNc1ccccc1Cl 34a_100000185783_100000210147 [0,1,0,0,0,0|3,0,0]=4 8194 B13R1.555 CCOCCNc1ccccc1F 34a_100000210422_100000210147 [0,1,0,0,0,0|3,0,0]=4 8195 B13R1.555 CCOCCNc1ccccc1I 34a_100000210053_100000210147 [0,1,0,0,0,0|3,0,0]=4 8196 B13R1.555 CCOCCNc1ccccc1N 34a_100000683943_100000210202 [0,1,0,0,0,0|3,0,0]=4 8197 B13R1.555 CCOCCNc1ccccc1O 34a_100000185747_100000210147 [0,1,0,0,0,0|3,0,0]=4 8198 B13R1.555 CCOCCOc1ccccc1Br 34a_100000181306_100000210147 [0,1,0,0,0,0|3,0,0]=4 8199 B13R1.555 CCOCCOc1ccccc1Br 34a_100000230753_100000210202 [0,1,0,0,0,0|3,0,0]=4 8200 B13R1.555 CCOCCOc1ccccc1Br 34a_100121572206_100000695877 [0,1,0,0,0,0|3,0,0]=4 8201 B13R1.555 CCOCCOc1ccccc1Br 7a_100000181306_100011215890 [0,1,0,0,0,0|3,0,0]=4 8202 B13R1.555 CCOCCOc1ccccc1Br 7a_100000230753_100000210202 [0,1,0,0,0,0|3,0,0]=4 8203 B13R1.555 CCOCCOc1ccccc1C 34a_100000210338_100000210147 [0,1,0,0,0,0|3,0,0]=4 8204 B13R1.555 CCOCCOc1ccccc1C 34a_100121572206_100000184434 [0,1,0,0,0,0|3,0,0]=4 8205 B13R1.555 CCOCCOc1ccccc1C 7a_100000210338_100011215890 [0,1,0,0,0,0|3,0,0]=4 8206 B13R1.555 CCOCCOc1ccccc1Cl 34a_100000210172_100000210147 [0,1,0,0,0,0|3,0,0]=4 8207 B13R1.555 CCOCCOc1ccccc1Cl 34a_200000230518_100000210202 [0,1,0,0,0,0|3,0,0]=4 8208 B13R1.555 CCOCCOc1ccccc1Cl 7a_100000210172_100011215890 [0,1,0,0,0,0|3,0,0]=4 8209 B13R1.555 CCOCCOc1ccccc1Cl 7a_200000230518_100000210202 [0,1,0,0,0,0|3,0,0]=4 8210 B13R1.555 CCOCCOc1ccccc1F 34a_100000210171_100000210147 [0,1,0,0,0,0|3,0,0]=4 8211 B13R1.555 CCOCCOc1ccccc1F 34a_100000756447_100000210202 [0,1,0,0,0,0|3,0,0]=4 8212 B13R1.555 CCOCCOc1ccccc1F 34a_100121572206_100000183290 [0,1,0,0,0,0|3,0,0]=4 8213 B13R1.555 CCOCCOc1ccccc1F 7a_100000210171_100011215890 [0,1,0,0,0,0|3,0,0]=4 8214 B13R1.555 CCOCCOc1ccccc1F 7a_100000756447_100000210202 [0,1,0,0,0,0|3,0,0]=4 8215 B13R1.555 CCOCCOc1ccccc1I 34a_100000739446_100000210147 [0,1,0,0,0,0|3,0,0]=4 8216 B13R1.555 CCOCCOc1ccccc1I 7a_100000739446_100011215890 [0,1,0,0,0,0|3,0,0]=4 8217 B13R1.555 CCOCCOc1ccccc1N 34a_100000185747_100000210147 [0,1,0,0,0,0|3,0,0]=4 8218 B13R1.555 CCOCCOc1ccccc1N 34a_100132302172_100000210202 [0,1,0,0,0,0|3,0,0]=4 8219 B13R1.555 CCOCCOc1ccccc1N 7a_100000185747_100011215890 [0,1,0,0,0,0|3,0,0]=4 8220 B13R1.555 CCOCCSc1ccccc1Br 34a_200000230852_100000210202 [0,1,0,0,0,0|3,0,0]=4 8221 B13R1.555 CCOCCSc1ccccc1Br 62a_100000210147_100000695589 [0,1,0,0,0,0|3,0,0]=4 8222 B13R1.555 CCOCCSc1ccccc1Br 62a_100000695589_100011215890 [0,1,0,0,0,0|3,0,0]=4 8223 B13R1.555 CCOCCSc1ccccc1Br 7a_200000230852_100000210202 [0,1,0,0,0,0|3,0,0]=4 8224 B13R1.555 CCOCCSc1ccccc1C 62a_100000210147_100000210755 [0,1,0,0,0,0|3,0,0]=4 8225 B13R1.555 CCOCCSc1ccccc1C 62a_100000210755_100011215890 [0,1,0,0,0,0|3,0,0]=4 8226 B13R1.555 CCOCCSc1ccccc1Cl 34a_200000230572_100000210202 [0,1,0,0,0,0|3,0,0]=4 8227 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000210147_100000764095 [0,1,0,0,0,0|3,0,0]=4 8228 B13R1.555 CCOCCSc1ccccc1Cl 62a_100000764095_100011215890 [0,1,0,0,0,0|3,0,0]=4 8229 B13R1.555 CCOCCSc1ccccc1Cl 7a_200000230572_100000210202 [0,1,0,0,0,0|3,0,0]=4 8230 B13R1.555 CCOCCSc1ccccc1F 34a_200000230732_100000210202 [0,1,0,0,0,0|3,0,0]=4 8231 B13R1.555 CCOCCSc1ccccc1F 62a_100000210147_100011215700 [0,1,0,0,0,0|3,0,0]=4 8232 B13R1.555 CCOCCSc1ccccc1F 62a_100011215700_100011215890 [0,1,0,0,0,0|3,0,0]=4 8233 B13R1.555 CCOCCSc1ccccc1F 7a_200000230732_100000210202 [0,1,0,0,0,0|3,0,0]=4 8234 B13R1.555 CCOCCSc1ccccc1N 62a_100000210017_100011215890 [0,1,0,0,0,0|3,0,0]=4 8235 B13R1.555 CCOCCSc1ccccc1N 62a_100000210147_100000210017 [0,1,0,0,0,0|3,0,0]=4 8236 B13R1.555 CCOCCSc1ccccc1O 62a_100000210147_100000739446 [0,1,0,0,0,0|3,0,0]=4 8237 B13R1.555 CCOCCSc1ccccc1O 62a_100000739446_100011215890 [0,1,0,0,0,0|3,0,0]=4 8238 B13R1.555 CCOCSCc1ccccc1Br 62a_100000184730_100000739092 [0,1,0,0,0,0|3,0,0]=4 8239 B13R1.555 CCOCSCc1ccccc1Br 62a_100000739092_100000184730 [0,1,0,0,0,0|3,0,0]=4 8240 B13R1.555 CCOCSCc1ccccc1C 62a_100000211839_100000739092 [0,1,0,0,0,0|3,0,0]=4 8241 B13R1.555 CCOCSCc1ccccc1C 62a_100000739092_100000211839 [0,1,0,0,0,0|3,0,0]=4 8242 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000187162_100000739092 [0,1,0,0,0,0|3,0,0]=4 8243 B13R1.555 CCOCSCc1ccccc1Cl 62a_100000739092_100000187162 [0,1,0,0,0,0|3,0,0]=4 8244 B13R1.555 CCOCSCc1ccccc1F 62a_100000211605_100000739092 [0,1,0,0,0,0|3,0,0]=4 8245 B13R1.555 CCOCSCc1ccccc1F 62a_100000739092_100000211605 [0,1,0,0,0,0|3,0,0]=4 8246 B13R1.555 CCOCSCc1ccccc1I 62a_100000739092_100011216222 [0,1,0,0,0,0|3,0,0]=4 8247 B13R1.555 CCOCSCc1ccccc1I 62a_100011216222_100000739092 [0,1,0,0,0,0|3,0,0]=4 8248 B13R1.555 CCSCCCc1ccccc1Br 62a_100000210202_200011713681 [0,1,0,0,0,0|2,0,0]=3 8249 B13R1.555 CCSCCCc1ccccc1Br 62a_200011713681_100000210202 [0,1,0,0,0,0|2,0,0]=3 8250 B13R1.555 CCSCCNc1ccccc1Br 34a_100000210017_100000757381 [0,1,0,0,0,0|3,0,0]=4 8251 B13R1.555 CCSCCNc1ccccc1C 34a_100015192222_100000757381 [0,1,0,0,0,0|3,0,0]=4 8252 B13R1.555 CCSCCNc1ccccc1Cl 34a_100000185783_100000757381 [0,1,0,0,0,0|3,0,0]=4 8253 B13R1.555 CCSCCNc1ccccc1F 34a_100000210422_100000757381 [0,1,0,0,0,0|3,0,0]=4 8254 B13R1.555 CCSCCNc1ccccc1I 34a_100000210053_100000757381 [0,1,0,0,0,0|3,0,0]=4 8255 B13R1.555 CCSCCNc1ccccc1O 34a_100000185747_100000757381 [0,1,0,0,0,0|3,0,0]=4 8256 B13R1.555 CCSCCOc1ccccc1Br 34a_100000181306_100000757381 [0,1,0,0,0,0|3,0,0]=4 8257 B13R1.555 CCSCCOc1ccccc1Br 62a_100000210202_100000695877 [0,1,0,0,0,0|3,0,0]=4 8258 B13R1.555 CCSCCOc1ccccc1Br 62a_100000695877_100000210202 [0,1,0,0,0,0|3,0,0]=4 8259 B13R1.555 CCSCCOc1ccccc1Br 7a_100000181306_100000757381 [0,1,0,0,0,0|3,0,0]=4 8260 B13R1.555 CCSCCOc1ccccc1C 34a_100000210338_100000757381 [0,1,0,0,0,0|3,0,0]=4 8261 B13R1.555 CCSCCOc1ccccc1C 62a_100000184434_100000210202 [0,1,0,0,0,0|3,0,0]=4 8262 B13R1.555 CCSCCOc1ccccc1C 62a_100000210202_100000184434 [0,1,0,0,0,0|3,0,0]=4 8263 B13R1.555 CCSCCOc1ccccc1C 7a_100000210338_100000757381 [0,1,0,0,0,0|3,0,0]=4 8264 B13R1.555 CCSCCOc1ccccc1Cl 34a_100000210172_100000757381 [0,1,0,0,0,0|3,0,0]=4 8265 B13R1.555 CCSCCOc1ccccc1Cl 7a_100000210172_100000757381 [0,1,0,0,0,0|3,0,0]=4 8266 B13R1.555 CCSCCOc1ccccc1F 34a_100000210171_100000757381 [0,1,0,0,0,0|3,0,0]=4 8267 B13R1.555 CCSCCOc1ccccc1F 62a_100000183290_100000210202 [0,1,0,0,0,0|3,0,0]=4 8268 B13R1.555 CCSCCOc1ccccc1F 62a_100000210202_100000183290 [0,1,0,0,0,0|3,0,0]=4 8269 B13R1.555 CCSCCOc1ccccc1F 7a_100000210171_100000757381 [0,1,0,0,0,0|3,0,0]=4 8270 B13R1.555 CCSCCOc1ccccc1I 34a_100000739446_100000757381 [0,1,0,0,0,0|3,0,0]=4 8271 B13R1.555 CCSCCOc1ccccc1I 7a_100000739446_100000757381 [0,1,0,0,0,0|3,0,0]=4 8272 B13R1.555 CCSCCOc1ccccc1N 34a_100000185747_100000757381 [0,1,0,0,0,0|3,0,0]=4 8273 B13R1.555 CCSCCOc1ccccc1N 7a_100000185747_100000757381 [0,1,0,0,0,0|3,0,0]=4 8274 B13R1.555 CCSCCSc1ccccc1Br 62a_100000695589_100000757381 [0,1,0,0,0,0|3,0,0]=4 8275 B13R1.555 CCSCCSc1ccccc1Br 62a_100000757381_100000695589 [0,1,0,0,0,0|3,0,0]=4 8276 B13R1.555 CCSCCSc1ccccc1C 62a_100000210755_100000757381 [0,1,0,0,0,0|3,0,0]=4 8277 B13R1.555 CCSCCSc1ccccc1C 62a_100000757381_100000210755 [0,1,0,0,0,0|3,0,0]=4 8278 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000757381_100000764095 [0,1,0,0,0,0|3,0,0]=4 8279 B13R1.555 CCSCCSc1ccccc1Cl 62a_100000764095_100000757381 [0,1,0,0,0,0|3,0,0]=4 8280 B13R1.555 CCSCCSc1ccccc1F 62a_100000757381_100011215700 [0,1,0,0,0,0|3,0,0]=4 8281 B13R1.555 CCSCCSc1ccccc1F 62a_100011215700_100000757381 [0,1,0,0,0,0|3,0,0]=4 8282 B13R1.555 CCSCCSc1ccccc1N 62a_100000210017_100000757381 [0,1,0,0,0,0|3,0,0]=4 8283 B13R1.555 CCSCCSc1ccccc1N 62a_100000757381_100000210017 [0,1,0,0,0,0|3,0,0]=4 8284 B13R1.555 CCSCCSc1ccccc1O 62a_100000739446_100000757381 [0,1,0,0,0,0|3,0,0]=4 8285 B13R1.555 CCSCCSc1ccccc1O 62a_100000757381_100000739446 [0,1,0,0,0,0|3,0,0]=4 8286 B13R1.555 CNCCCOc1ccccc1Br 2230a_106832991635_200011259276 [0,1,0,0,0,0|3,0,0]=4 8287 B13R1.555 CNCCCOc1ccccc1Br 34a_100102657272_200011259276 [0,1,0,0,0,0|3,0,0]=4 8288 B13R1.555 CNCCCOc1ccccc1Br 7a_106832991635_200011259276 [0,1,0,0,0,0|3,0,0]=4 8289 B13R1.555 CNCCCOc1ccccc1C 2230a_106633784460_200000210301 [0,1,0,0,0,0|3,0,0]=4 8290 B13R1.555 CNCCCOc1ccccc1C 2230a_106832991635_100000742659 [0,1,0,0,0,0|3,0,0]=4 8291 B13R1.555 CNCCCOc1ccccc1C 34a_100102657272_100000742659 [0,1,0,0,0,0|3,0,0]=4 8292 B13R1.555 CNCCCOc1ccccc1C 34a_106633784460_200000210301 [0,1,0,0,0,0|3,0,0]=4 8293 B13R1.555 CNCCCOc1ccccc1C 7a_106832991635_100000742659 [0,1,0,0,0,0|3,0,0]=4 8294 B13R1.555 CNCCCOc1ccccc1F 2230a_100000707858_200000210301 [0,1,0,0,0,0|3,0,0]=4 8295 B13R1.555 CNCCCOc1ccccc1F 2230a_106832991635_100011203253 [0,1,0,0,0,0|3,0,0]=4 8296 B13R1.555 CNCCCOc1ccccc1F 34a_100000707858_200000210301 [0,1,0,0,0,0|3,0,0]=4 8297 B13R1.555 CNCCCOc1ccccc1F 34a_100102657272_100011203253 [0,1,0,0,0,0|3,0,0]=4 8298 B13R1.555 CNCCCOc1ccccc1F 7a_106832991635_100011203253 [0,1,0,0,0,0|3,0,0]=4 8299 B13R1.555 CNCCCOc1ccccc1O 271570a_203496583355_100015186278 [0,1,0,0,0,0|3,0,0]=4 8300 B13R1.555 CNCCCSc1ccccc1Cl 2230a_106832991635_100000750589 [0,1,0,0,0,0|3,0,0]=4 8301 B13R1.555 CNCCCSc1ccccc1Cl 34a_100102657272_100000750589 [0,1,0,0,0,0|3,0,0]=4 8302 B13R1.555 CNCCCSc1ccccc1Cl 7a_106832991635_100000750589 [0,1,0,0,0,0|3,0,0]=4 8303 B13R1.555 CNCCOCc1ccccc1Cl 2230a_100000745786_200000210301 [0,1,0,0,0,0|3,0,0]=4 8304 B13R1.555 CNCCOCc1ccccc1Cl 34a_100000745786_200000210301 [0,1,0,0,0,0|3,0,0]=4 8305 B13R1.555 CNCCSCc1ccccc1C 2230a_200000189569_200000210301 [0,1,0,0,0,0|3,0,0]=4 8306 B13R1.555 CNCCSCc1ccccc1C 34a_200000189569_200000210301 [0,1,0,0,0,0|3,0,0]=4 8307 B13R1.555 CNCCSCc1ccccc1C 7a_200000189569_200000210301 [0,1,0,0,0,0|3,0,0]=4 8308 B13R1.555 CNCCSCc1ccccc1Cl 2230a_100011219180_200000210301 [0,1,0,0,0,0|3,0,0]=4 8309 B13R1.555 CNCCSCc1ccccc1Cl 34a_100011219180_200000210301 [0,1,0,0,0,0|3,0,0]=4 8310 B13R1.555 CNCCSCc1ccccc1Cl 7a_100011219180_200000210301 [0,1,0,0,0,0|3,0,0]=4 8311 B13R1.555 COCCCCc1ccccc1Br 34a_100012092669_200000210301 [0,1,0,0,0,0|2,0,0]=3 8312 B13R1.555 COCCCCc1ccccc1Br 7a_100012092669_200000210301 [0,1,0,0,0,0|2,0,0]=3 8313 B13R1.555 COCCCNc1ccccc1Br 34a_100000210017_100000740836 [0,1,0,0,0,0|3,0,0]=4 8314 B13R1.555 COCCCNc1ccccc1C 34a_100015192222_100000740836 [0,1,0,0,0,0|3,0,0]=4 8315 B13R1.555 COCCCNc1ccccc1Cl 34a_100000185783_100000740836 [0,1,0,0,0,0|3,0,0]=4 8316 B13R1.555 COCCCNc1ccccc1F 34a_100000210422_100000740836 [0,1,0,0,0,0|3,0,0]=4 8317 B13R1.555 COCCCNc1ccccc1I 34a_100000210053_100000740836 [0,1,0,0,0,0|3,0,0]=4 8318 B13R1.555 COCCCNc1ccccc1O 34a_100000185747_100000740836 [0,1,0,0,0,0|3,0,0]=4 8319 B13R1.555 COCCCOc1ccccc1Br 34a_100000181306_100000740836 [0,1,0,0,0,0|3,0,0]=4 8320 B13R1.555 COCCCOc1ccccc1Br 34a_100138415774_200011259276 [0,1,0,0,0,0|3,0,0]=4 8321 B13R1.555 COCCCOc1ccccc1Br 7a_100000181306_100000740836 [0,1,0,0,0,0|3,0,0]=4 8322 B13R1.555 COCCCOc1ccccc1C 34a_100000210338_100000740836 [0,1,0,0,0,0|3,0,0]=4 8323 B13R1.555 COCCCOc1ccccc1C 34a_100138415774_100000742659 [0,1,0,0,0,0|3,0,0]=4 8324 B13R1.555 COCCCOc1ccccc1C 7a_100000210338_100000740836 [0,1,0,0,0,0|3,0,0]=4 8325 B13R1.555 COCCCOc1ccccc1Cl 34a_100000210172_100000740836 [0,1,0,0,0,0|3,0,0]=4 8326 B13R1.555 COCCCOc1ccccc1Cl 34a_100000230521_200000210301 [0,1,0,0,0,0|3,0,0]=4 8327 B13R1.555 COCCCOc1ccccc1Cl 7a_100000210172_100000740836 [0,1,0,0,0,0|3,0,0]=4 8328 B13R1.555 COCCCOc1ccccc1Cl 7a_100000230521_200000210301 [0,1,0,0,0,0|3,0,0]=4 8329 B13R1.555 COCCCOc1ccccc1F 34a_100000210171_100000740836 [0,1,0,0,0,0|3,0,0]=4 8330 B13R1.555 COCCCOc1ccccc1F 34a_100138415774_100011203253 [0,1,0,0,0,0|3,0,0]=4 8331 B13R1.555 COCCCOc1ccccc1F 7a_100000210171_100000740836 [0,1,0,0,0,0|3,0,0]=4 8332 B13R1.555 COCCCOc1ccccc1I 34a_100000739446_100000740836 [0,1,0,0,0,0|3,0,0]=4 8333 B13R1.555 COCCCOc1ccccc1I 7a_100000739446_100000740836 [0,1,0,0,0,0|3,0,0]=4 8334 B13R1.555 COCCCOc1ccccc1N 34a_100000185747_100000740836 [0,1,0,0,0,0|3,0,0]=4 8335 B13R1.555 COCCCOc1ccccc1N 7a_100000185747_100000740836 [0,1,0,0,0,0|3,0,0]=4 8336 B13R1.555 COCCCSc1ccccc1Br 62a_100000695589_100000709357 [0,1,0,0,0,0|3,0,0]=4 8337 B13R1.555 COCCCSc1ccccc1Br 62a_100000709357_100000695589 [0,1,0,0,0,0|3,0,0]=4 8338 B13R1.555 COCCCSc1ccccc1C 62a_100000210755_100000709357 [0,1,0,0,0,0|3,0,0]=4 8339 B13R1.555 COCCCSc1ccccc1C 62a_100000709357_100000210755 [0,1,0,0,0,0|3,0,0]=4 8340 B13R1.555 COCCCSc1ccccc1Cl 34a_100138415774_100000750589 [0,1,0,0,0,0|3,0,0]=4 8341 B13R1.555 COCCCSc1ccccc1Cl 62a_100000709357_100000764095 [0,1,0,0,0,0|3,0,0]=4 8342 B13R1.555 COCCCSc1ccccc1Cl 62a_100000764095_100000709357 [0,1,0,0,0,0|3,0,0]=4 8343 B13R1.555 COCCCSc1ccccc1F 62a_100000709357_100011215700 [0,1,0,0,0,0|3,0,0]=4 8344 B13R1.555 COCCCSc1ccccc1F 62a_100011215700_100000709357 [0,1,0,0,0,0|3,0,0]=4 8345 B13R1.555 COCCCSc1ccccc1N 62a_100000210017_100000709357 [0,1,0,0,0,0|3,0,0]=4 8346 B13R1.555 COCCCSc1ccccc1N 62a_100000709357_100000210017 [0,1,0,0,0,0|3,0,0]=4 8347 B13R1.555 COCCCSc1ccccc1O 62a_100000709357_100000739446 [0,1,0,0,0,0|3,0,0]=4 8348 B13R1.555 COCCCSc1ccccc1O 62a_100000739446_100000709357 [0,1,0,0,0,0|3,0,0]=4 8349 B13R1.555 COCCNCc1ccccc1Br 207a_100000209980_100000211189 [0,1,0,0,0,0|3,0,0]=4 8350 B13R1.555 COCCNCc1ccccc1Br 2230a_100000209980_100000184730 [0,1,0,0,0,0|3,0,0]=4 8351 B13R1.555 COCCNCc1ccccc1Br 2230a_100000689332_100011201679 [0,1,0,0,0,0|3,0,0]=4 8352 B13R1.555 COCCNCc1ccccc1Br 270004a_100000209980_100000211189 [0,1,0,0,0,0|3,0,0]=4 8353 B13R1.555 COCCNCc1ccccc1Br 34a_100000689332_100011201679 [0,1,0,0,0,0|3,0,0]=4 8354 B13R1.555 COCCNCc1ccccc1Br 34a_106744479749_200000210301 [0,1,0,0,0,0|3,0,0]=4 8355 B13R1.555 COCCNCc1ccccc1C 207a_100000209980_100000211143 [0,1,0,0,0,0|3,0,0]=4 8356 B13R1.555 COCCNCc1ccccc1C 2230a_100000209980_100000211839 [0,1,0,0,0,0|3,0,0]=4 8357 B13R1.555 COCCNCc1ccccc1C 270004a_100000209980_100000211143 [0,1,0,0,0,0|3,0,0]=4 8358 B13R1.555 COCCNCc1ccccc1C 34a_100000174972_100011201679 [0,1,0,0,0,0|3,0,0]=4 8359 B13R1.555 COCCNCc1ccccc1Cl 207a_100000209980_100000210073 [0,1,0,0,0,0|3,0,0]=4 8360 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000174879_100011201679 [0,1,0,0,0,0|3,0,0]=4 8361 B13R1.555 COCCNCc1ccccc1Cl 2230a_100000209980_100000187162 [0,1,0,0,0,0|3,0,0]=4 8362 B13R1.555 COCCNCc1ccccc1Cl 270004a_100000209980_100000210073 [0,1,0,0,0,0|3,0,0]=4 8363 B13R1.555 COCCNCc1ccccc1Cl 34a_100000174879_100011201679 [0,1,0,0,0,0|3,0,0]=4 8364 B13R1.555 COCCNCc1ccccc1Cl 34a_100015187164_200000210301 [0,1,0,0,0,0|3,0,0]=4 8365 B13R1.555 COCCNCc1ccccc1F 207a_100000209980_100000210811 [0,1,0,0,0,0|3,0,0]=4 8366 B13R1.555 COCCNCc1ccccc1F 2230a_100000209980_100000211605 [0,1,0,0,0,0|3,0,0]=4 8367 B13R1.555 COCCNCc1ccccc1F 270004a_100000209980_100000210811 [0,1,0,0,0,0|3,0,0]=4 8368 B13R1.555 COCCNCc1ccccc1F 34a_100000174869_100011201679 [0,1,0,0,0,0|3,0,0]=4 8369 B13R1.555 COCCNCc1ccccc1I 207a_100000209980_100000010305 [0,1,0,0,0,0|3,0,0]=4 8370 B13R1.555 COCCNCc1ccccc1I 2230a_100000209980_100011215278 [0,1,0,0,0,0|3,0,0]=4 8371 B13R1.555 COCCNCc1ccccc1I 270004a_100000209980_100000010305 [0,1,0,0,0,0|3,0,0]=4 8372 B13R1.555 COCCNCc1ccccc1O 34a_100000185550_100011201679 [0,1,0,0,0,0|3,0,0]=4 8373 B13R1.555 COCCOCc1ccccc1Br 34a_100000210237_100000184730 [0,1,0,0,0,0|3,0,0]=4 8374 B13R1.555 COCCOCc1ccccc1Br 34a_100000756307_100011201679 [0,1,0,0,0,0|3,0,0]=4 8375 B13R1.555 COCCOCc1ccccc1Br 7a_100000756307_100000233755 [0,1,0,0,0,0|3,0,0]=4 8376 B13R1.555 COCCOCc1ccccc1C 34a_100000210237_100000211839 [0,1,0,0,0,0|3,0,0]=4 8377 B13R1.555 COCCOCc1ccccc1C 34a_100000698903_100011201679 [0,1,0,0,0,0|3,0,0]=4 8378 B13R1.555 COCCOCc1ccccc1C 7a_100000698903_100000233755 [0,1,0,0,0,0|3,0,0]=4 8379 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210237_100000187162 [0,1,0,0,0,0|3,0,0]=4 8380 B13R1.555 COCCOCc1ccccc1Cl 34a_100000210847_100011201679 [0,1,0,0,0,0|3,0,0]=4 8381 B13R1.555 COCCOCc1ccccc1Cl 7a_100000210847_100000233755 [0,1,0,0,0,0|3,0,0]=4 8382 B13R1.555 COCCOCc1ccccc1F 34a_100000210237_100000211605 [0,1,0,0,0,0|3,0,0]=4 8383 B13R1.555 COCCOCc1ccccc1F 34a_100000211962_100011201679 [0,1,0,0,0,0|3,0,0]=4 8384 B13R1.555 COCCOCc1ccccc1F 7a_100000211962_100000233755 [0,1,0,0,0,0|3,0,0]=4 8385 B13R1.555 COCCOCc1ccccc1I 34a_100000187465_100011201679 [0,1,0,0,0,0|3,0,0]=4 8386 B13R1.555 COCCOCc1ccccc1I 34a_100000210237_100011215278 [0,1,0,0,0,0|3,0,0]=4 8387 B13R1.555 COCCOCc1ccccc1I 7a_100000187465_100000233755 [0,1,0,0,0,0|3,0,0]=4 8388 B13R1.555 COCCOCc1ccccc1N 34a_100000212039_100011201679 [0,1,0,0,0,0|3,0,0]=4 8389 B13R1.555 COCCSCc1ccccc1Br 62a_100000184730_100000233755 [0,1,0,0,0,0|3,0,0]=4 8390 B13R1.555 COCCSCc1ccccc1Br 62a_100000233755_100000184730 [0,1,0,0,0,0|3,0,0]=4 8391 B13R1.555 COCCSCc1ccccc1C 62a_100000211839_100000233755 [0,1,0,0,0,0|3,0,0]=4 8392 B13R1.555 COCCSCc1ccccc1C 62a_100000233755_100000211839 [0,1,0,0,0,0|3,0,0]=4 8393 B13R1.555 COCCSCc1ccccc1Cl 62a_100000187162_100000233755 [0,1,0,0,0,0|3,0,0]=4 8394 B13R1.555 COCCSCc1ccccc1Cl 62a_100000233755_100000187162 [0,1,0,0,0,0|3,0,0]=4 8395 B13R1.555 COCCSCc1ccccc1F 62a_100000211605_100000233755 [0,1,0,0,0,0|3,0,0]=4 8396 B13R1.555 COCCSCc1ccccc1F 62a_100000233755_100000211605 [0,1,0,0,0,0|3,0,0]=4 8397 B13R1.555 COCCSCc1ccccc1I 62a_100000233755_100011216222 [0,1,0,0,0,0|3,0,0]=4 8398 B13R1.555 COCCSCc1ccccc1I 62a_100011216222_100000233755 [0,1,0,0,0,0|3,0,0]=4 8399 B13R1.555 COCNCCc1ccccc1Br 2230a_100000747383_100000766300 [0,1,0,0,0,0|3,0,0]=4 8400 B13R1.555 COCNCCc1ccccc1C 2230a_100000685071_100000766300 [0,1,0,0,0,0|3,0,0]=4 8401 B13R1.555 COCNCCc1ccccc1Cl 2230a_100011207228_100000766300 [0,1,0,0,0,0|3,0,0]=4 8402 B13R1.555 COCNCCc1ccccc1F 2230a_100000185272_100000766300 [0,1,0,0,0,0|3,0,0]=4 8403 B13R1.555 COCSCCc1ccccc1Br 62a_100000766300_100012161201 [0,1,0,0,0,0|3,0,0]=4 8404 B13R1.555 COCSCCc1ccccc1Br 62a_100012161201_100000766300 [0,1,0,0,0,0|3,0,0]=4 8405 B13R1.555 COCSCCc1ccccc1C 62a_100000766300_100011713688 [0,1,0,0,0,0|3,0,0]=4 8406 B13R1.555 COCSCCc1ccccc1C 62a_100011713688_100000766300 [0,1,0,0,0,0|3,0,0]=4 8407 B13R1.555 COCSCCc1ccccc1Cl 62a_100000766300_100011713703 [0,1,0,0,0,0|3,0,0]=4 8408 B13R1.555 COCSCCc1ccccc1Cl 62a_100011713703_100000766300 [0,1,0,0,0,0|3,0,0]=4 8409 B13R1.555 COCSCCc1ccccc1F 62a_100000766300_100011713696 [0,1,0,0,0,0|3,0,0]=4 8410 B13R1.555 COCSCCc1ccccc1F 62a_100011713696_100000766300 [0,1,0,0,0,0|3,0,0]=4 8411 B13R1.555 COCSCCc1ccccc1O 62a_100000722297_100000766300 [0,1,0,0,0,0|3,0,0]=4 8412 B13R1.555 COCSCCc1ccccc1O 62a_100000766300_100000722297 [0,1,0,0,0,0|3,0,0]=4 8413 B13R1.555 CSCCCOc1ccccc1Br 62a_200000210301_200011259276 [0,1,0,0,0,0|3,0,0]=4 8414 B13R1.555 CSCCCOc1ccccc1Br 62a_200011259276_200000210301 [0,1,0,0,0,0|3,0,0]=4 8415 B13R1.555 CSCCCOc1ccccc1C 62a_100000742659_200000210301 [0,1,0,0,0,0|3,0,0]=4 8416 B13R1.555 CSCCCOc1ccccc1C 62a_200000210301_100000742659 [0,1,0,0,0,0|3,0,0]=4 8417 B13R1.555 CSCCCOc1ccccc1F 62a_100011203253_200000210301 [0,1,0,0,0,0|3,0,0]=4 8418 B13R1.555 CSCCCOc1ccccc1F 62a_200000210301_100011203253 [0,1,0,0,0,0|3,0,0]=4 8419 B13R1.555 CSCCCSc1ccccc1Cl 62a_100000750589_200000210301 [0,1,0,0,0,0|3,0,0]=4 8420 B13R1.555 CSCCCSc1ccccc1Cl 62a_200000210301_100000750589 [0,1,0,0,0,0|3,0,0]=4 8421 B13R1.555 CSCCNCc1ccccc1Br 207a_100020590264_100000211189 [0,1,0,0,0,0|3,0,0]=4 8422 B13R1.555 CSCCNCc1ccccc1Br 2230a_100000689332_100000751147 [0,1,0,0,0,0|3,0,0]=4 8423 B13R1.555 CSCCNCc1ccccc1Br 2230a_100020590264_100000184730 [0,1,0,0,0,0|3,0,0]=4 8424 B13R1.555 CSCCNCc1ccccc1Br 270004a_100020590264_100000211189 [0,1,0,0,0,0|3,0,0]=4 8425 B13R1.555 CSCCNCc1ccccc1Br 34a_100000689332_100000212216 [0,1,0,0,0,0|3,0,0]=4 8426 B13R1.555 CSCCNCc1ccccc1C 207a_100020590264_100000211143 [0,1,0,0,0,0|3,0,0]=4 8427 B13R1.555 CSCCNCc1ccccc1C 2230a_100020590264_100000211839 [0,1,0,0,0,0|3,0,0]=4 8428 B13R1.555 CSCCNCc1ccccc1C 270004a_100020590264_100000211143 [0,1,0,0,0,0|3,0,0]=4 8429 B13R1.555 CSCCNCc1ccccc1C 34a_100000174972_100000212216 [0,1,0,0,0,0|3,0,0]=4 8430 B13R1.555 CSCCNCc1ccccc1Cl 207a_100020590264_100000210073 [0,1,0,0,0,0|3,0,0]=4 8431 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100000174879_100000751147 [0,1,0,0,0,0|3,0,0]=4 8432 B13R1.555 CSCCNCc1ccccc1Cl 2230a_100020590264_100000187162 [0,1,0,0,0,0|3,0,0]=4 8433 B13R1.555 CSCCNCc1ccccc1Cl 270004a_100020590264_100000210073 [0,1,0,0,0,0|3,0,0]=4 8434 B13R1.555 CSCCNCc1ccccc1Cl 34a_100000174879_100000212216 [0,1,0,0,0,0|3,0,0]=4 8435 B13R1.555 CSCCNCc1ccccc1F 207a_100020590264_100000210811 [0,1,0,0,0,0|3,0,0]=4 8436 B13R1.555 CSCCNCc1ccccc1F 2230a_100020590264_100000211605 [0,1,0,0,0,0|3,0,0]=4 8437 B13R1.555 CSCCNCc1ccccc1F 270004a_100020590264_100000210811 [0,1,0,0,0,0|3,0,0]=4 8438 B13R1.555 CSCCNCc1ccccc1F 34a_100000174869_100000212216 [0,1,0,0,0,0|3,0,0]=4 8439 B13R1.555 CSCCNCc1ccccc1I 207a_100020590264_100000010305 [0,1,0,0,0,0|3,0,0]=4 8440 B13R1.555 CSCCNCc1ccccc1I 2230a_100020590264_100011215278 [0,1,0,0,0,0|3,0,0]=4 8441 B13R1.555 CSCCNCc1ccccc1I 270004a_100020590264_100000010305 [0,1,0,0,0,0|3,0,0]=4 8442 B13R1.555 CSCCNCc1ccccc1O 34a_100000185550_100000212216 [0,1,0,0,0,0|3,0,0]=4 8443 B13R1.555 CSCCOCc1ccccc1Br 34a_100000230434_100000184730 [0,1,0,0,0,0|3,0,0]=4 8444 B13R1.555 CSCCOCc1ccccc1Br 34a_100000756307_100000212216 [0,1,0,0,0,0|3,0,0]=4 8445 B13R1.555 CSCCOCc1ccccc1Br 7a_100000230434_100000184730 [0,1,0,0,0,0|3,0,0]=4 8446 B13R1.555 CSCCOCc1ccccc1Br 7a_100000756307_100000212216 [0,1,0,0,0,0|3,0,0]=4 8447 B13R1.555 CSCCOCc1ccccc1C 34a_100000230434_100000211839 [0,1,0,0,0,0|3,0,0]=4 8448 B13R1.555 CSCCOCc1ccccc1C 34a_100000698903_100000212216 [0,1,0,0,0,0|3,0,0]=4 8449 B13R1.555 CSCCOCc1ccccc1C 7a_100000230434_100000211839 [0,1,0,0,0,0|3,0,0]=4 8450 B13R1.555 CSCCOCc1ccccc1C 7a_100000698903_100000212216 [0,1,0,0,0,0|3,0,0]=4 8451 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000210847_100000212216 [0,1,0,0,0,0|3,0,0]=4 8452 B13R1.555 CSCCOCc1ccccc1Cl 34a_100000230434_100000187162 [0,1,0,0,0,0|3,0,0]=4 8453 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000210847_100000212216 [0,1,0,0,0,0|3,0,0]=4 8454 B13R1.555 CSCCOCc1ccccc1Cl 7a_100000230434_100000187162 [0,1,0,0,0,0|3,0,0]=4 8455 B13R1.555 CSCCOCc1ccccc1F 34a_100000211962_100000212216 [0,1,0,0,0,0|3,0,0]=4 8456 B13R1.555 CSCCOCc1ccccc1F 34a_100000230434_100000211605 [0,1,0,0,0,0|3,0,0]=4 8457 B13R1.555 CSCCOCc1ccccc1F 7a_100000211962_100000212216 [0,1,0,0,0,0|3,0,0]=4 8458 B13R1.555 CSCCOCc1ccccc1F 7a_100000230434_100000211605 [0,1,0,0,0,0|3,0,0]=4 8459 B13R1.555 CSCCOCc1ccccc1I 34a_100000187465_100000212216 [0,1,0,0,0,0|3,0,0]=4 8460 B13R1.555 CSCCOCc1ccccc1I 34a_100000230434_100011215278 [0,1,0,0,0,0|3,0,0]=4 8461 B13R1.555 CSCCOCc1ccccc1I 7a_100000187465_100000212216 [0,1,0,0,0,0|3,0,0]=4 8462 B13R1.555 CSCCOCc1ccccc1I 7a_100000230434_100011215278 [0,1,0,0,0,0|3,0,0]=4 8463 B13R1.555 CSCCOCc1ccccc1N 34a_100000212039_100000212216 [0,1,0,0,0,0|3,0,0]=4 8464 B13R1.555 CSCCSCc1ccccc1Br 62a_100000184730_100000751147 [0,1,0,0,0,0|3,0,0]=4 8465 B13R1.555 CSCCSCc1ccccc1Br 62a_100000212216_100000184730 [0,1,0,0,0,0|3,0,0]=4 8466 B13R1.555 CSCCSCc1ccccc1C 62a_100000211839_100000751147 [0,1,0,0,0,0|3,0,0]=4 8467 B13R1.555 CSCCSCc1ccccc1C 62a_100000212216_100000211839 [0,1,0,0,0,0|3,0,0]=4 8468 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000187162_100000751147 [0,1,0,0,0,0|3,0,0]=4 8469 B13R1.555 CSCCSCc1ccccc1Cl 62a_100000212216_100000187162 [0,1,0,0,0,0|3,0,0]=4 8470 B13R1.555 CSCCSCc1ccccc1F 62a_100000211605_100000751147 [0,1,0,0,0,0|3,0,0]=4 8471 B13R1.555 CSCCSCc1ccccc1F 62a_100000212216_100000211605 [0,1,0,0,0,0|3,0,0]=4 8472 B13R1.555 CSCCSCc1ccccc1I 62a_100000212216_100011216222 [0,1,0,0,0,0|3,0,0]=4 8473 B13R1.555 CSCCSCc1ccccc1I 62a_100011216222_100000751147 [0,1,0,0,0,0|3,0,0]=4 8474 B13R1.555 CSCNCCc1ccccc1Br 2230a_100000747383_100011218213 [0,1,0,0,0,0|3,0,0]=4 8475 B13R1.555 CSCNCCc1ccccc1Br 34a_100000747383_100011218213 [0,1,0,0,0,0|3,0,0]=4 8476 B13R1.555 CSCNCCc1ccccc1C 2230a_100000685071_100011218213 [0,1,0,0,0,0|3,0,0]=4 8477 B13R1.555 CSCNCCc1ccccc1C 34a_100000685071_100011218213 [0,1,0,0,0,0|3,0,0]=4 8478 B13R1.555 CSCNCCc1ccccc1Cl 2230a_100011207228_100011218213 [0,1,0,0,0,0|3,0,0]=4 8479 B13R1.555 CSCNCCc1ccccc1Cl 34a_100011207228_100011218213 [0,1,0,0,0,0|3,0,0]=4 8480 B13R1.555 CSCNCCc1ccccc1F 2230a_100000185272_100011218213 [0,1,0,0,0,0|3,0,0]=4 8481 B13R1.555 CSCNCCc1ccccc1F 34a_100000185272_100011218213 [0,1,0,0,0,0|3,0,0]=4 8482 B13R1.555 CSCNCCc1ccccc1O 34a_100011207237_100011218213 [0,1,0,0,0,0|3,0,0]=4 8483 B13R1.555 CSCOCCc1ccccc1Br 34a_100000731337_100011218213 [0,1,0,0,0,0|3,0,0]=4 8484 B13R1.555 CSCOCCc1ccccc1C 34a_100011220023_100011218213 [0,1,0,0,0,0|3,0,0]=4 8485 B13R1.555 CSCOCCc1ccccc1Cl 34a_100011215284_100011218213 [0,1,0,0,0,0|3,0,0]=4 8486 B13R1.555 CSCOCCc1ccccc1F 34a_100000753711_100011218213 [0,1,0,0,0,0|3,0,0]=4 8487 B13R1.555 CSCOCCc1ccccc1I 34a_100010255290_100011218213 [0,1,0,0,0,0|3,0,0]=4 8488 B13R1.555 CSCOCCc1ccccc1N 34a_100011215289_100011218213 [0,1,0,0,0,0|3,0,0]=4 8489 B13R1.555 CSCSCCc1ccccc1Br 62a_100011218213_100012161201 [0,1,0,0,0,0|3,0,0]=4 8490 B13R1.555 CSCSCCc1ccccc1Br 62a_100012161201_100011218213 [0,1,0,0,0,0|3,0,0]=4 8491 B13R1.555 CSCSCCc1ccccc1C 62a_100011218213_100011713688 [0,1,0,0,0,0|3,0,0]=4 8492 B13R1.555 CSCSCCc1ccccc1C 62a_100011713688_100011218213 [0,1,0,0,0,0|3,0,0]=4 8493 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011218213_100011713703 [0,1,0,0,0,0|3,0,0]=4 8494 B13R1.555 CSCSCCc1ccccc1Cl 62a_100011713703_100011218213 [0,1,0,0,0,0|3,0,0]=4 8495 B13R1.555 CSCSCCc1ccccc1F 62a_100011218213_100011713696 [0,1,0,0,0,0|3,0,0]=4 8496 B13R1.555 CSCSCCc1ccccc1F 62a_100011713696_100011218213 [0,1,0,0,0,0|3,0,0]=4 8497 B13R1.555 CSCSCCc1ccccc1O 62a_100000722297_100011218213 [0,1,0,0,0,0|3,0,0]=4 8498 B13R1.555 CSCSCCc1ccccc1O 62a_100011218213_100000722297 [0,1,0,0,0,0|3,0,0]=4 8499 B13R1.555 C[n+]1ccccc1SCCCCF 62a_100000729493_100000212160 [0,1,0,0,0,0|3,0,0]=4 8500 B13R1.555 C[n+]1ccccc1SCCCCO 62a_100000210776_100000212160 [0,1,0,0,0,0|2,0,0]=3 8501 B13R1.555 Cc1ccccc1C=NNCCO 4a_100000210001_100000211143 [0,1,0,0,0,0|2,0,1]=4 8502 B13R1.555 Cc1ccccc1CCNCC#N 2230a_100000685071_100011215382 [0,1,0,0,0,0|2,0,1]=4 8503 B13R1.555 Cc1ccccc1CCNCC=O 2230a_100000685071_200015260668 [0,1,0,0,0,0|1,0,2]=4 8504 B13R1.555 Cc1ccccc1CCNCC=O 34a_100000685071_200009817547 [0,1,0,0,0,0|1,0,2]=4 8505 B13R1.555 Cc1ccccc1CCNCCF 2230a_100000685071_100011217306 [0,1,0,0,0,0|2,0,0]=3 8506 B13R1.555 Cc1ccccc1CCNCCF 34a_100000685071_100011217306 [0,1,0,0,0,0|2,0,0]=3 8507 B13R1.555 Cc1ccccc1CCNCCF 34a_100000724931_100011713688 [0,1,0,0,0,0|2,0,0]=3 8508 B13R1.555 Cc1ccccc1CCNCCO 2230a_100000685071_100000211926 [0,1,0,0,0,0|1,0,0]=2 8509 B13R1.555 Cc1ccccc1CCNCCO 2230a_100016997473_100011713688 [0,1,0,0,0,0|1,0,0]=2 8510 B13R1.555 Cc1ccccc1CCNCCO 34a_100000685071_100000211926 [0,1,0,0,0,0|1,0,0]=2 8511 B13R1.555 Cc1ccccc1CCNCCO 34a_100016990907_100011713688 [0,1,0,0,0,0|1,0,0]=2 8512 B13R1.555 Cc1ccccc1CCOCC#N 7a_100011220023_100011215382 [0,1,0,0,0,0|2,0,1]=4 8513 B13R1.555 Cc1ccccc1CCOCC=O 34a_100011220023_200009817547 [0,1,0,0,0,0|1,0,2]=4 8514 B13R1.555 Cc1ccccc1CCOCC=O 7a_100011220023_200015260668 [0,1,0,0,0,0|1,0,2]=4 8515 B13R1.555 Cc1ccccc1CCOCCBr 34a_100000211926_100011713688 [0,1,0,0,0,0|2,0,0]=3 8516 B13R1.555 Cc1ccccc1CCOCCF 34a_100011220023_100011217306 [0,1,0,0,0,0|2,0,0]=3 8517 B13R1.555 Cc1ccccc1CCOCCF 7a_100011220023_100011217306 [0,1,0,0,0,0|2,0,0]=3 8518 B13R1.555 Cc1ccccc1CCOCCN 34a_100000210304_100011713688 [0,1,0,0,0,0|2,0,0]=3 8519 B13R1.555 Cc1ccccc1CCOCCO 34a_100011220023_100000211926 [0,1,0,0,0,0|1,0,0]=2 8520 B13R1.555 Cc1ccccc1CCOCCO 7a_100011220023_100000211926 [0,1,0,0,0,0|1,0,0]=2 8521 B13R1.555 Cc1ccccc1CCSCC#N 62a_100011215382_100011713688 [0,1,0,0,0,0|2,0,1]=4 8522 B13R1.555 Cc1ccccc1CCSCC#N 62a_100011713688_100011215382 [0,1,0,0,0,0|2,0,1]=4 8523 B13R1.555 Cc1ccccc1CCSCC=O 62a_100011713688_200015260668 [0,1,0,0,0,0|1,0,2]=4 8524 B13R1.555 Cc1ccccc1CCSCC=O 62a_200015260668_100011713688 [0,1,0,0,0,0|1,0,2]=4 8525 B13R1.555 Cc1ccccc1CCSCCF 62a_100011217306_100011713688 [0,1,0,0,0,0|2,0,0]=3 8526 B13R1.555 Cc1ccccc1CCSCCF 62a_100011713688_100011217306 [0,1,0,0,0,0|2,0,0]=3 8527 B13R1.555 Cc1ccccc1CCSCCO 62a_100000211926_100011713688 [0,1,0,0,0,0|1,0,0]=2 8528 B13R1.555 Cc1ccccc1CCSCCO 62a_100011713688_100000211926 [0,1,0,0,0,0|1,0,0]=2 8529 B13R1.555 Cc1ccccc1CNCCC#N 270004a_100000720768_100000211143 [0,1,0,0,0,0|2,0,1]=4 8530 B13R1.555 Cc1ccccc1CNCCCF 207a_100015189416_100000211143 [0,1,0,0,0,0|2,0,0]=3 8531 B13R1.555 Cc1ccccc1CNCCCF 2230a_100015189416_100000211839 [0,1,0,0,0,0|2,0,0]=3 8532 B13R1.555 Cc1ccccc1CNCCCF 270004a_100015189416_100000211143 [0,1,0,0,0,0|2,0,0]=3 8533 B13R1.555 Cc1ccccc1CNCCCF 34a_100000174972_100011934791 [0,1,0,0,0,0|2,0,0]=3 8534 B13R1.555 Cc1ccccc1CNCCCF 34a_100015189416_100000211839 [0,1,0,0,0,0|2,0,0]=3 8535 B13R1.555 Cc1ccccc1CNCCCO 207a_100000182051_100000211143 [0,1,0,0,0,0|1,0,0]=2 8536 B13R1.555 Cc1ccccc1CNCCCO 270004a_100000182051_100000211143 [0,1,0,0,0,0|1,0,0]=2 8537 B13R1.555 Cc1ccccc1CNCCCO 34a_100000174972_100000230001 [0,1,0,0,0,0|1,0,0]=2 8538 B13R1.555 Cc1ccccc1COCCC#N 7a_100000698903_100000184422 [0,1,0,0,0,0|2,0,1]=4 8539 B13R1.555 Cc1ccccc1COCCCBr 34a_100011217188_100000211839 [0,1,0,0,0,0|2,0,0]=3 8540 B13R1.555 Cc1ccccc1COCCCCl 34a_100000230001_100000211839 [0,1,0,0,0,0|2,0,0]=3 8541 B13R1.555 Cc1ccccc1COCCCF 34a_100000698903_100011934791 [0,1,0,0,0,0|2,0,0]=3 8542 B13R1.555 Cc1ccccc1COCCCF 34a_100000759539_100000211839 [0,1,0,0,0,0|2,0,0]=3 8543 B13R1.555 Cc1ccccc1COCCCF 7a_100000698903_100011934791 [0,1,0,0,0,0|2,0,0]=3 8544 B13R1.555 Cc1ccccc1COCCCN 34a_100000182051_100000211839 [0,1,0,0,0,0|2,0,0]=3 8545 B13R1.555 Cc1ccccc1COCCCO 34a_100000698903_100000230001 [0,1,0,0,0,0|1,0,0]=2 8546 B13R1.555 Cc1ccccc1COCCCO 7a_100000698903_100011215043 [0,1,0,0,0,0|1,0,0]=2 8547 B13R1.555 Cc1ccccc1COCCON 34a_100000700252_100000211839 [0,1,0,0,0,0|3,0,0]=4 8548 B13R1.555 Cc1ccccc1CSCCC#N 62a_100000211839_100011215226 [0,1,0,0,0,0|2,0,1]=4 8549 B13R1.555 Cc1ccccc1CSCCC#N 62a_100011215226_100000211839 [0,1,0,0,0,0|2,0,1]=4 8550 B13R1.555 Cc1ccccc1CSCCCF 62a_100000211839_100011934791 [0,1,0,0,0,0|2,0,0]=3 8551 B13R1.555 Cc1ccccc1CSCCCF 62a_100011934791_100000211839 [0,1,0,0,0,0|2,0,0]=3 8552 B13R1.555 Cc1ccccc1CSCCCO 62a_100000211839_100011215043 [0,1,0,0,0,0|1,0,0]=2 8553 B13R1.555 Cc1ccccc1CSCCCO 62a_100011215043_100000211839 [0,1,0,0,0,0|1,0,0]=2 8554 B13R1.555 Cc1ccccc1CSCCN[13CH3] 2230a_200000189569_200025704644 [0,1,0,0,0,0|3,0,0]=4 8555 B13R1.555 Cc1ccccc1CSCCN[13CH3] 34a_200000189569_200025704644 [0,1,0,0,0,0|3,0,0]=4 8556 B13R1.555 Cc1ccccc1CSCCN[13CH3] 7a_200000189569_200025704644 [0,1,0,0,0,0|3,0,0]=4 8557 B13R1.555 Cc1ccccc1NCC#CCO 34a_100015192222_200000047223 [0,1,0,0,0,0|1,0,2]=4 8558 B13R1.555 Cc1ccccc1NCCCCF 34a_100015192222_100000729493 [0,1,0,0,0,0|2,0,0]=3 8559 B13R1.555 Cc1ccccc1NCCCCO 34a_100015192222_100011216708 [0,1,0,0,0,0|1,0,0]=2 8560 B13R1.555 Cc1ccccc1NCCOCF 34a_100011233185_100015361967 [0,1,0,0,0,0|3,0,0]=4 8561 B13R1.555 Cc1ccccc1OCC#CCO 34a_100000210338_200000047223 [0,1,0,0,0,0|1,0,2]=4 8562 B13R1.555 Cc1ccccc1OCC#CCO 7a_100000210338_200000047223 [0,1,0,0,0,0|1,0,2]=4 8563 B13R1.555 Cc1ccccc1OCCCC#N 7a_100000210338_100000687738 [0,1,0,0,0,0|2,0,1]=4 8564 B13R1.555 Cc1ccccc1OCCCC=O 7a_100000210338_200011292268 [0,1,0,0,0,0|1,0,2]=4 8565 B13R1.555 Cc1ccccc1OCCCCF 34a_100000210338_100000729493 [0,1,0,0,0,0|2,0,0]=3 8566 B13R1.555 Cc1ccccc1OCCCCF 7a_100000210338_100000729493 [0,1,0,0,0,0|2,0,0]=3 8567 B13R1.555 Cc1ccccc1OCCCCO 34a_100000210338_100011216708 [0,1,0,0,0,0|1,0,0]=2 8568 B13R1.555 Cc1ccccc1OCCCCO 7a_100000210338_100000210776 [0,1,0,0,0,0|1,0,0]=2 8569 B13R1.555 Cc1ccccc1OCCCN[13CH3] 2230a_106633784460_200025704644 [0,1,0,0,0,0|3,0,0]=4 8570 B13R1.555 Cc1ccccc1OCCCN[13CH3] 34a_106633784460_200025704644 [0,1,0,0,0,0|3,0,0]=4 8571 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_100000742659_200025704644 [0,1,0,0,0,0|3,0,0]=4 8572 B13R1.555 Cc1ccccc1OCCCS[13CH3] 62a_200025704644_100000742659 [0,1,0,0,0,0|3,0,0]=4 8573 B13R1.555 Cc1ccccc1OCCNCF 34a_100000743344_100015361967 [0,1,0,0,0,0|3,0,0]=4 8574 B13R1.555 Cc1ccccc1OCCSCF 62a_100000184434_100015361967 [0,1,0,0,0,0|3,0,0]=4 8575 B13R1.555 Cc1ccccc1OCCSCF 62a_100015361967_100000184434 [0,1,0,0,0,0|3,0,0]=4 8576 B13R1.555 Cc1ccccc1SCC#CCO 62a_100000210755_200000047223 [0,1,0,0,0,0|1,0,2]=4 8577 B13R1.555 Cc1ccccc1SCC#CCO 62a_200000047223_100000210755 [0,1,0,0,0,0|1,0,2]=4 8578 B13R1.555 Cc1ccccc1SCCCC#N 62a_100000210755_100000687738 [0,1,0,0,0,0|2,0,1]=4 8579 B13R1.555 Cc1ccccc1SCCCC#N 62a_100000687738_100000210755 [0,1,0,0,0,0|2,0,1]=4 8580 B13R1.555 Cc1ccccc1SCCCC=O 62a_100000210755_200011292268 [0,1,0,0,0,0|1,0,2]=4 8581 B13R1.555 Cc1ccccc1SCCCC=O 62a_200011292268_100000210755 [0,1,0,0,0,0|1,0,2]=4 8582 B13R1.555 Cc1ccccc1SCCCCF 62a_100000210755_100000729493 [0,1,0,0,0,0|2,0,0]=3 8583 B13R1.555 Cc1ccccc1SCCCCF 62a_100000729493_100000210755 [0,1,0,0,0,0|2,0,0]=3 8584 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210755_100000210776 [0,1,0,0,0,0|1,0,0]=2 8585 B13R1.555 Cc1ccccc1SCCCCO 62a_100000210776_100000210755 [0,1,0,0,0,0|1,0,0]=2 8586 B13R1.555 Cc1cccnc1CCOCCF 34a_100011997706_100011217306 [0,1,0,0,0,0|3,0,0]=4 8587 B13R1.555 Cc1cccnc1CCOCCF 7a_100011997706_100011217306 [0,1,0,0,0,0|3,0,0]=4 8588 B13R1.555 Cc1cccnc1CCOCCO 34a_100011997706_100000211926 [0,1,0,0,0,0|2,0,0]=3 8589 B13R1.555 Cc1cccnc1CCOCCO 7a_100011997706_100000211926 [0,1,0,0,0,0|2,0,0]=3 8590 B13R1.555 Cc1cccnc1CNCCCF 207a_100015189416_100000698913 [0,1,0,0,0,0|3,0,0]=4 8591 B13R1.555 Cc1cccnc1CNCCCF 2230a_100015189416_100000696600 [0,1,0,0,0,0|3,0,0]=4 8592 B13R1.555 Cc1cccnc1CNCCCF 270004a_100015189416_100000698913 [0,1,0,0,0,0|3,0,0]=4 8593 B13R1.555 Cc1cccnc1CNCCCF 34a_100011223789_100011934791 [0,1,0,0,0,0|3,0,0]=4 8594 B13R1.555 Cc1cccnc1CNCCCF 34a_100015189416_100000696600 [0,1,0,0,0,0|3,0,0]=4 8595 B13R1.555 Cc1cccnc1CNCCCO 207a_100000182051_100000698913 [0,1,0,0,0,0|2,0,0]=3 8596 B13R1.555 Cc1cccnc1CNCCCO 270004a_100000182051_100000698913 [0,1,0,0,0,0|2,0,0]=3 8597 B13R1.555 Cc1cccnc1CNCCCO 34a_100011223789_100000230001 [0,1,0,0,0,0|2,0,0]=3 8598 B13R1.555 Cc1cccnc1COCCCBr 34a_100011217188_100000696600 [0,1,0,0,0,0|3,0,0]=4 8599 B13R1.555 Cc1cccnc1COCCCCl 34a_100000230001_100000696600 [0,1,0,0,0,0|3,0,0]=4 8600 B13R1.555 Cc1cccnc1COCCCF 34a_100000698912_100011934791 [0,1,0,0,0,0|3,0,0]=4 8601 B13R1.555 Cc1cccnc1COCCCF 34a_100000759539_100000696600 [0,1,0,0,0,0|3,0,0]=4 8602 B13R1.555 Cc1cccnc1COCCCN 34a_100000182051_100000696600 [0,1,0,0,0,0|3,0,0]=4 8603 B13R1.555 Cc1cccnc1COCCCO 34a_100000698912_100000230001 [0,1,0,0,0,0|2,0,0]=3 8604 B13R1.555 Cc1cccnc1CSCCCF 62a_100000696600_100011934791 [0,1,0,0,0,0|3,0,0]=4 8605 B13R1.555 Cc1cccnc1CSCCCF 62a_100011934791_100000696600 [0,1,0,0,0,0|3,0,0]=4 8606 B13R1.555 Cc1cccnc1CSCCCO 62a_100000696600_100011215043 [0,1,0,0,0,0|2,0,0]=3 8607 B13R1.555 Cc1cccnc1CSCCCO 62a_100011215043_100000696600 [0,1,0,0,0,0|2,0,0]=3 8608 B13R1.555 Cc1cccnc1SCCCCF 62a_100000729493_100000751373 [0,1,0,0,0,0|3,0,0]=4 8609 B13R1.555 Cc1cccnc1SCCCCF 62a_100000751373_100000729493 [0,1,0,0,0,0|3,0,0]=4 8610 B13R1.555 Cc1cccnc1SCCCCO 62a_100000210776_100000751373 [0,1,0,0,0,0|2,0,0]=3 8611 B13R1.555 Cc1cccnc1SCCCCO 62a_100000751373_100000210776 [0,1,0,0,0,0|2,0,0]=3 8612 B13R1.555 Cc1ccncc1CNCCCF 207a_100015189416_100000685662 [0,1,0,0,0,0|3,0,0]=4 8613 B13R1.555 Cc1ccncc1CNCCCF 2230a_100015189416_100000690890 [0,1,0,0,0,0|3,0,0]=4 8614 B13R1.555 Cc1ccncc1CNCCCF 270004a_100015189416_100000685662 [0,1,0,0,0,0|3,0,0]=4 8615 B13R1.555 Cc1ccncc1CNCCCF 34a_100015189416_100000690890 [0,1,0,0,0,0|3,0,0]=4 8616 B13R1.555 Cc1ccncc1CNCCCO 207a_100000182051_100000685662 [0,1,0,0,0,0|2,0,0]=3 8617 B13R1.555 Cc1ccncc1CNCCCO 270004a_100000182051_100000685662 [0,1,0,0,0,0|2,0,0]=3 8618 B13R1.555 Cc1ccncc1COCCCBr 34a_100011217188_100000690890 [0,1,0,0,0,0|3,0,0]=4 8619 B13R1.555 Cc1ccncc1COCCCCl 34a_100000230001_100000690890 [0,1,0,0,0,0|3,0,0]=4 8620 B13R1.555 Cc1ccncc1COCCCF 34a_100000759539_100000690890 [0,1,0,0,0,0|3,0,0]=4 8621 B13R1.555 Cc1ccncc1COCCCF 34a_100011996381_100011934791 [0,1,0,0,0,0|3,0,0]=4 8622 B13R1.555 Cc1ccncc1COCCCN 34a_100000182051_100000690890 [0,1,0,0,0,0|3,0,0]=4 8623 B13R1.555 Cc1ccncc1COCCCO 34a_100011996381_100000230001 [0,1,0,0,0,0|2,0,0]=3 8624 B13R1.555 Cc1ccncc1CSCCCF 62a_100000690890_100011934791 [0,1,0,0,0,0|3,0,0]=4 8625 B13R1.555 Cc1ccncc1CSCCCF 62a_100011934791_100000690890 [0,1,0,0,0,0|3,0,0]=4 8626 B13R1.555 Cc1ccncc1CSCCCO 62a_100000690890_100011215043 [0,1,0,0,0,0|2,0,0]=3 8627 B13R1.555 Cc1ccncc1CSCCCO 62a_100011215043_100000690890 [0,1,0,0,0,0|2,0,0]=3 8628 B13R1.555 Cc1ccncc1OCCCCF 34a_100011997053_100000729493 [0,1,0,0,0,0|3,0,0]=4 8629 B13R1.555 Cc1ccncc1OCCCCF 7a_100011997053_100000729493 [0,1,0,0,0,0|3,0,0]=4 8630 B13R1.555 Cc1ccncc1OCCCCO 34a_100011997053_100011216708 [0,1,0,0,0,0|2,0,0]=3 8631 B13R1.555 Cc1ccncc1OCCCCO 7a_100011997053_100000210776 [0,1,0,0,0,0|2,0,0]=3 8632 B13R1.555 Cc1ccncc1SCCCCF 62a_100000729493_100000761580 [0,1,0,0,0,0|3,0,0]=4 8633 B13R1.555 Cc1ccncc1SCCCCF 62a_100000761580_100000729493 [0,1,0,0,0,0|3,0,0]=4 8634 B13R1.555 Cc1ccncc1SCCCCO 62a_100000210776_100000761580 [0,1,0,0,0,0|2,0,0]=3 8635 B13R1.555 Cc1ccncc1SCCCCO 62a_100000761580_100000210776 [0,1,0,0,0,0|2,0,0]=3 8636 B13R1.555 Cc1ccnnc1NCCCCO 27a_100000750430_100000089043 [0,1,0,0,0,0|3,0,0]=4 8637 B13R1.555 Cc1ccnnc1SCCCCO 62a_100000210776_100000089043 [0,1,0,0,0,0|3,0,0]=4 8638 B13R1.555 Cc1cnccc1CNCCCF 2230a_100015189416_100020672808 [0,1,0,0,0,0|3,0,0]=4 8639 B13R1.555 Cc1cnccc1CNCCCF 34a_100015189416_100020672809 [0,1,0,0,0,0|3,0,0]=4 8640 B13R1.555 Cc1cnccc1COCCCBr 34a_100011217188_100020672809 [0,1,0,0,0,0|3,0,0]=4 8641 B13R1.555 Cc1cnccc1COCCCCl 34a_100000230001_100020672809 [0,1,0,0,0,0|3,0,0]=4 8642 B13R1.555 Cc1cnccc1COCCCF 34a_100000759539_100020672809 [0,1,0,0,0,0|3,0,0]=4 8643 B13R1.555 Cc1cnccc1COCCCF 34a_100011997032_100011934791 [0,1,0,0,0,0|3,0,0]=4 8644 B13R1.555 Cc1cnccc1COCCCN 34a_100000182051_100020672809 [0,1,0,0,0,0|3,0,0]=4 8645 B13R1.555 Cc1cnccc1COCCCO 34a_100011997032_100000230001 [0,1,0,0,0,0|2,0,0]=3 8646 B13R1.555 Cc1cnccc1CSCCCF 62a_100011934791_100020672808 [0,1,0,0,0,0|3,0,0]=4 8647 B13R1.555 Cc1cnccc1CSCCCF 62a_100020672808_100011934791 [0,1,0,0,0,0|3,0,0]=4 8648 B13R1.555 Cc1cnccc1CSCCCO 62a_100011215043_100020672808 [0,1,0,0,0,0|2,0,0]=3 8649 B13R1.555 Cc1cnccc1CSCCCO 62a_100020672808_100011215043 [0,1,0,0,0,0|2,0,0]=3 8650 B13R1.555 Cc1cnccc1NCCCCO 27a_100000750430_100000765111 [0,1,0,0,0,0|2,0,0]=3 8651 B13R1.555 Cc1cnccc1OCCCCF 34a_100000694293_100000729493 [0,1,0,0,0,0|3,0,0]=4 8652 B13R1.555 Cc1cnccc1OCCCCO 34a_100000694293_100011216708 [0,1,0,0,0,0|2,0,0]=3 8653 B13R1.555 Cc1cnccc1SCCCCF 62a_100000729493_100000765111 [0,1,0,0,0,0|3,0,0]=4 8654 B13R1.555 Cc1cnccc1SCCCCF 62a_100000765111_100000729493 [0,1,0,0,0,0|3,0,0]=4 8655 B13R1.555 Cc1cnccc1SCCCCO 62a_100000210776_100000765111 [0,1,0,0,0,0|2,0,0]=3 8656 B13R1.555 Cc1cnccc1SCCCCO 62a_100000765111_100000210776 [0,1,0,0,0,0|2,0,0]=3 8657 B13R1.555 Cc1cncnc1NCCCCO 27a_100000750430_100011998708 [0,1,0,0,0,0|3,0,0]=4 8658 B13R1.555 Cc1cncnc1SCCCCO 62a_100000210776_100011998708 [0,1,0,0,0,0|3,0,0]=4 8659 B13R1.555 Cc1cncnc1SCCCCO 62a_100011998708_100000210776 [0,1,0,0,0,0|3,0,0]=4 8660 B13R1.555 Cc1ncccc1CNCCCF 207a_100015189416_100000751968 [0,1,0,0,0,0|3,0,0]=4 8661 B13R1.555 Cc1ncccc1CNCCCF 2230a_100015189416_100000732876 [0,1,0,0,0,0|3,0,0]=4 8662 B13R1.555 Cc1ncccc1CNCCCF 270004a_100015189416_100000751968 [0,1,0,0,0,0|3,0,0]=4 8663 B13R1.555 Cc1ncccc1CNCCCF 34a_100015189416_100000732876 [0,1,0,0,0,0|3,0,0]=4 8664 B13R1.555 Cc1ncccc1CNCCCO 207a_100000182051_100000751968 [0,1,0,0,0,0|2,0,0]=3 8665 B13R1.555 Cc1ncccc1CNCCCO 270004a_100000182051_100000751968 [0,1,0,0,0,0|2,0,0]=3 8666 B13R1.555 Cc1ncccc1COCCCBr 34a_100011217188_100000732876 [0,1,0,0,0,0|3,0,0]=4 8667 B13R1.555 Cc1ncccc1COCCCCl 34a_100000230001_100000732876 [0,1,0,0,0,0|3,0,0]=4 8668 B13R1.555 Cc1ncccc1COCCCF 34a_100000729262_100011934791 [0,1,0,0,0,0|3,0,0]=4 8669 B13R1.555 Cc1ncccc1COCCCF 34a_100000759539_100000732876 [0,1,0,0,0,0|3,0,0]=4 8670 B13R1.555 Cc1ncccc1COCCCF 7a_100000729262_100011934791 [0,1,0,0,0,0|3,0,0]=4 8671 B13R1.555 Cc1ncccc1COCCCN 34a_100000182051_100000732876 [0,1,0,0,0,0|3,0,0]=4 8672 B13R1.555 Cc1ncccc1COCCCO 34a_100000729262_100000230001 [0,1,0,0,0,0|2,0,0]=3 8673 B13R1.555 Cc1ncccc1COCCCO 7a_100000729262_100011215043 [0,1,0,0,0,0|2,0,0]=3 8674 B13R1.555 Cc1ncccc1CSCCCF 62a_100000732876_100011934791 [0,1,0,0,0,0|3,0,0]=4 8675 B13R1.555 Cc1ncccc1CSCCCF 62a_100011934791_100000732876 [0,1,0,0,0,0|3,0,0]=4 8676 B13R1.555 Cc1ncccc1CSCCCO 62a_100000732876_100011215043 [0,1,0,0,0,0|2,0,0]=3 8677 B13R1.555 Cc1ncccc1CSCCCO 62a_100011215043_100000732876 [0,1,0,0,0,0|2,0,0]=3 8678 B13R1.555 Cc1ncccc1OCCCCF 34a_100000745507_100000729493 [0,1,0,0,0,0|3,0,0]=4 8679 B13R1.555 Cc1ncccc1OCCCCF 7a_100000745507_100000729493 [0,1,0,0,0,0|3,0,0]=4 8680 B13R1.555 Cc1ncccc1OCCCCO 34a_100000745507_100011216708 [0,1,0,0,0,0|2,0,0]=3 8681 B13R1.555 Cc1ncccc1OCCCCO 7a_100000745507_100000210776 [0,1,0,0,0,0|2,0,0]=3 8682 B13R1.555 Cc1ncccc1SCCCCF 62a_100000729493_100000751574 [0,1,0,0,0,0|3,0,0]=4 8683 B13R1.555 Cc1ncccc1SCCCCF 62a_100000751574_100000729493 [0,1,0,0,0,0|3,0,0]=4 8684 B13R1.555 Cc1ncccc1SCCCCO 62a_100000210776_100000751574 [0,1,0,0,0,0|2,0,0]=3 8685 B13R1.555 Cc1ncccc1SCCCCO 62a_100000751574_100000210776 [0,1,0,0,0,0|2,0,0]=3 8686 B13R1.555 Cc1nccnc1CNCCCO 2230a_100020641712_100000230001 [0,1,0,0,0,0|3,0,0]=4 8687 B13R1.555 Cc1nccnc1CNCCCO 270004a_100000182051_100000050726 [0,1,0,0,0,0|3,0,0]=4 8688 B13R1.555 Cc1nccnc1CNCCCO 34a_100020641712_100000230001 [0,1,0,0,0,0|3,0,0]=4 8689 B13R1.555 Cc1nccnc1NCCCCO 27a_100000750430_100011999405 [0,1,0,0,0,0|3,0,0]=4 8690 B13R1.555 Cc1nccnc1OCCCCO 34a_100000766352_100011216708 [0,1,0,0,0,0|3,0,0]=4 8691 B13R1.555 Cc1nccnc1SCCCCO 62a_100000210776_100011999405 [0,1,0,0,0,0|3,0,0]=4 8692 B13R1.555 Cc1nccnc1SCCCCO 62a_100011999405_100000210776 [0,1,0,0,0,0|3,0,0]=4 8693 B13R1.555 Cc1ncncc1SCCCCO 62a_100000210776_100009819671 [0,1,0,0,0,0|3,0,0]=4 8694 B13R1.555 Cc1ncncc1SCCCCO 62a_100009819671_100000210776 [0,1,0,0,0,0|3,0,0]=4 8695 B13R1.555 ClCCCOCc1ccccc1Br 34a_100000230001_100000184730 [0,1,0,0,0,0|2,0,0]=3 8696 B13R1.555 ClCCCOCc1ccccc1Cl 34a_100000230001_100000187162 [0,1,0,0,0,0|2,0,0]=3 8697 B13R1.555 ClCCCOCc1ccccc1I 34a_100000230001_100011215278 [0,1,0,0,0,0|2,0,0]=3 8698 B13R1.555 ClCCCOCc1cccnc1Br 34a_100000230001_100010140945 [0,1,0,0,0,0|3,0,0]=4 8699 B13R1.555 ClCCCOCc1cccnc1Cl 34a_100000230001_100000045678 [0,1,0,0,0,0|3,0,0]=4 8700 B13R1.555 ClCCCOCc1ncccc1Br 34a_100000230001_100025702911 [0,1,0,0,0,0|3,0,0]=4 8701 B13R1.555 Clc1ccccc1CCOCCBr 34a_100000211926_100011713703 [0,1,0,0,0,0|2,0,0]=3 8702 B13R1.555 Clc1ccccc1COCCCBr 34a_100011217188_100000187162 [0,1,0,0,0,0|2,0,0]=3 8703 B13R1.555 Clc1ncccc1COCCCBr 34a_100011217188_100000045678 [0,1,0,0,0,0|3,0,0]=4 8704 B13R1.555 FCCCCNc1ccccc1Br 34a_100000210017_100000729493 [0,1,0,0,0,0|2,0,0]=3 8705 B13R1.555 FCCCCNc1ccccc1Cl 34a_100000185783_100000729493 [0,1,0,0,0,0|2,0,0]=3 8706 B13R1.555 FCCCCNc1ccccc1F 34a_100000210422_100000729493 [0,1,0,0,0,0|2,0,0]=3 8707 B13R1.555 FCCCCNc1ccccc1I 34a_100000210053_100000729493 [0,1,0,0,0,0|2,0,0]=3 8708 B13R1.555 FCCCCOc1ccccc1Br 34a_100000181306_100000729493 [0,1,0,0,0,0|2,0,0]=3 8709 B13R1.555 FCCCCOc1ccccc1Br 7a_100000181306_100000729493 [0,1,0,0,0,0|2,0,0]=3 8710 B13R1.555 FCCCCOc1ccccc1Cl 34a_100000210172_100000729493 [0,1,0,0,0,0|2,0,0]=3 8711 B13R1.555 FCCCCOc1ccccc1Cl 7a_100000210172_100000729493 [0,1,0,0,0,0|2,0,0]=3 8712 B13R1.555 FCCCCOc1ccccc1F 34a_100000210171_100000729493 [0,1,0,0,0,0|2,0,0]=3 8713 B13R1.555 FCCCCOc1ccccc1F 7a_100000210171_100000729493 [0,1,0,0,0,0|2,0,0]=3 8714 B13R1.555 FCCCCOc1ccccc1I 34a_100000739446_100000729493 [0,1,0,0,0,0|2,0,0]=3 8715 B13R1.555 FCCCCOc1ccccc1I 7a_100000739446_100000729493 [0,1,0,0,0,0|2,0,0]=3 8716 B13R1.555 FCCCCOc1cccnc1Br 34a_100000744436_100000729493 [0,1,0,0,0,0|3,0,0]=4 8717 B13R1.555 FCCCCOc1cccnc1Br 7a_100000744436_100000729493 [0,1,0,0,0,0|3,0,0]=4 8718 B13R1.555 FCCCCOc1cccnc1Cl 34a_100000757616_100000729493 [0,1,0,0,0,0|3,0,0]=4 8719 B13R1.555 FCCCCOc1cccnc1Cl 7a_100000757616_100000729493 [0,1,0,0,0,0|3,0,0]=4 8720 B13R1.555 FCCCCOc1cccnc1F 34a_100000061740_100000729493 [0,1,0,0,0,0|3,0,0]=4 8721 B13R1.555 FCCCCOc1cccnc1F 7a_100000061740_100000729493 [0,1,0,0,0,0|3,0,0]=4 8722 B13R1.555 FCCCCOc1cccnc1I 34a_100000034122_100000729493 [0,1,0,0,0,0|3,0,0]=4 8723 B13R1.555 FCCCCOc1cccnc1I 7a_100000034122_100000729493 [0,1,0,0,0,0|3,0,0]=4 8724 B13R1.555 FCCCCOc1ccncc1Br 34a_100011996408_100000729493 [0,1,0,0,0,0|3,0,0]=4 8725 B13R1.555 FCCCCOc1ccncc1Cl 34a_100011997054_100000729493 [0,1,0,0,0,0|3,0,0]=4 8726 B13R1.555 FCCCCOc1ccncc1F 34a_200000081243_100000729493 [0,1,0,0,0,0|3,0,0]=4 8727 B13R1.555 FCCCCOc1cnccc1Cl 34a_100011996695_100000729493 [0,1,0,0,0,0|3,0,0]=4 8728 B13R1.555 FCCCCOc1cnccc1I 34a_100000050107_100000729493 [0,1,0,0,0,0|3,0,0]=4 8729 B13R1.555 FCCCCOc1ncccc1Cl 34a_100011290957_100000729493 [0,1,0,0,0,0|3,0,0]=4 8730 B13R1.555 FCCCCOc1ncccc1F 34a_100011219419_100000729493 [0,1,0,0,0,0|3,0,0]=4 8731 B13R1.555 FCCCCSc1c[nH]ccc1=S 62a_100000729493_200012280681 [0,1,0,0,0,0|3,0,0]=4 8732 B13R1.555 FCCCCSc1c[nH]ccc1=S 62a_200012280681_100000729493 [0,1,0,0,0,0|3,0,0]=4 8733 B13R1.555 FCCCCSc1ccccc1Br 62a_100000695589_100000729493 [0,1,0,0,0,0|2,0,0]=3 8734 B13R1.555 FCCCCSc1ccccc1Br 62a_100000729493_100000695589 [0,1,0,0,0,0|2,0,0]=3 8735 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000729493_100000764095 [0,1,0,0,0,0|2,0,0]=3 8736 B13R1.555 FCCCCSc1ccccc1Cl 62a_100000764095_100000729493 [0,1,0,0,0,0|2,0,0]=3 8737 B13R1.555 FCCCCSc1ccccc1F 62a_100000729493_100011215700 [0,1,0,0,0,0|2,0,0]=3 8738 B13R1.555 FCCCCSc1ccccc1F 62a_100011215700_100000729493 [0,1,0,0,0,0|2,0,0]=3 8739 B13R1.555 FCCCCSc1cccnc1Br 62a_100000729493_100010202626 [0,1,0,0,0,0|3,0,0]=4 8740 B13R1.555 FCCCCSc1cccnc1Br 62a_100010202626_100000729493 [0,1,0,0,0,0|3,0,0]=4 8741 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000036424_100000729493 [0,1,0,0,0,0|3,0,0]=4 8742 B13R1.555 FCCCCSc1cccnc1Cl 62a_100000729493_100000036424 [0,1,0,0,0,0|3,0,0]=4 8743 B13R1.555 FCCCCSc1cccnc1F 62a_100000729493_100009816115 [0,1,0,0,0,0|3,0,0]=4 8744 B13R1.555 FCCCCSc1cccnc1F 62a_100009816115_100000729493 [0,1,0,0,0,0|3,0,0]=4 8745 B13R1.555 FCCCCSc1ccncc1Br 62a_100000726257_100000729493 [0,1,0,0,0,0|3,0,0]=4 8746 B13R1.555 FCCCCSc1ccncc1Br 62a_100000729493_100000726257 [0,1,0,0,0,0|3,0,0]=4 8747 B13R1.555 FCCCCSc1ccncc1Cl 62a_100000708259_100000729493 [0,1,0,0,0,0|3,0,0]=4 8748 B13R1.555 FCCCCSc1ccncc1Cl 62a_100000729493_100000708259 [0,1,0,0,0,0|3,0,0]=4 8749 B13R1.555 FCCCCSc1ccncc1F 62a_100000047030_100000729493 [0,1,0,0,0,0|3,0,0]=4 8750 B13R1.555 FCCCCSc1ccncc1F 62a_100000729493_100000047030 [0,1,0,0,0,0|3,0,0]=4 8751 B13R1.555 FCCCCSc1cnccc1Br 62a_100000729493_100010138639 [0,1,0,0,0,0|3,0,0]=4 8752 B13R1.555 FCCCCSc1cnccc1Br 62a_100010138639_100000729493 [0,1,0,0,0,0|3,0,0]=4 8753 B13R1.555 FCCCCSc1cnccc1Cl 62a_100000729493_100009995489 [0,1,0,0,0,0|3,0,0]=4 8754 B13R1.555 FCCCCSc1cnccc1Cl 62a_100009995489_100000729493 [0,1,0,0,0,0|3,0,0]=4 8755 B13R1.555 FCCCCSc1cnccc1F 62a_100000729493_100009820683 [0,1,0,0,0,0|3,0,0]=4 8756 B13R1.555 FCCCCSc1cnccc1F 62a_100009820683_100000729493 [0,1,0,0,0,0|3,0,0]=4 8757 B13R1.555 FCCCCSc1ncccc1Br 62a_100000696092_100000729493 [0,1,0,0,0,0|3,0,0]=4 8758 B13R1.555 FCCCCSc1ncccc1Br 62a_100000729493_100000696092 [0,1,0,0,0,0|3,0,0]=4 8759 B13R1.555 FCCCCSc1ncccc1Cl 62a_100000729493_100011356963 [0,1,0,0,0,0|3,0,0]=4 8760 B13R1.555 FCCCCSc1ncccc1Cl 62a_100011356963_100000729493 [0,1,0,0,0,0|3,0,0]=4 8761 B13R1.555 FCCCCSc1ncccc1F 62a_100000685392_100000729493 [0,1,0,0,0,0|3,0,0]=4 8762 B13R1.555 FCCCCSc1ncccc1F 62a_100000729493_100000685392 [0,1,0,0,0,0|3,0,0]=4 8763 B13R1.555 FCCCNCc1ccccc1Br 207a_100015189416_100000211189 [0,1,0,0,0,0|2,0,0]=3 8764 B13R1.555 FCCCNCc1ccccc1Br 2230a_100000689332_100011934791 [0,1,0,0,0,0|2,0,0]=3 8765 B13R1.555 FCCCNCc1ccccc1Br 2230a_100015189416_100000184730 [0,1,0,0,0,0|2,0,0]=3 8766 B13R1.555 FCCCNCc1ccccc1Br 270004a_100015189416_100000211189 [0,1,0,0,0,0|2,0,0]=3 8767 B13R1.555 FCCCNCc1ccccc1Br 34a_100000689332_100011934791 [0,1,0,0,0,0|2,0,0]=3 8768 B13R1.555 FCCCNCc1ccccc1Br 34a_100015189416_100000184730 [0,1,0,0,0,0|2,0,0]=3 8769 B13R1.555 FCCCNCc1ccccc1Cl 207a_100015189416_100000210073 [0,1,0,0,0,0|2,0,0]=3 8770 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100000174879_100011934791 [0,1,0,0,0,0|2,0,0]=3 8771 B13R1.555 FCCCNCc1ccccc1Cl 2230a_100015189416_100000187162 [0,1,0,0,0,0|2,0,0]=3 8772 B13R1.555 FCCCNCc1ccccc1Cl 270004a_100015189416_100000210073 [0,1,0,0,0,0|2,0,0]=3 8773 B13R1.555 FCCCNCc1ccccc1Cl 34a_100000174879_100011934791 [0,1,0,0,0,0|2,0,0]=3 8774 B13R1.555 FCCCNCc1ccccc1Cl 34a_100015189416_100000187162 [0,1,0,0,0,0|2,0,0]=3 8775 B13R1.555 FCCCNCc1ccccc1F 207a_100015189416_100000210811 [0,1,0,0,0,0|2,0,0]=3 8776 B13R1.555 FCCCNCc1ccccc1F 2230a_100015189416_100000211605 [0,1,0,0,0,0|2,0,0]=3 8777 B13R1.555 FCCCNCc1ccccc1F 270004a_100015189416_100000210811 [0,1,0,0,0,0|2,0,0]=3 8778 B13R1.555 FCCCNCc1ccccc1F 34a_100000174869_100011934791 [0,1,0,0,0,0|2,0,0]=3 8779 B13R1.555 FCCCNCc1ccccc1F 34a_100015189416_100000211605 [0,1,0,0,0,0|2,0,0]=3 8780 B13R1.555 FCCCNCc1ccccc1I 207a_100015189416_100000010305 [0,1,0,0,0,0|2,0,0]=3 8781 B13R1.555 FCCCNCc1ccccc1I 2230a_100015189416_100011215278 [0,1,0,0,0,0|2,0,0]=3 8782 B13R1.555 FCCCNCc1ccccc1I 270004a_100015189416_100000010305 [0,1,0,0,0,0|2,0,0]=3 8783 B13R1.555 FCCCNCc1ccccc1I 34a_100015189416_100011215278 [0,1,0,0,0,0|2,0,0]=3 8784 B13R1.555 FCCCNCc1cccnc1Br 2230a_100009818023_100011934791 [0,1,0,0,0,0|3,0,0]=4 8785 B13R1.555 FCCCNCc1cccnc1Br 2230a_100015189416_100010140945 [0,1,0,0,0,0|3,0,0]=4 8786 B13R1.555 FCCCNCc1cccnc1Br 34a_100009818023_100011934791 [0,1,0,0,0,0|3,0,0]=4 8787 B13R1.555 FCCCNCc1cccnc1Br 34a_100015189416_100010140945 [0,1,0,0,0,0|3,0,0]=4 8788 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189234_100011934791 [0,1,0,0,0,0|3,0,0]=4 8789 B13R1.555 FCCCNCc1cccnc1Cl 2230a_100015189416_100000045678 [0,1,0,0,0,0|3,0,0]=4 8790 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189234_100011934791 [0,1,0,0,0,0|3,0,0]=4 8791 B13R1.555 FCCCNCc1cccnc1Cl 34a_100015189416_100000045678 [0,1,0,0,0,0|3,0,0]=4 8792 B13R1.555 FCCCNCc1cccnc1F 2230a_100015189416_100000099810 [0,1,0,0,0,0|3,0,0]=4 8793 B13R1.555 FCCCNCc1cccnc1F 34a_100000724633_100011934791 [0,1,0,0,0,0|3,0,0]=4 8794 B13R1.555 FCCCNCc1cccnc1F 34a_100015189416_100000099810 [0,1,0,0,0,0|3,0,0]=4 8795 B13R1.555 FCCCNCc1ccncc1Br 270004a_100015189416_100000755692 [0,1,0,0,0,0|3,0,0]=4 8796 B13R1.555 FCCCNCc1ccncc1Cl 207a_100015189416_100011934409 [0,1,0,0,0,0|3,0,0]=4 8797 B13R1.555 FCCCNCc1ccncc1Cl 2230a_100015189416_100000763264 [0,1,0,0,0,0|3,0,0]=4 8798 B13R1.555 FCCCNCc1ccncc1Cl 270004a_100015189416_100011934409 [0,1,0,0,0,0|3,0,0]=4 8799 B13R1.555 FCCCNCc1ccncc1F 34a_100011935246_100011934791 [0,1,0,0,0,0|3,0,0]=4 8800 B13R1.555 FCCCNCc1cnccc1Br 270004a_100015189416_100009816821 [0,1,0,0,0,0|3,0,0]=4 8801 B13R1.555 FCCCNCc1cnccc1Cl 270004a_100015189416_100000050567 [0,1,0,0,0,0|3,0,0]=4 8802 B13R1.555 FCCCNCc1ncccc1Br 207a_100015189416_100011934733 [0,1,0,0,0,0|3,0,0]=4 8803 B13R1.555 FCCCNCc1ncccc1Br 2230a_100015189416_100025702911 [0,1,0,0,0,0|3,0,0]=4 8804 B13R1.555 FCCCNCc1ncccc1Br 270004a_100015189416_100011934733 [0,1,0,0,0,0|3,0,0]=4 8805 B13R1.555 FCCCNCc1ncccc1Br 34a_100015189416_100025702911 [0,1,0,0,0,0|3,0,0]=4 8806 B13R1.555 FCCCNCc1ncccc1Cl 207a_100015189416_100012001307 [0,1,0,0,0,0|3,0,0]=4 8807 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189233_100011934791 [0,1,0,0,0,0|3,0,0]=4 8808 B13R1.555 FCCCNCc1ncccc1Cl 2230a_100015189416_100000099807 [0,1,0,0,0,0|3,0,0]=4 8809 B13R1.555 FCCCNCc1ncccc1Cl 270004a_100015189416_100012001307 [0,1,0,0,0,0|3,0,0]=4 8810 B13R1.555 FCCCNCc1ncccc1F 207a_100015189416_100011934734 [0,1,0,0,0,0|3,0,0]=4 8811 B13R1.555 FCCCNCc1ncccc1F 2230a_100015189416_100000104219 [0,1,0,0,0,0|3,0,0]=4 8812 B13R1.555 FCCCNCc1ncccc1F 270004a_100015189416_100011934734 [0,1,0,0,0,0|3,0,0]=4 8813 B13R1.555 FCCCNCc1ncccc1F 34a_100000690088_100011934791 [0,1,0,0,0,0|3,0,0]=4 8814 B13R1.555 FCCCNCc1ncccc1F 34a_100015189416_100000104219 [0,1,0,0,0,0|3,0,0]=4 8815 B13R1.555 FCCCOCc1ccccc1Br 34a_100000756307_100011934791 [0,1,0,0,0,0|2,0,0]=3 8816 B13R1.555 FCCCOCc1ccccc1Br 34a_100000759539_100000184730 [0,1,0,0,0,0|2,0,0]=3 8817 B13R1.555 FCCCOCc1ccccc1Br 7a_100000756307_100011934791 [0,1,0,0,0,0|2,0,0]=3 8818 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000210847_100011934791 [0,1,0,0,0,0|2,0,0]=3 8819 B13R1.555 FCCCOCc1ccccc1Cl 34a_100000759539_100000187162 [0,1,0,0,0,0|2,0,0]=3 8820 B13R1.555 FCCCOCc1ccccc1Cl 7a_100000210847_100011934791 [0,1,0,0,0,0|2,0,0]=3 8821 B13R1.555 FCCCOCc1ccccc1F 34a_100000211962_100011934791 [0,1,0,0,0,0|2,0,0]=3 8822 B13R1.555 FCCCOCc1ccccc1F 34a_100000759539_100000211605 [0,1,0,0,0,0|2,0,0]=3 8823 B13R1.555 FCCCOCc1ccccc1F 7a_100000211962_100011934791 [0,1,0,0,0,0|2,0,0]=3 8824 B13R1.555 FCCCOCc1ccccc1I 34a_100000187465_100011934791 [0,1,0,0,0,0|2,0,0]=3 8825 B13R1.555 FCCCOCc1ccccc1I 34a_100000759539_100011215278 [0,1,0,0,0,0|2,0,0]=3 8826 B13R1.555 FCCCOCc1ccccc1I 7a_100000187465_100011934791 [0,1,0,0,0,0|2,0,0]=3 8827 B13R1.555 FCCCOCc1cccnc1Br 34a_100000719692_100011934791 [0,1,0,0,0,0|3,0,0]=4 8828 B13R1.555 FCCCOCc1cccnc1Br 34a_100000759539_100010140945 [0,1,0,0,0,0|3,0,0]=4 8829 B13R1.555 FCCCOCc1cccnc1Br 7a_100000719692_100011934791 [0,1,0,0,0,0|3,0,0]=4 8830 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000748726_100011934791 [0,1,0,0,0,0|3,0,0]=4 8831 B13R1.555 FCCCOCc1cccnc1Cl 34a_100000759539_100000045678 [0,1,0,0,0,0|3,0,0]=4 8832 B13R1.555 FCCCOCc1cccnc1Cl 7a_100000748726_100011934791 [0,1,0,0,0,0|3,0,0]=4 8833 B13R1.555 FCCCOCc1cccnc1F 34a_100000079888_100011934791 [0,1,0,0,0,0|3,0,0]=4 8834 B13R1.555 FCCCOCc1cccnc1F 34a_100000759539_100000099810 [0,1,0,0,0,0|3,0,0]=4 8835 B13R1.555 FCCCOCc1cccnc1F 7a_100000079888_100011934791 [0,1,0,0,0,0|3,0,0]=4 8836 B13R1.555 FCCCOCc1ccncc1F 34a_100012172863_100011934791 [0,1,0,0,0,0|3,0,0]=4 8837 B13R1.555 FCCCOCc1cnccc1Cl 34a_100000117392_100011934791 [0,1,0,0,0,0|3,0,0]=4 8838 B13R1.555 FCCCOCc1ncccc1Br 34a_100000759539_100025702911 [0,1,0,0,0,0|3,0,0]=4 8839 B13R1.555 FCCCOCc1ncccc1Br 34a_100011996772_100011934791 [0,1,0,0,0,0|3,0,0]=4 8840 B13R1.555 FCCCOCc1ncccc1Cl 34a_100012002383_100011934791 [0,1,0,0,0,0|3,0,0]=4 8841 B13R1.555 FCCCOCc1ncccc1F 34a_100000759539_100000104219 [0,1,0,0,0,0|3,0,0]=4 8842 B13R1.555 FCCCOCc1ncccc1F 34a_100011934865_100011934791 [0,1,0,0,0,0|3,0,0]=4 8843 B13R1.555 FCCCSCc1ccccc1Br 62a_100000184730_100011934791 [0,1,0,0,0,0|2,0,0]=3 8844 B13R1.555 FCCCSCc1ccccc1Br 62a_100011934791_100000184730 [0,1,0,0,0,0|2,0,0]=3 8845 B13R1.555 FCCCSCc1ccccc1Cl 62a_100000187162_100011934791 [0,1,0,0,0,0|2,0,0]=3 8846 B13R1.555 FCCCSCc1ccccc1Cl 62a_100011934791_100000187162 [0,1,0,0,0,0|2,0,0]=3 8847 B13R1.555 FCCCSCc1ccccc1F 62a_100000211605_100011934791 [0,1,0,0,0,0|2,0,0]=3 8848 B13R1.555 FCCCSCc1ccccc1F 62a_100011934791_100000211605 [0,1,0,0,0,0|2,0,0]=3 8849 B13R1.555 FCCCSCc1ccccc1I 62a_100011216222_100011934791 [0,1,0,0,0,0|2,0,0]=3 8850 B13R1.555 FCCCSCc1ccccc1I 62a_100011934791_100011216222 [0,1,0,0,0,0|2,0,0]=3 8851 B13R1.555 FCCCSCc1cccnc1Br 62a_100010140945_100011934791 [0,1,0,0,0,0|3,0,0]=4 8852 B13R1.555 FCCCSCc1cccnc1Br 62a_100011934791_100010140945 [0,1,0,0,0,0|3,0,0]=4 8853 B13R1.555 FCCCSCc1cccnc1Cl 62a_100000045678_100011934791 [0,1,0,0,0,0|3,0,0]=4 8854 B13R1.555 FCCCSCc1cccnc1Cl 62a_100011934791_100000045678 [0,1,0,0,0,0|3,0,0]=4 8855 B13R1.555 FCCCSCc1cccnc1F 62a_100000099810_100011934791 [0,1,0,0,0,0|3,0,0]=4 8856 B13R1.555 FCCCSCc1cccnc1F 62a_100011934791_100000099810 [0,1,0,0,0,0|3,0,0]=4 8857 B13R1.555 FCCCSCc1ccncc1Cl 62a_100000763264_100011934791 [0,1,0,0,0,0|3,0,0]=4 8858 B13R1.555 FCCCSCc1ccncc1Cl 62a_100011934791_100000763264 [0,1,0,0,0,0|3,0,0]=4 8859 B13R1.555 FCCCSCc1ncccc1Br 62a_100011934791_100025702911 [0,1,0,0,0,0|3,0,0]=4 8860 B13R1.555 FCCCSCc1ncccc1Br 62a_100025702911_100011934791 [0,1,0,0,0,0|3,0,0]=4 8861 B13R1.555 FCCCSCc1ncccc1Cl 62a_100000099807_100011934791 [0,1,0,0,0,0|3,0,0]=4 8862 B13R1.555 FCCCSCc1ncccc1Cl 62a_100011934791_100000099807 [0,1,0,0,0,0|3,0,0]=4 8863 B13R1.555 FCCCSCc1ncccc1F 62a_100000104219_100011934791 [0,1,0,0,0,0|3,0,0]=4 8864 B13R1.555 FCCCSCc1ncccc1F 62a_100011934791_100000104219 [0,1,0,0,0,0|3,0,0]=4 8865 B13R1.555 FCCNCCc1ccccc1Br 2230a_100000747383_100011217306 [0,1,0,0,0,0|2,0,0]=3 8866 B13R1.555 FCCNCCc1ccccc1Br 34a_100000724931_100012161201 [0,1,0,0,0,0|2,0,0]=3 8867 B13R1.555 FCCNCCc1ccccc1Br 34a_100000747383_100011217306 [0,1,0,0,0,0|2,0,0]=3 8868 B13R1.555 FCCNCCc1ccccc1Cl 2230a_100011207228_100011217306 [0,1,0,0,0,0|2,0,0]=3 8869 B13R1.555 FCCNCCc1ccccc1Cl 34a_100000724931_100011713703 [0,1,0,0,0,0|2,0,0]=3 8870 B13R1.555 FCCNCCc1ccccc1Cl 34a_100011207228_100011217306 [0,1,0,0,0,0|2,0,0]=3 8871 B13R1.555 FCCNCCc1ccccc1F 2230a_100000185272_100011217306 [0,1,0,0,0,0|2,0,0]=3 8872 B13R1.555 FCCNCCc1ccccc1F 34a_100000185272_100011217306 [0,1,0,0,0,0|2,0,0]=3 8873 B13R1.555 FCCNCCc1ccccc1F 34a_100000724931_100000720011 [0,1,0,0,0,0|2,0,0]=3 8874 B13R1.555 FCCOCCc1ccccc1Br 34a_100000731337_100011217306 [0,1,0,0,0,0|2,0,0]=3 8875 B13R1.555 FCCOCCc1ccccc1Br 7a_100000731337_100011217306 [0,1,0,0,0,0|2,0,0]=3 8876 B13R1.555 FCCOCCc1ccccc1Cl 34a_100011215284_100011217306 [0,1,0,0,0,0|2,0,0]=3 8877 B13R1.555 FCCOCCc1ccccc1Cl 7a_100011215284_100011217306 [0,1,0,0,0,0|2,0,0]=3 8878 B13R1.555 FCCOCCc1ccccc1F 34a_100000753711_100011217306 [0,1,0,0,0,0|2,0,0]=3 8879 B13R1.555 FCCOCCc1ccccc1F 7a_100000753711_100011217306 [0,1,0,0,0,0|2,0,0]=3 8880 B13R1.555 FCCOCCc1ccccc1I 34a_100010255290_100011217306 [0,1,0,0,0,0|2,0,0]=3 8881 B13R1.555 FCCOCCc1ccccc1I 7a_100010255290_100011217306 [0,1,0,0,0,0|2,0,0]=3 8882 B13R1.555 FCCSCCc1ccccc1Br 62a_100011217306_100012161201 [0,1,0,0,0,0|2,0,0]=3 8883 B13R1.555 FCCSCCc1ccccc1Br 62a_100012161201_100011217306 [0,1,0,0,0,0|2,0,0]=3 8884 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011217306_100011713703 [0,1,0,0,0,0|2,0,0]=3 8885 B13R1.555 FCCSCCc1ccccc1Cl 62a_100011713703_100011217306 [0,1,0,0,0,0|2,0,0]=3 8886 B13R1.555 FCCSCCc1ccccc1F 62a_100011217306_100011713696 [0,1,0,0,0,0|2,0,0]=3 8887 B13R1.555 FCCSCCc1ccccc1F 62a_100011713696_100011217306 [0,1,0,0,0,0|2,0,0]=3 8888 B13R1.555 FCNCCCc1ccccc1F 34a_100000724733_100015361967 [0,1,0,0,0,0|2,0,0]=3 8889 B13R1.555 FCNCCOc1ccccc1Br 34a_100000744007_100015361967 [0,1,0,0,0,0|3,0,0]=4 8890 B13R1.555 FCNCCOc1ccccc1Cl 34a_100000174932_100015361967 [0,1,0,0,0,0|3,0,0]=4 8891 B13R1.555 FCNCCOc1ccccc1F 34a_100000683764_100015361967 [0,1,0,0,0,0|3,0,0]=4 8892 B13R1.555 FCOCCCc1ccccc1Br 34a_100000699526_100015361967 [0,1,0,0,0,0|2,0,0]=3 8893 B13R1.555 FCOCCCc1ccccc1Br 7a_100000699526_100015361967 [0,1,0,0,0,0|2,0,0]=3 8894 B13R1.555 FCOCCCc1ccccc1Cl 34a_100011709251_100015361967 [0,1,0,0,0,0|2,0,0]=3 8895 B13R1.555 FCOCCCc1ccccc1Cl 7a_100011709251_100015361967 [0,1,0,0,0,0|2,0,0]=3 8896 B13R1.555 FCOCCCc1ccccc1F 34a_100011709249_100015361967 [0,1,0,0,0,0|2,0,0]=3 8897 B13R1.555 FCOCCCc1ccccc1F 7a_100011709249_100015361967 [0,1,0,0,0,0|2,0,0]=3 8898 B13R1.555 FCOCCOc1ccccc1Br 34a_100000230753_100015361967 [0,1,0,0,0,0|3,0,0]=4 8899 B13R1.555 FCOCCOc1ccccc1Br 7a_100000230753_100015361967 [0,1,0,0,0,0|3,0,0]=4 8900 B13R1.555 FCOCCOc1ccccc1Cl 34a_200000230518_100015361967 [0,1,0,0,0,0|3,0,0]=4 8901 B13R1.555 FCOCCOc1ccccc1Cl 7a_200000230518_100015361967 [0,1,0,0,0,0|3,0,0]=4 8902 B13R1.555 FCOCCOc1ccccc1F 34a_100000756447_100015361967 [0,1,0,0,0,0|3,0,0]=4 8903 B13R1.555 FCOCCOc1ccccc1F 7a_100000756447_100015361967 [0,1,0,0,0,0|3,0,0]=4 8904 B13R1.555 FCOCCSc1ccccc1Br 34a_200000230852_100015361967 [0,1,0,0,0,0|3,0,0]=4 8905 B13R1.555 FCOCCSc1ccccc1Br 7a_200000230852_100015361967 [0,1,0,0,0,0|3,0,0]=4 8906 B13R1.555 FCOCCSc1ccccc1Cl 34a_200000230572_100015361967 [0,1,0,0,0,0|3,0,0]=4 8907 B13R1.555 FCOCCSc1ccccc1Cl 7a_200000230572_100015361967 [0,1,0,0,0,0|3,0,0]=4 8908 B13R1.555 FCOCCSc1ccccc1F 34a_200000230732_100015361967 [0,1,0,0,0,0|3,0,0]=4 8909 B13R1.555 FCOCCSc1ccccc1F 7a_200000230732_100015361967 [0,1,0,0,0,0|3,0,0]=4 8910 B13R1.555 FCSCCCc1ccccc1Br 62a_100015361967_200011713681 [0,1,0,0,0,0|2,0,0]=3 8911 B13R1.555 FCSCCCc1ccccc1Br 62a_200011713681_100015361967 [0,1,0,0,0,0|2,0,0]=3 8912 B13R1.555 FCSCCOc1ccccc1Br 62a_100000695877_100015361967 [0,1,0,0,0,0|3,0,0]=4 8913 B13R1.555 FCSCCOc1ccccc1Br 62a_100015361967_100000695877 [0,1,0,0,0,0|3,0,0]=4 8914 B13R1.555 FCSCCOc1ccccc1F 62a_100000183290_100015361967 [0,1,0,0,0,0|3,0,0]=4 8915 B13R1.555 FCSCCOc1ccccc1F 62a_100015361967_100000183290 [0,1,0,0,0,0|3,0,0]=4 8916 B13R1.555 Fc1ccccc1CCOCCBr 34a_100000211926_100000720011 [0,1,0,0,0,0|2,0,0]=3 8917 B13R1.555 Fc1ccccc1COCCCBr 34a_100011217188_100000211605 [0,1,0,0,0,0|2,0,0]=3 8918 B13R1.555 Fc1ccccc1COCCCCl 34a_100000230001_100000211605 [0,1,0,0,0,0|2,0,0]=3 8919 B13R1.555 Fc1cccnc1COCCCBr 34a_100011217188_100000104219 [0,1,0,0,0,0|3,0,0]=4 8920 B13R1.555 Fc1cccnc1COCCCCl 34a_100000230001_100000104219 [0,1,0,0,0,0|3,0,0]=4 8921 B13R1.555 Fc1ncccc1COCCCBr 34a_100011217188_100000099810 [0,1,0,0,0,0|3,0,0]=4 8922 B13R1.555 Fc1ncccc1COCCCCl 34a_100000230001_100000099810 [0,1,0,0,0,0|3,0,0]=4 8923 B13R1.555 N#CCCCOc1ccccc1Br 7a_100000181306_100000687738 [0,1,0,0,0,0|2,0,1]=4 8924 B13R1.555 N#CCCCOc1ccccc1Cl 7a_100000210172_100000687738 [0,1,0,0,0,0|2,0,1]=4 8925 B13R1.555 N#CCCCOc1ccccc1F 7a_100000210171_100000687738 [0,1,0,0,0,0|2,0,1]=4 8926 B13R1.555 N#CCCCOc1ccccc1I 7a_100000739446_100000687738 [0,1,0,0,0,0|2,0,1]=4 8927 B13R1.555 N#CCCCOc1ccccc1N 7a_100000185747_100000687738 [0,1,0,0,0,0|2,0,1]=4 8928 B13R1.555 N#CCCCSc1ccccc1Br 62a_100000687738_100000695589 [0,1,0,0,0,0|2,0,1]=4 8929 B13R1.555 N#CCCCSc1ccccc1Br 62a_100000695589_100000687738 [0,1,0,0,0,0|2,0,1]=4 8930 B13R1.555 N#CCCCSc1ccccc1Cl 62a_100000687738_100000764095 [0,1,0,0,0,0|2,0,1]=4 8931 B13R1.555 N#CCCCSc1ccccc1Cl 62a_100000764095_100000687738 [0,1,0,0,0,0|2,0,1]=4 8932 B13R1.555 N#CCCCSc1ccccc1F 62a_100000687738_100011215700 [0,1,0,0,0,0|2,0,1]=4 8933 B13R1.555 N#CCCCSc1ccccc1F 62a_100011215700_100000687738 [0,1,0,0,0,0|2,0,1]=4 8934 B13R1.555 N#CCCCSc1ccccc1N 62a_100000210017_100000687738 [0,1,0,0,0,0|2,0,1]=4 8935 B13R1.555 N#CCCCSc1ccccc1N 62a_100000687738_100000210017 [0,1,0,0,0,0|2,0,1]=4 8936 B13R1.555 N#CCCCSc1ccccc1O 62a_100000687738_100000739446 [0,1,0,0,0,0|2,0,1]=4 8937 B13R1.555 N#CCCCSc1ccccc1O 62a_100000739446_100000687738 [0,1,0,0,0,0|2,0,1]=4 8938 B13R1.555 N#CCCNCc1ccccc1Br 2230a_100000689332_100011215226 [0,1,0,0,0,0|2,0,1]=4 8939 B13R1.555 N#CCCNCc1ccccc1Br 270004a_100000720768_100000211189 [0,1,0,0,0,0|2,0,1]=4 8940 B13R1.555 N#CCCNCc1ccccc1Cl 2230a_100000174879_100011215226 [0,1,0,0,0,0|2,0,1]=4 8941 B13R1.555 N#CCCNCc1ccccc1Cl 270004a_100000720768_100000210073 [0,1,0,0,0,0|2,0,1]=4 8942 B13R1.555 N#CCCNCc1ccccc1F 270004a_100000720768_100000210811 [0,1,0,0,0,0|2,0,1]=4 8943 B13R1.555 N#CCCNCc1ccccc1I 270004a_100000720768_100000010305 [0,1,0,0,0,0|2,0,1]=4 8944 B13R1.555 N#CCCOCc1ccccc1Br 7a_100000756307_100000184422 [0,1,0,0,0,0|2,0,1]=4 8945 B13R1.555 N#CCCOCc1ccccc1Cl 7a_100000210847_100000184422 [0,1,0,0,0,0|2,0,1]=4 8946 B13R1.555 N#CCCOCc1ccccc1F 7a_100000211962_100000184422 [0,1,0,0,0,0|2,0,1]=4 8947 B13R1.555 N#CCCOCc1ccccc1I 7a_100000187465_100000184422 [0,1,0,0,0,0|2,0,1]=4 8948 B13R1.555 N#CCCSCc1ccccc1Br 62a_100000184730_100011215226 [0,1,0,0,0,0|2,0,1]=4 8949 B13R1.555 N#CCCSCc1ccccc1Br 62a_100011215226_100000184730 [0,1,0,0,0,0|2,0,1]=4 8950 B13R1.555 N#CCCSCc1ccccc1Cl 62a_100000187162_100011215226 [0,1,0,0,0,0|2,0,1]=4 8951 B13R1.555 N#CCCSCc1ccccc1Cl 62a_100011215226_100000187162 [0,1,0,0,0,0|2,0,1]=4 8952 B13R1.555 N#CCCSCc1ccccc1F 62a_100000211605_100011215226 [0,1,0,0,0,0|2,0,1]=4 8953 B13R1.555 N#CCCSCc1ccccc1F 62a_100011215226_100000211605 [0,1,0,0,0,0|2,0,1]=4 8954 B13R1.555 N#CCCSCc1ccccc1I 62a_100011215226_100011216222 [0,1,0,0,0,0|2,0,1]=4 8955 B13R1.555 N#CCCSCc1ccccc1I 62a_100011216222_100011215226 [0,1,0,0,0,0|2,0,1]=4 8956 B13R1.555 N#CCNCCc1ccccc1Br 2230a_100000747383_100011215382 [0,1,0,0,0,0|2,0,1]=4 8957 B13R1.555 N#CCNCCc1ccccc1Cl 2230a_100011207228_100011215382 [0,1,0,0,0,0|2,0,1]=4 8958 B13R1.555 N#CCNCCc1ccccc1F 2230a_100000185272_100011215382 [0,1,0,0,0,0|2,0,1]=4 8959 B13R1.555 N#CCOCCc1ccccc1Br 7a_100000731337_100011215382 [0,1,0,0,0,0|2,0,1]=4 8960 B13R1.555 N#CCOCCc1ccccc1Cl 7a_100011215284_100011215382 [0,1,0,0,0,0|2,0,1]=4 8961 B13R1.555 N#CCOCCc1ccccc1F 7a_100000753711_100011215382 [0,1,0,0,0,0|2,0,1]=4 8962 B13R1.555 N#CCOCCc1ccccc1I 7a_100010255290_100011215382 [0,1,0,0,0,0|2,0,1]=4 8963 B13R1.555 N#CCSCCc1ccccc1Br 62a_100011215382_100012161201 [0,1,0,0,0,0|2,0,1]=4 8964 B13R1.555 N#CCSCCc1ccccc1Br 62a_100012161201_100011215382 [0,1,0,0,0,0|2,0,1]=4 8965 B13R1.555 N#CCSCCc1ccccc1Cl 62a_100011215382_100011713703 [0,1,0,0,0,0|2,0,1]=4 8966 B13R1.555 N#CCSCCc1ccccc1Cl 62a_100011713703_100011215382 [0,1,0,0,0,0|2,0,1]=4 8967 B13R1.555 N#CCSCCc1ccccc1F 62a_100011215382_100011713696 [0,1,0,0,0,0|2,0,1]=4 8968 B13R1.555 N#CCSCCc1ccccc1F 62a_100011713696_100011215382 [0,1,0,0,0,0|2,0,1]=4 8969 B13R1.555 N#CCSCCc1ccccc1O 62a_100000722297_100011215382 [0,1,0,0,0,0|2,0,1]=4 8970 B13R1.555 N#CCSCCc1ccccc1O 62a_100011215382_100000722297 [0,1,0,0,0,0|2,0,1]=4 8971 B13R1.555 NCCCOCc1ccccc1Br 34a_100000182051_100000184730 [0,1,0,0,0,0|2,0,0]=3 8972 B13R1.555 NCCCOCc1ccccc1Cl 34a_100000182051_100000187162 [0,1,0,0,0,0|2,0,0]=3 8973 B13R1.555 NCCCOCc1ccccc1F 34a_100000182051_100000211605 [0,1,0,0,0,0|2,0,0]=3 8974 B13R1.555 NCCCOCc1ccccc1I 34a_100000182051_100011215278 [0,1,0,0,0,0|2,0,0]=3 8975 B13R1.555 NCCCOCc1cccnc1Br 34a_100000182051_100010140945 [0,1,0,0,0,0|3,0,0]=4 8976 B13R1.555 NCCCOCc1cccnc1Cl 34a_100000182051_100000045678 [0,1,0,0,0,0|3,0,0]=4 8977 B13R1.555 NCCCOCc1cccnc1F 34a_100000182051_100000099810 [0,1,0,0,0,0|3,0,0]=4 8978 B13R1.555 NCCCOCc1ncccc1Br 34a_100000182051_100025702911 [0,1,0,0,0,0|3,0,0]=4 8979 B13R1.555 NCCCOCc1ncccc1F 34a_100000182051_100000104219 [0,1,0,0,0,0|3,0,0]=4 8980 B13R1.555 NCCCOCc1ncccc1O 34a_100000182051_200020655725 [0,1,0,0,0,0|3,0,0]=4 8981 B13R1.555 NCCOCCc1ccccc1Br 34a_100000210304_100012161201 [0,1,0,0,0,0|2,0,0]=3 8982 B13R1.555 NCCOCCc1ccccc1Cl 34a_100000210304_100011713703 [0,1,0,0,0,0|2,0,0]=3 8983 B13R1.555 NCCOCCc1ccccc1F 34a_100000210304_100000720011 [0,1,0,0,0,0|2,0,0]=3 8984 B13R1.555 NCCOCCc1ccccc1O 34a_100000210304_100000722297 [0,1,0,0,0,0|2,0,0]=3 8985 B13R1.555 NOCCOCc1ccccc1Br 34a_100000700252_100000184730 [0,1,0,0,0,0|3,0,0]=4 8986 B13R1.555 NOCCOCc1ccccc1Cl 34a_100000700252_100000187162 [0,1,0,0,0,0|3,0,0]=4 8987 B13R1.555 NOCCOCc1ccccc1F 34a_100000700252_100000211605 [0,1,0,0,0,0|3,0,0]=4 8988 B13R1.555 NOCCOCc1ccccc1I 34a_100000700252_100011215278 [0,1,0,0,0,0|3,0,0]=4 8989 B13R1.555 Nc1ccccc1CCOCC=O 34a_100011215289_200009817547 [0,1,0,0,0,0|1,0,2]=4 8990 B13R1.555 Nc1ccccc1CCOCCF 34a_100011215289_100011217306 [0,1,0,0,0,0|2,0,0]=3 8991 B13R1.555 Nc1ccccc1CCOCCO 34a_100011215289_100000211926 [0,1,0,0,0,0|1,0,0]=2 8992 B13R1.555 Nc1ccccc1COCCCF 34a_100000212039_100011934791 [0,1,0,0,0,0|2,0,0]=3 8993 B13R1.555 Nc1ccccc1COCCCO 34a_100000212039_100000230001 [0,1,0,0,0,0|1,0,0]=2 8994 B13R1.555 Nc1ccccc1NCCOCF 34a_100000683943_100015361967 [0,1,0,0,0,0|3,0,0]=4 8995 B13R1.555 Nc1ccccc1OCC#CCO 34a_100000185747_200000047223 [0,1,0,0,0,0|1,0,2]=4 8996 B13R1.555 Nc1ccccc1OCC#CCO 7a_100000185747_200000047223 [0,1,0,0,0,0|1,0,2]=4 8997 B13R1.555 Nc1ccccc1OCCCC=O 7a_100000185747_200011292268 [0,1,0,0,0,0|1,0,2]=4 8998 B13R1.555 Nc1ccccc1OCCCCF 34a_100000185747_100000729493 [0,1,0,0,0,0|2,0,0]=3 8999 B13R1.555 Nc1ccccc1OCCCCF 7a_100000185747_100000729493 [0,1,0,0,0,0|2,0,0]=3 9000 B13R1.555 Nc1ccccc1OCCCCO 34a_100000185747_100011216708 [0,1,0,0,0,0|1,0,0]=2 9001 B13R1.555 Nc1ccccc1OCCCCO 7a_100000185747_100000210776 [0,1,0,0,0,0|1,0,0]=2 9002 B13R1.555 Nc1ccccc1OCCOCF 34a_100132302172_100015361967 [0,1,0,0,0,0|3,0,0]=4 9003 B13R1.555 Nc1ccccc1SCC#CCO 62a_100000210017_200000047223 [0,1,0,0,0,0|1,0,2]=4 9004 B13R1.555 Nc1ccccc1SCC#CCO 62a_200000047223_100000210017 [0,1,0,0,0,0|1,0,2]=4 9005 B13R1.555 Nc1ccccc1SCCCC=O 62a_100000210017_200011292268 [0,1,0,0,0,0|1,0,2]=4 9006 B13R1.555 Nc1ccccc1SCCCC=O 62a_200011292268_100000210017 [0,1,0,0,0,0|1,0,2]=4 9007 B13R1.555 Nc1ccccc1SCCCCF 62a_100000210017_100000729493 [0,1,0,0,0,0|2,0,0]=3 9008 B13R1.555 Nc1ccccc1SCCCCF 62a_100000729493_100000210017 [0,1,0,0,0,0|2,0,0]=3 9009 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210017_100000210776 [0,1,0,0,0,0|1,0,0]=2 9010 B13R1.555 Nc1ccccc1SCCCCO 62a_100000210776_100000210017 [0,1,0,0,0,0|1,0,0]=2 9011 B13R1.555 Nc1cccnc1COCCCF 34a_114873767017_100011934791 [0,1,0,0,0,0|3,0,0]=4 9012 B13R1.555 Nc1cccnc1COCCCO 34a_114873767017_100000230001 [0,1,0,0,0,0|2,0,0]=3 9013 B13R1.555 Nc1cccnc1OCCCCF 34a_100000746358_100000729493 [0,1,0,0,0,0|3,0,0]=4 9014 B13R1.555 Nc1cccnc1OCCCCO 34a_100000746358_100011216708 [0,1,0,0,0,0|2,0,0]=3 9015 B13R1.555 Nc1cccnc1SCCCCF 62a_100000688686_100000729493 [0,1,0,0,0,0|3,0,0]=4 9016 B13R1.555 Nc1cccnc1SCCCCF 62a_100000729493_100000688686 [0,1,0,0,0,0|3,0,0]=4 9017 B13R1.555 Nc1cccnc1SCCCCO 62a_100000210776_100000688686 [0,1,0,0,0,0|2,0,0]=3 9018 B13R1.555 Nc1cccnc1SCCCCO 62a_100000688686_100000210776 [0,1,0,0,0,0|2,0,0]=3 9019 B13R1.555 Nc1ccncc1OCCCCF 34a_100000753702_100000729493 [0,1,0,0,0,0|3,0,0]=4 9020 B13R1.555 Nc1ccncc1OCCCCO 34a_100000753702_100011216708 [0,1,0,0,0,0|2,0,0]=3 9021 B13R1.555 Nc1ccncc1SCCCCF 62a_100000047001_100000729493 [0,1,0,0,0,0|3,0,0]=4 9022 B13R1.555 Nc1ccncc1SCCCCF 62a_100000729493_100000047001 [0,1,0,0,0,0|3,0,0]=4 9023 B13R1.555 Nc1ccncc1SCCCCO 62a_100000047001_100000210776 [0,1,0,0,0,0|2,0,0]=3 9024 B13R1.555 Nc1ccncc1SCCCCO 62a_100000210776_100000047001 [0,1,0,0,0,0|2,0,0]=3 9025 B13R1.555 Nc1cnccc1SCCCCF 62a_100000729493_100000756074 [0,1,0,0,0,0|3,0,0]=4 9026 B13R1.555 Nc1cnccc1SCCCCF 62a_100000756074_100000729493 [0,1,0,0,0,0|3,0,0]=4 9027 B13R1.555 Nc1cnccc1SCCCCO 62a_100000210776_100000756074 [0,1,0,0,0,0|2,0,0]=3 9028 B13R1.555 Nc1cnccc1SCCCCO 62a_100000756074_100000210776 [0,1,0,0,0,0|2,0,0]=3 9029 B13R1.555 Nc1cncnc1NCCCCO 27a_100000750430_100000709731 [0,1,0,0,0,0|3,0,0]=4 9030 B13R1.555 Nc1cncnc1SCCCCO 62a_100000210776_100000709731 [0,1,0,0,0,0|3,0,0]=4 9031 B13R1.555 Nc1cncnc1SCCCCO 62a_100000709731_100000210776 [0,1,0,0,0,0|3,0,0]=4 9032 B13R1.555 Nc1cnncc1SCCCCO 62a_100000210776_100009829405 [0,1,0,0,0,0|3,0,0]=4 9033 B13R1.555 Nc1cnncc1SCCCCO 62a_100009829405_100000210776 [0,1,0,0,0,0|3,0,0]=4 9034 B13R1.555 Nc1ncccc1OCCCCF 34a_100000211975_100000729493 [0,1,0,0,0,0|3,0,0]=4 9035 B13R1.555 Nc1ncccc1OCCCCF 7a_100000211975_100000729493 [0,1,0,0,0,0|3,0,0]=4 9036 B13R1.555 Nc1ncccc1OCCCCO 34a_100000211975_100011216708 [0,1,0,0,0,0|2,0,0]=3 9037 B13R1.555 Nc1ncccc1OCCCCO 7a_100000211975_100000210776 [0,1,0,0,0,0|2,0,0]=3 9038 B13R1.555 Nc1ncccc1SCCCCF 62a_100000045569_100000729493 [0,1,0,0,0,0|3,0,0]=4 9039 B13R1.555 Nc1ncccc1SCCCCF 62a_100000729493_100000045569 [0,1,0,0,0,0|3,0,0]=4 9040 B13R1.555 Nc1ncccc1SCCCCO 62a_100000045569_100000210776 [0,1,0,0,0,0|2,0,0]=3 9041 B13R1.555 Nc1ncccc1SCCCCO 62a_100000210776_100000045569 [0,1,0,0,0,0|2,0,0]=3 9042 B13R1.555 Nc1nccnc1SCCCCO 62a_100000210776_100000747729 [0,1,0,0,0,0|3,0,0]=4 9043 B13R1.555 Nc1nccnc1SCCCCO 62a_100000747729_100000210776 [0,1,0,0,0,0|3,0,0]=4 9044 B13R1.555 Nc1ncncc1OCCCCO 7a_100000112926_100000210776 [0,1,0,0,0,0|3,0,0]=4 9045 B13R1.555 Nc1ncncc1SCCCCO 62a_100000210776_100011996079 [0,1,0,0,0,0|3,0,0]=4 9046 B13R1.555 Nc1ncncc1SCCCCO 62a_100011996079_100000210776 [0,1,0,0,0,0|3,0,0]=4 9047 B13R1.555 O=CCCCOc1ccccc1Br 7a_100000181306_200011292268 [0,1,0,0,0,0|1,0,2]=4 9048 B13R1.555 O=CCCCOc1ccccc1Cl 7a_100000210172_200011292268 [0,1,0,0,0,0|1,0,2]=4 9049 B13R1.555 O=CCCCOc1ccccc1F 7a_100000210171_200011292268 [0,1,0,0,0,0|1,0,2]=4 9050 B13R1.555 O=CCCCOc1ccccc1I 7a_100000739446_200011292268 [0,1,0,0,0,0|1,0,2]=4 9051 B13R1.555 O=CCCCSc1ccccc1Br 62a_100000695589_200011292268 [0,1,0,0,0,0|1,0,2]=4 9052 B13R1.555 O=CCCCSc1ccccc1Br 62a_200011292268_100000695589 [0,1,0,0,0,0|1,0,2]=4 9053 B13R1.555 O=CCCCSc1ccccc1Cl 62a_100000764095_200011292268 [0,1,0,0,0,0|1,0,2]=4 9054 B13R1.555 O=CCCCSc1ccccc1Cl 62a_200011292268_100000764095 [0,1,0,0,0,0|1,0,2]=4 9055 B13R1.555 O=CCCCSc1ccccc1F 62a_100011215700_200011292268 [0,1,0,0,0,0|1,0,2]=4 9056 B13R1.555 O=CCCCSc1ccccc1F 62a_200011292268_100011215700 [0,1,0,0,0,0|1,0,2]=4 9057 B13R1.555 O=CCCCSc1ccccc1O 62a_100000739446_200011292268 [0,1,0,0,0,0|1,0,2]=4 9058 B13R1.555 O=CCCCSc1ccccc1O 62a_200011292268_100000739446 [0,1,0,0,0,0|1,0,2]=4 9059 B13R1.555 O=CCNCCc1ccccc1Br 2230a_100000747383_200015260668 [0,1,0,0,0,0|1,0,2]=4 9060 B13R1.555 O=CCNCCc1ccccc1Br 34a_100000747383_200009817547 [0,1,0,0,0,0|1,0,2]=4 9061 B13R1.555 O=CCNCCc1ccccc1Cl 2230a_100011207228_200015260668 [0,1,0,0,0,0|1,0,2]=4 9062 B13R1.555 O=CCNCCc1ccccc1Cl 34a_100011207228_200009817547 [0,1,0,0,0,0|1,0,2]=4 9063 B13R1.555 O=CCNCCc1ccccc1F 2230a_100000185272_200015260668 [0,1,0,0,0,0|1,0,2]=4 9064 B13R1.555 O=CCNCCc1ccccc1F 34a_100000185272_200009817547 [0,1,0,0,0,0|1,0,2]=4 9065 B13R1.555 O=CCNCCc1ccccc1O 34a_100011207237_200009817547 [0,1,0,0,0,0|1,0,2]=4 9066 B13R1.555 O=CCOCCc1ccccc1Br 34a_100000731337_200009817547 [0,1,0,0,0,0|1,0,2]=4 9067 B13R1.555 O=CCOCCc1ccccc1Br 7a_100000731337_200015260668 [0,1,0,0,0,0|1,0,2]=4 9068 B13R1.555 O=CCOCCc1ccccc1Cl 34a_100011215284_200009817547 [0,1,0,0,0,0|1,0,2]=4 9069 B13R1.555 O=CCOCCc1ccccc1Cl 7a_100011215284_200015260668 [0,1,0,0,0,0|1,0,2]=4 9070 B13R1.555 O=CCOCCc1ccccc1F 34a_100000753711_200009817547 [0,1,0,0,0,0|1,0,2]=4 9071 B13R1.555 O=CCOCCc1ccccc1F 7a_100000753711_200015260668 [0,1,0,0,0,0|1,0,2]=4 9072 B13R1.555 O=CCOCCc1ccccc1I 34a_100010255290_200009817547 [0,1,0,0,0,0|1,0,2]=4 9073 B13R1.555 O=CCOCCc1ccccc1I 7a_100010255290_200015260668 [0,1,0,0,0,0|1,0,2]=4 9074 B13R1.555 O=CCSCCc1ccccc1Br 62a_100012161201_200015260668 [0,1,0,0,0,0|1,0,2]=4 9075 B13R1.555 O=CCSCCc1ccccc1Br 62a_200015260668_100012161201 [0,1,0,0,0,0|1,0,2]=4 9076 B13R1.555 O=CCSCCc1ccccc1Cl 62a_100011713703_200015260668 [0,1,0,0,0,0|1,0,2]=4 9077 B13R1.555 O=CCSCCc1ccccc1Cl 62a_200015260668_100011713703 [0,1,0,0,0,0|1,0,2]=4 9078 B13R1.555 O=CCSCCc1ccccc1F 62a_100011713696_200015260668 [0,1,0,0,0,0|1,0,2]=4 9079 B13R1.555 O=CCSCCc1ccccc1F 62a_200015260668_100011713696 [0,1,0,0,0,0|1,0,2]=4 9080 B13R1.555 O=CCSCCc1ccccc1O 62a_100000722297_200015260668 [0,1,0,0,0,0|1,0,2]=4 9081 B13R1.555 O=CCSCCc1ccccc1O 62a_200015260668_100000722297 [0,1,0,0,0,0|1,0,2]=4 9082 B13R1.555 O=c1[nH]ccnc1SCCCCO 62a_100000210776_100000763361 [0,1,0,0,0,0|3,0,0]=4 9083 B13R1.555 O=c1[nH]nccc1NCCCCO 27a_100000750430_100000087129 [0,1,0,0,0,0|3,0,0]=4 9084 B13R1.555 O=c1[nH]nccc1SCCCCO 62a_100000210776_100000087129 [0,1,0,0,0,0|3,0,0]=4 9085 B13R1.555 O=c1cc[nH]cc1SCCCCF 62a_100000729493_100009998708 [0,1,0,0,0,0|3,0,0]=4 9086 B13R1.555 O=c1cc[nH]cc1SCCCCF 62a_100009998708_100000729493 [0,1,0,0,0,0|3,0,0]=4 9087 B13R1.555 O=c1cc[nH]cc1SCCCCO 62a_100000210776_100009998708 [0,1,0,0,0,0|2,0,0]=3 9088 B13R1.555 O=c1cc[nH]cc1SCCCCO 62a_100009998708_100000210776 [0,1,0,0,0,0|2,0,0]=3 9089 B13R1.555 O=c1ccccn1CCNCCF 2230a_100000687133_100011217306 [0,1,0,0,0,0|3,0,0]=4 9090 B13R1.555 O=c1ccccn1CCNCCO 2230a_100000687133_100000211926 [0,1,0,0,0,0|2,0,0]=3 9091 B13R1.555 O=c1ccocc1OCCCCF 34a_100000060831_100000729493 [0,1,0,0,0,0|3,0,0]=4 9092 B13R1.555 O=c1ccocc1OCCCCO 34a_100000060831_100011216708 [0,1,0,0,0,0|2,0,0]=3 9093 B13R1.555 O=c1occcc1OCCCCF 34a_100000077404_100000729493 [0,1,0,0,0,0|3,0,0]=4 9094 B13R1.555 O=c1occcc1OCCCCF 7a_100000077404_100000729493 [0,1,0,0,0,0|3,0,0]=4 9095 B13R1.555 O=c1occcc1OCCCCO 34a_100000077404_100011216708 [0,1,0,0,0,0|2,0,0]=3 9096 B13R1.555 O=c1occcc1OCCCCO 7a_100000077404_100000210776 [0,1,0,0,0,0|2,0,0]=3 9097 B13R1.555 OCC#CCNc1ccccc1Br 34a_100000210017_200000047223 [0,1,0,0,0,0|1,0,2]=4 9098 B13R1.555 OCC#CCNc1ccccc1Cl 34a_100000185783_200000047223 [0,1,0,0,0,0|1,0,2]=4 9099 B13R1.555 OCC#CCNc1ccccc1F 34a_100000210422_200000047223 [0,1,0,0,0,0|1,0,2]=4 9100 B13R1.555 OCC#CCNc1ccccc1I 34a_100000210053_200000047223 [0,1,0,0,0,0|1,0,2]=4 9101 B13R1.555 OCC#CCNc1ccccc1O 34a_100000185747_200000047223 [0,1,0,0,0,0|1,0,2]=4 9102 B13R1.555 OCC#CCOc1ccccc1Br 34a_100000181306_200000047223 [0,1,0,0,0,0|1,0,2]=4 9103 B13R1.555 OCC#CCOc1ccccc1Br 7a_100000181306_200000047223 [0,1,0,0,0,0|1,0,2]=4 9104 B13R1.555 OCC#CCOc1ccccc1Cl 34a_100000210172_200000047223 [0,1,0,0,0,0|1,0,2]=4 9105 B13R1.555 OCC#CCOc1ccccc1Cl 7a_100000210172_200000047223 [0,1,0,0,0,0|1,0,2]=4 9106 B13R1.555 OCC#CCOc1ccccc1F 34a_100000210171_200000047223 [0,1,0,0,0,0|1,0,2]=4 9107 B13R1.555 OCC#CCOc1ccccc1F 7a_100000210171_200000047223 [0,1,0,0,0,0|1,0,2]=4 9108 B13R1.555 OCC#CCOc1ccccc1I 34a_100000739446_200000047223 [0,1,0,0,0,0|1,0,2]=4 9109 B13R1.555 OCC#CCOc1ccccc1I 7a_100000739446_200000047223 [0,1,0,0,0,0|1,0,2]=4 9110 B13R1.555 OCC#CCSc1ccccc1Br 62a_100000695589_200000047223 [0,1,0,0,0,0|1,0,2]=4 9111 B13R1.555 OCC#CCSc1ccccc1Br 62a_200000047223_100000695589 [0,1,0,0,0,0|1,0,2]=4 9112 B13R1.555 OCC#CCSc1ccccc1Cl 62a_100000764095_200000047223 [0,1,0,0,0,0|1,0,2]=4 9113 B13R1.555 OCC#CCSc1ccccc1Cl 62a_200000047223_100000764095 [0,1,0,0,0,0|1,0,2]=4 9114 B13R1.555 OCC#CCSc1ccccc1F 62a_100011215700_200000047223 [0,1,0,0,0,0|1,0,2]=4 9115 B13R1.555 OCC#CCSc1ccccc1F 62a_200000047223_100011215700 [0,1,0,0,0,0|1,0,2]=4 9116 B13R1.555 OCC#CCSc1ccccc1O 62a_100000739446_200000047223 [0,1,0,0,0,0|1,0,2]=4 9117 B13R1.555 OCC#CCSc1ccccc1O 62a_200000047223_100000739446 [0,1,0,0,0,0|1,0,2]=4 9118 B13R1.555 OCCCCNc1ccccc1Br 34a_100000210017_100011216708 [0,1,0,0,0,0|1,0,0]=2 9119 B13R1.555 OCCCCNc1ccccc1Cl 34a_100000185783_100011216708 [0,1,0,0,0,0|1,0,0]=2 9120 B13R1.555 OCCCCNc1ccccc1F 34a_100000210422_100011216708 [0,1,0,0,0,0|1,0,0]=2 9121 B13R1.555 OCCCCNc1ccccc1I 34a_100000210053_100011216708 [0,1,0,0,0,0|1,0,0]=2 9122 B13R1.555 OCCCCNc1ccccc1O 34a_100000185747_100011216708 [0,1,0,0,0,0|1,0,0]=2 9123 B13R1.555 OCCCCNc1ccncc1Br 27a_100000750430_100000726257 [0,1,0,0,0,0|2,0,0]=3 9124 B13R1.555 OCCCCNc1ccncc1F 27a_100000750430_100000035921 [0,1,0,0,0,0|2,0,0]=3 9125 B13R1.555 OCCCCNc1ncccc1Br 27a_100000750430_100000696092 [0,1,0,0,0,0|2,0,0]=3 9126 B13R1.555 OCCCCNc1nccnc1F 27a_100000750430_200010125657 [0,1,0,0,0,0|3,0,0]=4 9127 B13R1.555 OCCCCNc1ncncc1F 27a_100000750430_100000069762 [0,1,0,0,0,0|3,0,0]=4 9128 B13R1.555 OCCCCOc1ccccc1Br 34a_100000181306_100011216708 [0,1,0,0,0,0|1,0,0]=2 9129 B13R1.555 OCCCCOc1ccccc1Br 7a_100000181306_100000210776 [0,1,0,0,0,0|1,0,0]=2 9130 B13R1.555 OCCCCOc1ccccc1Cl 34a_100000210172_100011216708 [0,1,0,0,0,0|1,0,0]=2 9131 B13R1.555 OCCCCOc1ccccc1Cl 7a_100000210172_100000210776 [0,1,0,0,0,0|1,0,0]=2 9132 B13R1.555 OCCCCOc1ccccc1F 34a_100000210171_100011216708 [0,1,0,0,0,0|1,0,0]=2 9133 B13R1.555 OCCCCOc1ccccc1F 7a_100000210171_100000210776 [0,1,0,0,0,0|1,0,0]=2 9134 B13R1.555 OCCCCOc1ccccc1I 34a_100000739446_100011216708 [0,1,0,0,0,0|1,0,0]=2 9135 B13R1.555 OCCCCOc1ccccc1I 7a_100000739446_100000210776 [0,1,0,0,0,0|1,0,0]=2 9136 B13R1.555 OCCCCOc1cccnc1Br 34a_100000744436_100011216708 [0,1,0,0,0,0|2,0,0]=3 9137 B13R1.555 OCCCCOc1cccnc1Br 7a_100000744436_100000210776 [0,1,0,0,0,0|2,0,0]=3 9138 B13R1.555 OCCCCOc1cccnc1Cl 34a_100000757616_100011216708 [0,1,0,0,0,0|2,0,0]=3 9139 B13R1.555 OCCCCOc1cccnc1Cl 7a_100000757616_100000210776 [0,1,0,0,0,0|2,0,0]=3 9140 B13R1.555 OCCCCOc1cccnc1F 34a_100000061740_100011216708 [0,1,0,0,0,0|2,0,0]=3 9141 B13R1.555 OCCCCOc1cccnc1F 7a_100000061740_100000210776 [0,1,0,0,0,0|2,0,0]=3 9142 B13R1.555 OCCCCOc1cccnc1I 34a_100000034122_100011216708 [0,1,0,0,0,0|2,0,0]=3 9143 B13R1.555 OCCCCOc1cccnc1I 7a_100000034122_100000210776 [0,1,0,0,0,0|2,0,0]=3 9144 B13R1.555 OCCCCOc1ccncc1Br 34a_100011996408_100011216708 [0,1,0,0,0,0|2,0,0]=3 9145 B13R1.555 OCCCCOc1ccncc1Cl 34a_100011997054_100011216708 [0,1,0,0,0,0|2,0,0]=3 9146 B13R1.555 OCCCCOc1ccncc1F 34a_200000081243_100011216708 [0,1,0,0,0,0|2,0,0]=3 9147 B13R1.555 OCCCCOc1cnccc1Cl 34a_100011996695_100011216708 [0,1,0,0,0,0|2,0,0]=3 9148 B13R1.555 OCCCCOc1cnccc1I 34a_100000050107_100011216708 [0,1,0,0,0,0|2,0,0]=3 9149 B13R1.555 OCCCCOc1ncccc1Cl 34a_100011290957_100011216708 [0,1,0,0,0,0|2,0,0]=3 9150 B13R1.555 OCCCCOc1ncccc1F 34a_100011219419_100011216708 [0,1,0,0,0,0|2,0,0]=3 9151 B13R1.555 OCCCCSc1c[nH]ccc1=S 62a_100000210776_200012280681 [0,1,0,0,0,0|2,0,0]=3 9152 B13R1.555 OCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210776 [0,1,0,0,0,0|2,0,0]=3 9153 B13R1.555 OCCCCSc1ccccc1Br 62a_100000210776_100000695589 [0,1,0,0,0,0|1,0,0]=2 9154 B13R1.555 OCCCCSc1ccccc1Br 62a_100000695589_100000210776 [0,1,0,0,0,0|1,0,0]=2 9155 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000210776_100000764095 [0,1,0,0,0,0|1,0,0]=2 9156 B13R1.555 OCCCCSc1ccccc1Cl 62a_100000764095_100000210776 [0,1,0,0,0,0|1,0,0]=2 9157 B13R1.555 OCCCCSc1ccccc1F 62a_100000210776_100011215700 [0,1,0,0,0,0|1,0,0]=2 9158 B13R1.555 OCCCCSc1ccccc1F 62a_100011215700_100000210776 [0,1,0,0,0,0|1,0,0]=2 9159 B13R1.555 OCCCCSc1ccccc1O 62a_100000210776_100000739446 [0,1,0,0,0,0|1,0,0]=2 9160 B13R1.555 OCCCCSc1ccccc1O 62a_100000739446_100000210776 [0,1,0,0,0,0|1,0,0]=2 9161 B13R1.555 OCCCCSc1cccnc1Br 62a_100000210776_100010202626 [0,1,0,0,0,0|2,0,0]=3 9162 B13R1.555 OCCCCSc1cccnc1Br 62a_100010202626_100000210776 [0,1,0,0,0,0|2,0,0]=3 9163 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000036424_100000210776 [0,1,0,0,0,0|2,0,0]=3 9164 B13R1.555 OCCCCSc1cccnc1Cl 62a_100000210776_100000036424 [0,1,0,0,0,0|2,0,0]=3 9165 B13R1.555 OCCCCSc1cccnc1F 62a_100000210776_100009816115 [0,1,0,0,0,0|2,0,0]=3 9166 B13R1.555 OCCCCSc1cccnc1F 62a_100009816115_100000210776 [0,1,0,0,0,0|2,0,0]=3 9167 B13R1.555 OCCCCSc1cccnc1O 62a_100000210776_100000760158 [0,1,0,0,0,0|2,0,0]=3 9168 B13R1.555 OCCCCSc1cccnc1O 62a_100000760158_100000210776 [0,1,0,0,0,0|2,0,0]=3 9169 B13R1.555 OCCCCSc1ccncc1Br 62a_100000210776_100000726257 [0,1,0,0,0,0|2,0,0]=3 9170 B13R1.555 OCCCCSc1ccncc1Br 62a_100000726257_100000210776 [0,1,0,0,0,0|2,0,0]=3 9171 B13R1.555 OCCCCSc1ccncc1Cl 62a_100000210776_100000708259 [0,1,0,0,0,0|2,0,0]=3 9172 B13R1.555 OCCCCSc1ccncc1Cl 62a_100000708259_100000210776 [0,1,0,0,0,0|2,0,0]=3 9173 B13R1.555 OCCCCSc1ccncc1F 62a_100000047030_100000210776 [0,1,0,0,0,0|2,0,0]=3 9174 B13R1.555 OCCCCSc1ccncc1F 62a_100000210776_100000047030 [0,1,0,0,0,0|2,0,0]=3 9175 B13R1.555 OCCCCSc1ccncc1O 62a_100000210776_100009817591 [0,1,0,0,0,0|2,0,0]=3 9176 B13R1.555 OCCCCSc1ccncc1O 62a_100009817591_100000210776 [0,1,0,0,0,0|2,0,0]=3 9177 B13R1.555 OCCCCSc1cnccc1Br 62a_100000210776_100010138639 [0,1,0,0,0,0|2,0,0]=3 9178 B13R1.555 OCCCCSc1cnccc1Br 62a_100010138639_100000210776 [0,1,0,0,0,0|2,0,0]=3 9179 B13R1.555 OCCCCSc1cnccc1Cl 62a_100000210776_100009995489 [0,1,0,0,0,0|2,0,0]=3 9180 B13R1.555 OCCCCSc1cnccc1Cl 62a_100009995489_100000210776 [0,1,0,0,0,0|2,0,0]=3 9181 B13R1.555 OCCCCSc1cnccc1F 62a_100000210776_100009820683 [0,1,0,0,0,0|2,0,0]=3 9182 B13R1.555 OCCCCSc1cnccc1F 62a_100009820683_100000210776 [0,1,0,0,0,0|2,0,0]=3 9183 B13R1.555 OCCCCSc1cncnc1Br 62a_100000210776_200012461658 [0,1,0,0,0,0|3,0,0]=4 9184 B13R1.555 OCCCCSc1cncnc1Br 62a_200012461658_100000210776 [0,1,0,0,0,0|3,0,0]=4 9185 B13R1.555 OCCCCSc1cncnc1Cl 62a_100000210776_100000758962 [0,1,0,0,0,0|3,0,0]=4 9186 B13R1.555 OCCCCSc1cncnc1Cl 62a_100000758962_100000210776 [0,1,0,0,0,0|3,0,0]=4 9187 B13R1.555 OCCCCSc1cncnc1O 62a_100000210776_100000751107 [0,1,0,0,0,0|3,0,0]=4 9188 B13R1.555 OCCCCSc1cncnc1O 62a_100000751107_100000210776 [0,1,0,0,0,0|3,0,0]=4 9189 B13R1.555 OCCCCSc1ncccc1Br 62a_100000210776_100000696092 [0,1,0,0,0,0|2,0,0]=3 9190 B13R1.555 OCCCCSc1ncccc1Br 62a_100000696092_100000210776 [0,1,0,0,0,0|2,0,0]=3 9191 B13R1.555 OCCCCSc1ncccc1Cl 62a_100000210776_100011356963 [0,1,0,0,0,0|2,0,0]=3 9192 B13R1.555 OCCCCSc1ncccc1Cl 62a_100011356963_100000210776 [0,1,0,0,0,0|2,0,0]=3 9193 B13R1.555 OCCCCSc1ncccc1F 62a_100000210776_100000685392 [0,1,0,0,0,0|2,0,0]=3 9194 B13R1.555 OCCCCSc1ncccc1F 62a_100000685392_100000210776 [0,1,0,0,0,0|2,0,0]=3 9195 B13R1.555 OCCCCSc1ncccc1O 62a_100000034122_100000210776 [0,1,0,0,0,0|2,0,0]=3 9196 B13R1.555 OCCCCSc1ncccc1O 62a_100000210776_100000034122 [0,1,0,0,0,0|2,0,0]=3 9197 B13R1.555 OCCCCSc1nccnc1Cl 62a_100000210776_100010886584 [0,1,0,0,0,0|3,0,0]=4 9198 B13R1.555 OCCCCSc1nccnc1Cl 62a_100010886584_100000210776 [0,1,0,0,0,0|3,0,0]=4 9199 B13R1.555 OCCCCSc1nccnc1F 62a_100000210776_200010125657 [0,1,0,0,0,0|3,0,0]=4 9200 B13R1.555 OCCCCSc1nccnc1F 62a_200010125657_100000210776 [0,1,0,0,0,0|3,0,0]=4 9201 B13R1.555 OCCCCSc1ncncc1F 62a_100000069762_100000210776 [0,1,0,0,0,0|3,0,0]=4 9202 B13R1.555 OCCCCSc1ncncc1F 62a_100000210776_100000069762 [0,1,0,0,0,0|3,0,0]=4 9203 B13R1.555 OCCCNCc1ccccc1Br 207a_100000182051_100000211189 [0,1,0,0,0,0|1,0,0]=2 9204 B13R1.555 OCCCNCc1ccccc1Br 2230a_100000689332_100000230001 [0,1,0,0,0,0|1,0,0]=2 9205 B13R1.555 OCCCNCc1ccccc1Br 270004a_100000182051_100000211189 [0,1,0,0,0,0|1,0,0]=2 9206 B13R1.555 OCCCNCc1ccccc1Br 34a_100000689332_100000230001 [0,1,0,0,0,0|1,0,0]=2 9207 B13R1.555 OCCCNCc1ccccc1Cl 207a_100000182051_100000210073 [0,1,0,0,0,0|1,0,0]=2 9208 B13R1.555 OCCCNCc1ccccc1Cl 2230a_100000174879_100000230001 [0,1,0,0,0,0|1,0,0]=2 9209 B13R1.555 OCCCNCc1ccccc1Cl 270004a_100000182051_100000210073 [0,1,0,0,0,0|1,0,0]=2 9210 B13R1.555 OCCCNCc1ccccc1Cl 34a_100000174879_100000230001 [0,1,0,0,0,0|1,0,0]=2 9211 B13R1.555 OCCCNCc1ccccc1F 207a_100000182051_100000210811 [0,1,0,0,0,0|1,0,0]=2 9212 B13R1.555 OCCCNCc1ccccc1F 270004a_100000182051_100000210811 [0,1,0,0,0,0|1,0,0]=2 9213 B13R1.555 OCCCNCc1ccccc1F 34a_100000174869_100000230001 [0,1,0,0,0,0|1,0,0]=2 9214 B13R1.555 OCCCNCc1ccccc1I 207a_100000182051_100000010305 [0,1,0,0,0,0|1,0,0]=2 9215 B13R1.555 OCCCNCc1ccccc1I 270004a_100000182051_100000010305 [0,1,0,0,0,0|1,0,0]=2 9216 B13R1.555 OCCCNCc1ccccc1O 34a_100000185550_100000230001 [0,1,0,0,0,0|1,0,0]=2 9217 B13R1.555 OCCCNCc1cccnc1Br 2230a_100009818023_100000230001 [0,1,0,0,0,0|2,0,0]=3 9218 B13R1.555 OCCCNCc1cccnc1Br 34a_100009818023_100000230001 [0,1,0,0,0,0|2,0,0]=3 9219 B13R1.555 OCCCNCc1cccnc1Cl 2230a_100015189234_100000230001 [0,1,0,0,0,0|2,0,0]=3 9220 B13R1.555 OCCCNCc1cccnc1Cl 34a_100015189234_100000230001 [0,1,0,0,0,0|2,0,0]=3 9221 B13R1.555 OCCCNCc1cccnc1F 34a_100000724633_100000230001 [0,1,0,0,0,0|2,0,0]=3 9222 B13R1.555 OCCCNCc1cccnc1O 207a_100000182051_100011998315 [0,1,0,0,0,0|2,0,0]=3 9223 B13R1.555 OCCCNCc1cccnc1O 270004a_100000182051_100011998315 [0,1,0,0,0,0|2,0,0]=3 9224 B13R1.555 OCCCNCc1ccncc1Br 270004a_100000182051_100000755692 [0,1,0,0,0,0|2,0,0]=3 9225 B13R1.555 OCCCNCc1ccncc1Cl 207a_100000182051_100011934409 [0,1,0,0,0,0|2,0,0]=3 9226 B13R1.555 OCCCNCc1ccncc1Cl 270004a_100000182051_100011934409 [0,1,0,0,0,0|2,0,0]=3 9227 B13R1.555 OCCCNCc1ccncc1F 34a_100011935246_100000230001 [0,1,0,0,0,0|2,0,0]=3 9228 B13R1.555 OCCCNCc1cnccc1Br 270004a_100000182051_100009816821 [0,1,0,0,0,0|2,0,0]=3 9229 B13R1.555 OCCCNCc1cnccc1Cl 270004a_100000182051_100000050567 [0,1,0,0,0,0|2,0,0]=3 9230 B13R1.555 OCCCNCc1ncccc1Br 207a_100000182051_100011934733 [0,1,0,0,0,0|2,0,0]=3 9231 B13R1.555 OCCCNCc1ncccc1Br 270004a_100000182051_100011934733 [0,1,0,0,0,0|2,0,0]=3 9232 B13R1.555 OCCCNCc1ncccc1Cl 207a_100000182051_100012001307 [0,1,0,0,0,0|2,0,0]=3 9233 B13R1.555 OCCCNCc1ncccc1Cl 2230a_100015189233_100000230001 [0,1,0,0,0,0|2,0,0]=3 9234 B13R1.555 OCCCNCc1ncccc1Cl 270004a_100000182051_100012001307 [0,1,0,0,0,0|2,0,0]=3 9235 B13R1.555 OCCCNCc1ncccc1F 207a_100000182051_100011934734 [0,1,0,0,0,0|2,0,0]=3 9236 B13R1.555 OCCCNCc1ncccc1F 270004a_100000182051_100011934734 [0,1,0,0,0,0|2,0,0]=3 9237 B13R1.555 OCCCNCc1ncccc1F 34a_100000690088_100000230001 [0,1,0,0,0,0|2,0,0]=3 9238 B13R1.555 OCCCNCc1nccnc1Cl 2230a_100000729963_100000230001 [0,1,0,0,0,0|3,0,0]=4 9239 B13R1.555 OCCCOCc1ccccc1Br 34a_100000756307_100000230001 [0,1,0,0,0,0|1,0,0]=2 9240 B13R1.555 OCCCOCc1ccccc1Br 7a_100000756307_100011215043 [0,1,0,0,0,0|1,0,0]=2 9241 B13R1.555 OCCCOCc1ccccc1Cl 34a_100000210847_100000230001 [0,1,0,0,0,0|1,0,0]=2 9242 B13R1.555 OCCCOCc1ccccc1Cl 7a_100000210847_100011215043 [0,1,0,0,0,0|1,0,0]=2 9243 B13R1.555 OCCCOCc1ccccc1F 34a_100000211962_100000230001 [0,1,0,0,0,0|1,0,0]=2 9244 B13R1.555 OCCCOCc1ccccc1F 7a_100000211962_100011215043 [0,1,0,0,0,0|1,0,0]=2 9245 B13R1.555 OCCCOCc1ccccc1I 34a_100000187465_100000230001 [0,1,0,0,0,0|1,0,0]=2 9246 B13R1.555 OCCCOCc1ccccc1I 7a_100000187465_100011215043 [0,1,0,0,0,0|1,0,0]=2 9247 B13R1.555 OCCCOCc1cccnc1Br 34a_100000719692_100000230001 [0,1,0,0,0,0|2,0,0]=3 9248 B13R1.555 OCCCOCc1cccnc1Br 7a_100000719692_100011215043 [0,1,0,0,0,0|2,0,0]=3 9249 B13R1.555 OCCCOCc1cccnc1Cl 34a_100000748726_100000230001 [0,1,0,0,0,0|2,0,0]=3 9250 B13R1.555 OCCCOCc1cccnc1Cl 7a_100000748726_100011215043 [0,1,0,0,0,0|2,0,0]=3 9251 B13R1.555 OCCCOCc1cccnc1F 34a_100000079888_100000230001 [0,1,0,0,0,0|2,0,0]=3 9252 B13R1.555 OCCCOCc1cccnc1F 7a_100000079888_100011215043 [0,1,0,0,0,0|2,0,0]=3 9253 B13R1.555 OCCCOCc1ccncc1F 34a_100012172863_100000230001 [0,1,0,0,0,0|2,0,0]=3 9254 B13R1.555 OCCCOCc1cnccc1Cl 34a_100000117392_100000230001 [0,1,0,0,0,0|2,0,0]=3 9255 B13R1.555 OCCCOCc1ncccc1Br 34a_100011996772_100000230001 [0,1,0,0,0,0|2,0,0]=3 9256 B13R1.555 OCCCOCc1ncccc1Cl 34a_100012002383_100000230001 [0,1,0,0,0,0|2,0,0]=3 9257 B13R1.555 OCCCOCc1ncccc1F 34a_100011934865_100000230001 [0,1,0,0,0,0|2,0,0]=3 9258 B13R1.555 OCCCOCc1nccnc1Cl 34a_100000057004_100000230001 [0,1,0,0,0,0|3,0,0]=4 9259 B13R1.555 OCCCSCc1ccccc1Br 62a_100000184730_100011215043 [0,1,0,0,0,0|1,0,0]=2 9260 B13R1.555 OCCCSCc1ccccc1Br 62a_100011215043_100000184730 [0,1,0,0,0,0|1,0,0]=2 9261 B13R1.555 OCCCSCc1ccccc1Cl 62a_100000187162_100011215043 [0,1,0,0,0,0|1,0,0]=2 9262 B13R1.555 OCCCSCc1ccccc1Cl 62a_100011215043_100000187162 [0,1,0,0,0,0|1,0,0]=2 9263 B13R1.555 OCCCSCc1ccccc1F 62a_100000211605_100011215043 [0,1,0,0,0,0|1,0,0]=2 9264 B13R1.555 OCCCSCc1ccccc1F 62a_100011215043_100000211605 [0,1,0,0,0,0|1,0,0]=2 9265 B13R1.555 OCCCSCc1ccccc1I 62a_100011215043_100011216222 [0,1,0,0,0,0|1,0,0]=2 9266 B13R1.555 OCCCSCc1ccccc1I 62a_100011216222_100011215043 [0,1,0,0,0,0|1,0,0]=2 9267 B13R1.555 OCCCSCc1cccnc1Br 62a_100010140945_100011215043 [0,1,0,0,0,0|2,0,0]=3 9268 B13R1.555 OCCCSCc1cccnc1Br 62a_100011215043_100010140945 [0,1,0,0,0,0|2,0,0]=3 9269 B13R1.555 OCCCSCc1cccnc1Cl 62a_100000045678_100011215043 [0,1,0,0,0,0|2,0,0]=3 9270 B13R1.555 OCCCSCc1cccnc1Cl 62a_100011215043_100000045678 [0,1,0,0,0,0|2,0,0]=3 9271 B13R1.555 OCCCSCc1cccnc1F 62a_100000099810_100011215043 [0,1,0,0,0,0|2,0,0]=3 9272 B13R1.555 OCCCSCc1cccnc1F 62a_100011215043_100000099810 [0,1,0,0,0,0|2,0,0]=3 9273 B13R1.555 OCCCSCc1ccncc1Cl 62a_100000763264_100011215043 [0,1,0,0,0,0|2,0,0]=3 9274 B13R1.555 OCCCSCc1ccncc1Cl 62a_100011215043_100000763264 [0,1,0,0,0,0|2,0,0]=3 9275 B13R1.555 OCCCSCc1ncccc1Br 62a_100011215043_100025702911 [0,1,0,0,0,0|2,0,0]=3 9276 B13R1.555 OCCCSCc1ncccc1Br 62a_100025702911_100011215043 [0,1,0,0,0,0|2,0,0]=3 9277 B13R1.555 OCCCSCc1ncccc1Cl 62a_100000099807_100011215043 [0,1,0,0,0,0|2,0,0]=3 9278 B13R1.555 OCCCSCc1ncccc1Cl 62a_100011215043_100000099807 [0,1,0,0,0,0|2,0,0]=3 9279 B13R1.555 OCCCSCc1ncccc1F 62a_100000104219_100011215043 [0,1,0,0,0,0|2,0,0]=3 9280 B13R1.555 OCCCSCc1ncccc1F 62a_100011215043_100000104219 [0,1,0,0,0,0|2,0,0]=3 9281 B13R1.555 OCCCSCc1ncccc1O 62a_100011215043_200020655725 [0,1,0,0,0,0|2,0,0]=3 9282 B13R1.555 OCCCSCc1ncccc1O 62a_200020655725_100011215043 [0,1,0,0,0,0|2,0,0]=3 9283 B13R1.555 OCCNCCc1ccccc1Br 2230a_100000747383_100000211926 [0,1,0,0,0,0|1,0,0]=2 9284 B13R1.555 OCCNCCc1ccccc1Br 2230a_100016997473_100012161201 [0,1,0,0,0,0|1,0,0]=2 9285 B13R1.555 OCCNCCc1ccccc1Br 34a_100000747383_100000211926 [0,1,0,0,0,0|1,0,0]=2 9286 B13R1.555 OCCNCCc1ccccc1Br 34a_100016990907_100012161201 [0,1,0,0,0,0|1,0,0]=2 9287 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100011207228_100000211926 [0,1,0,0,0,0|1,0,0]=2 9288 B13R1.555 OCCNCCc1ccccc1Cl 2230a_100016997473_100011713703 [0,1,0,0,0,0|1,0,0]=2 9289 B13R1.555 OCCNCCc1ccccc1Cl 270004a_100000210304_200011713468 [0,1,0,0,0,0|1,0,0]=2 9290 B13R1.555 OCCNCCc1ccccc1Cl 34a_100011207228_100000211926 [0,1,0,0,0,0|1,0,0]=2 9291 B13R1.555 OCCNCCc1ccccc1Cl 34a_100016990907_100011713703 [0,1,0,0,0,0|1,0,0]=2 9292 B13R1.555 OCCNCCc1ccccc1F 2230a_100000185272_100000211926 [0,1,0,0,0,0|1,0,0]=2 9293 B13R1.555 OCCNCCc1ccccc1F 2230a_100016997473_100011713696 [0,1,0,0,0,0|1,0,0]=2 9294 B13R1.555 OCCNCCc1ccccc1F 34a_100000185272_100000211926 [0,1,0,0,0,0|1,0,0]=2 9295 B13R1.555 OCCNCCc1ccccc1F 34a_100016990907_100000720011 [0,1,0,0,0,0|1,0,0]=2 9296 B13R1.555 OCCNCCc1ccccc1O 34a_100011207237_100000211926 [0,1,0,0,0,0|1,0,0]=2 9297 B13R1.555 OCCNCCc1ccccc1O 34a_100016990907_100000722297 [0,1,0,0,0,0|1,0,0]=2 9298 B13R1.555 OCCNN=Cc1ccccc1Br 4a_100000210001_100000211189 [0,1,0,0,0,0|2,0,1]=4 9299 B13R1.555 OCCNN=Cc1ccccc1Cl 4a_100000210001_100000210073 [0,1,0,0,0,0|2,0,1]=4 9300 B13R1.555 OCCNN=Cc1ccccc1F 4a_100000210001_100000210811 [0,1,0,0,0,0|2,0,1]=4 9301 B13R1.555 OCCNN=Cc1ccccc1I 4a_100000210001_100000010305 [0,1,0,0,0,0|2,0,1]=4 9302 B13R1.555 OCCNN=Cc1ccccc1O 4a_100000210001_100000185834 [0,1,0,0,0,0|2,0,1]=4 9303 B13R1.555 OCCOCCc1ccccc1Br 34a_100000731337_100000211926 [0,1,0,0,0,0|1,0,0]=2 9304 B13R1.555 OCCOCCc1ccccc1Br 7a_100000731337_100000211926 [0,1,0,0,0,0|1,0,0]=2 9305 B13R1.555 OCCOCCc1ccccc1Cl 34a_100011215284_100000211926 [0,1,0,0,0,0|1,0,0]=2 9306 B13R1.555 OCCOCCc1ccccc1Cl 7a_100011215284_100000211926 [0,1,0,0,0,0|1,0,0]=2 9307 B13R1.555 OCCOCCc1ccccc1F 34a_100000753711_100000211926 [0,1,0,0,0,0|1,0,0]=2 9308 B13R1.555 OCCOCCc1ccccc1F 7a_100000753711_100000211926 [0,1,0,0,0,0|1,0,0]=2 9309 B13R1.555 OCCOCCc1ccccc1I 34a_100010255290_100000211926 [0,1,0,0,0,0|1,0,0]=2 9310 B13R1.555 OCCOCCc1ccccc1I 7a_100010255290_100000211926 [0,1,0,0,0,0|1,0,0]=2 9311 B13R1.555 OCCSCCc1ccccc1Br 62a_100000211926_100012161201 [0,1,0,0,0,0|1,0,0]=2 9312 B13R1.555 OCCSCCc1ccccc1Br 62a_100012161201_100000211926 [0,1,0,0,0,0|1,0,0]=2 9313 B13R1.555 OCCSCCc1ccccc1Cl 62a_100000211926_100011713703 [0,1,0,0,0,0|1,0,0]=2 9314 B13R1.555 OCCSCCc1ccccc1Cl 62a_100011713703_100000211926 [0,1,0,0,0,0|1,0,0]=2 9315 B13R1.555 OCCSCCc1ccccc1F 62a_100000211926_100011713696 [0,1,0,0,0,0|1,0,0]=2 9316 B13R1.555 OCCSCCc1ccccc1F 62a_100011713696_100000211926 [0,1,0,0,0,0|1,0,0]=2 9317 B13R1.555 OCCSCCc1ccccc1O 62a_100000211926_100000722297 [0,1,0,0,0,0|1,0,0]=2 9318 B13R1.555 OCCSCCc1ccccc1O 62a_100000722297_100000211926 [0,1,0,0,0,0|1,0,0]=2 9319 B13R1.555 Oc1ccccc1CCNCCF 34a_100000724931_100000722297 [0,1,0,0,0,0|2,0,0]=3 9320 B13R1.555 Oc1ccccc1CCNCCF 34a_100011207237_100011217306 [0,1,0,0,0,0|2,0,0]=3 9321 B13R1.555 Oc1ccccc1CCOCCBr 34a_100000211926_100000722297 [0,1,0,0,0,0|2,0,0]=3 9322 B13R1.555 Oc1ccccc1CCSCCF 62a_100000722297_100011217306 [0,1,0,0,0,0|2,0,0]=3 9323 B13R1.555 Oc1ccccc1CCSCCF 62a_100011217306_100000722297 [0,1,0,0,0,0|2,0,0]=3 9324 B13R1.555 Oc1ccccc1CNCCCF 34a_100000185550_100011934791 [0,1,0,0,0,0|2,0,0]=3 9325 B13R1.555 Oc1ccccc1NCCCCF 34a_100000185747_100000729493 [0,1,0,0,0,0|2,0,0]=3 9326 B13R1.555 Oc1ccccc1SCCCCF 62a_100000729493_100000739446 [0,1,0,0,0,0|2,0,0]=3 9327 B13R1.555 Oc1ccccc1SCCCCF 62a_100000739446_100000729493 [0,1,0,0,0,0|2,0,0]=3 9328 B13R1.555 Oc1cccnc1CNCCCF 34a_100015189416_200020655725 [0,1,0,0,0,0|3,0,0]=4 9329 B13R1.555 Oc1cccnc1COCCCBr 34a_100011217188_200020655725 [0,1,0,0,0,0|3,0,0]=4 9330 B13R1.555 Oc1cccnc1COCCCCl 34a_100000230001_200020655725 [0,1,0,0,0,0|3,0,0]=4 9331 B13R1.555 Oc1cccnc1COCCCF 34a_100000759539_200020655725 [0,1,0,0,0,0|3,0,0]=4 9332 B13R1.555 Oc1cccnc1CSCCCF 62a_100011934791_200020655725 [0,1,0,0,0,0|3,0,0]=4 9333 B13R1.555 Oc1cccnc1CSCCCF 62a_200020655725_100011934791 [0,1,0,0,0,0|3,0,0]=4 9334 B13R1.555 Oc1cccnc1SCCCCF 62a_100000034122_100000729493 [0,1,0,0,0,0|3,0,0]=4 9335 B13R1.555 Oc1cccnc1SCCCCF 62a_100000729493_100000034122 [0,1,0,0,0,0|3,0,0]=4 9336 B13R1.555 Oc1cnccc1SCCCCF 62a_100000729493_100009817591 [0,1,0,0,0,0|3,0,0]=4 9337 B13R1.555 Oc1cnccc1SCCCCF 62a_100009817591_100000729493 [0,1,0,0,0,0|3,0,0]=4 9338 B13R1.555 Oc1ncccc1CNCCCF 207a_100015189416_100011998315 [0,1,0,0,0,0|3,0,0]=4 9339 B13R1.555 Oc1ncccc1CNCCCF 270004a_100015189416_100011998315 [0,1,0,0,0,0|3,0,0]=4 9340 B13R1.555 Oc1ncccc1SCCCCF 62a_100000729493_100000760158 [0,1,0,0,0,0|3,0,0]=4 9341 B13R1.555 Oc1ncccc1SCCCCF 62a_100000760158_100000729493 [0,1,0,0,0,0|3,0,0]=4 9342 B13R1.555 [13CH3]NCCCOc1ccccc1F 2230a_100000707858_200025704644 [0,1,0,0,0,0|3,0,0]=4 9343 B13R1.555 [13CH3]NCCCOc1ccccc1F 34a_100000707858_200025704644 [0,1,0,0,0,0|3,0,0]=4 9344 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 2230a_100000745786_200025704644 [0,1,0,0,0,0|3,0,0]=4 9345 B13R1.555 [13CH3]NCCOCc1ccccc1Cl 34a_100000745786_200025704644 [0,1,0,0,0,0|3,0,0]=4 9346 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 2230a_100011219180_200025704644 [0,1,0,0,0,0|3,0,0]=4 9347 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 34a_100011219180_200025704644 [0,1,0,0,0,0|3,0,0]=4 9348 B13R1.555 [13CH3]NCCSCc1ccccc1Cl 7a_100011219180_200025704644 [0,1,0,0,0,0|3,0,0]=4 9349 B13R1.555 [13CH3]OCCCCc1ccccc1Br 34a_100012092669_200025704644 [0,1,0,0,0,0|2,0,0]=3 9350 B13R1.555 [13CH3]OCCCCc1ccccc1Br 7a_100012092669_200025704644 [0,1,0,0,0,0|2,0,0]=3 9351 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 34a_100000230521_200025704644 [0,1,0,0,0,0|3,0,0]=4 9352 B13R1.555 [13CH3]OCCCOc1ccccc1Cl 7a_100000230521_200025704644 [0,1,0,0,0,0|3,0,0]=4 9353 B13R1.555 [13CH3]OCCNCc1ccccc1Br 34a_106744479749_200025704644 [0,1,0,0,0,0|3,0,0]=4 9354 B13R1.555 [13CH3]OCCNCc1ccccc1Cl 34a_100015187164_200025704644 [0,1,0,0,0,0|3,0,0]=4 9355 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200011259276_200025704644 [0,1,0,0,0,0|3,0,0]=4 9356 B13R1.555 [13CH3]SCCCOc1ccccc1Br 62a_200025704644_200011259276 [0,1,0,0,0,0|3,0,0]=4 9357 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_100011203253_200025704644 [0,1,0,0,0,0|3,0,0]=4 9358 B13R1.555 [13CH3]SCCCOc1ccccc1F 62a_200025704644_100011203253 [0,1,0,0,0,0|3,0,0]=4 9359 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_100000750589_200025704644 [0,1,0,0,0,0|3,0,0]=4 9360 B13R1.555 [13CH3]SCCCSc1ccccc1Cl 62a_200025704644_100000750589 [0,1,0,0,0,0|3,0,0]=4 9361 B13R1.555 [O-][n+]1ccccc1OCCCCF 7a_100000211761_100000729493 [0,1,0,0,0,0|3,0,0]=4 9362 B13R1.555 [O-][n+]1ccccc1OCCCCO 7a_100000211761_100000210776 [0,1,0,0,0,0|2,0,0]=3 9363 B13R1.555 [O-][n+]1ccccc1SCCCCF 62a_100000729493_200000042595 [0,1,0,0,0,0|3,0,0]=4 9364 B13R1.555 [O-][n+]1ccccc1SCCCCO 62a_100000210776_200000042595 [0,1,0,0,0,0|2,0,0]=3 9365 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,1,0,0,0,0|1,0,2]=4 9366 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [0,1,0,0,0,0|2,0,1]=4 9367 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [0,1,0,0,0,0|2,0,1]=4 9368 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [0,1,0,0,0,0|2,0,1]=4 9369 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [0,1,0,0,0,0|2,0,1]=4 9370 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [0,1,0,0,0,0|2,0,1]=4 9371 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [0,1,0,0,0,0|2,0,1]=4 9372 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [0,1,0,0,0,0|2,0,1]=4 9373 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,1,0,0,0,0|1,0,2]=4 9374 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,1,0,0,0,0|2,0,1]=4 9375 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,1,0,0,0,0|2,0,1]=4 9376 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,1,0,0,0,0|2,0,1]=4 9377 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,1,0,0,0,0|2,0,1]=4 9378 B13R1.718 C=CC(O)CNCc1ccccc1 2230a_100015324214_100000730141 [0,1,0,0,0,0|2,0,1]=4 9379 B13R1.718 C=CC(O)CNCc1ccccc1 34a_100015324214_100000730141 [0,1,0,0,0,0|2,0,1]=4 9380 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,1,0,0,0,0|2,0,1]=4 9381 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,1,0,0,0,0|2,0,1]=4 9382 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000211182_100000730141 [0,1,0,0,0,0|2,0,1]=4 9383 B13R1.718 C=CC(O)CSCc1ccccc1 62a_100000730141_100015291786 [0,1,0,0,0,0|2,0,1]=4 9384 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,1,0,0,0,0|2,0,1]=4 9385 B13R1.718 CC(=NNCc1ccccc1)CO 4a_100000007032_100000211253 [0,1,0,0,0,0|2,0,1]=4 9386 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [0,1,0,0,0,0|2,0,1]=4 9387 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [0,1,0,0,0,0|2,0,1]=4 9388 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [0,1,0,0,0,0|2,0,1]=4 9389 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [0,1,0,0,0,0|2,0,1]=4 9390 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000703298_100011218657 [0,1,0,0,0,0|2,0,1]=4 9391 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000765856_100000703298 [0,1,0,0,0,0|2,0,1]=4 9392 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,1,0,0,0,0|2,0,0]=3 9393 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,1,0,0,0,0|2,0,0]=3 9394 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,1,0,0,0,0|2,0,0]=3 9395 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,1,0,0,0,0|2,0,0]=3 9396 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [0,1,0,0,0,0|3,0,0]=4 9397 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [0,1,0,0,0,0|3,0,0]=4 9398 B13R1.718 CC(CF)OCCc1ccncc1 7a_100016041109_100000723409 [0,1,0,0,0,0|3,0,0]=4 9399 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,1,0,0,0,0|2,0,0]=3 9400 B13R1.718 CC(CN)COCc1ccccn1 34a_100000744482_100000721315 [0,1,0,0,0,0|3,0,0]=4 9401 B13R1.718 CC(CN)COCc1cccnc1 34a_100000744482_100000733263 [0,1,0,0,0,0|3,0,0]=4 9402 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,1,0,0,0,0|2,0,0]=3 9403 B13R1.718 CC(CO)CCNc1cccnn1 27a_106354213184_100016991348 [0,1,0,0,0,0|3,0,0]=4 9404 B13R1.718 CC(CO)CCNc1ccncn1 27a_106354213184_100000703185 [0,1,0,0,0,0|3,0,0]=4 9405 B13R1.718 CC(CO)CCNc1cnccn1 27a_106354213184_100000211759 [0,1,0,0,0,0|3,0,0]=4 9406 B13R1.718 CC(CO)CCNc1ncccn1 27a_106354213184_100000211032 [0,1,0,0,0,0|3,0,0]=4 9407 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,1,0,0,0,0|1,0,0]=2 9408 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,1,0,0,0,0|1,0,0]=2 9409 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,1,0,0,0,0|2,0,0]=3 9410 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,1,0,0,0,0|2,0,0]=3 9411 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,1,0,0,0,0|2,0,0]=3 9412 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,1,0,0,0,0|2,0,0]=3 9413 B13R1.718 CC(CO)CNCc1cccnn1 34a_100000744482_100016990269 [0,1,0,0,0,0|3,0,0]=4 9414 B13R1.718 CC(CO)CNCc1ccncc1 207a_100000744482_100000186114 [0,1,0,0,0,0|2,0,0]=3 9415 B13R1.718 CC(CO)CNCc1cnccn1 34a_100000744482_100016995436 [0,1,0,0,0,0|3,0,0]=4 9416 B13R1.718 CC(CO)CNCc1cncnc1 34a_100000744482_100015196519 [0,1,0,0,0,0|3,0,0]=4 9417 B13R1.718 CC(CO)CNCc1ncccn1 34a_100000744482_100000703007 [0,1,0,0,0,0|3,0,0]=4 9418 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,1,0,0,0,0|1,0,0]=2 9419 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,1,0,0,0,0|1,0,0]=2 9420 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [0,1,0,0,0,0|2,0,0]=3 9421 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,1,0,0,0,0|1,0,0]=2 9422 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,1,0,0,0,0|1,0,0]=2 9423 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [0,1,0,0,0,0|2,0,0]=3 9424 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [0,1,0,0,0,0|2,0,0]=3 9425 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [0,1,0,0,0,0|2,0,0]=3 9426 B13R1.718 CC(CO)OCCc1cnccn1 34a_100011349526_100012180447 [0,1,0,0,0,0|3,0,0]=4 9427 B13R1.718 CC(CO)OCCc1cncnc1 34a_100011709255_100012180447 [0,1,0,0,0,0|3,0,0]=4 9428 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,1,0,0,0,0|1,0,0]=2 9429 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [0,1,0,0,0,0|2,0,0]=3 9430 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [0,1,0,0,0,0|2,0,0]=3 9431 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [0,1,0,0,0,0|2,0,0]=3 9432 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [0,1,0,0,0,0|2,0,0]=3 9433 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,1,0,0,0,0|3,0,0]=4 9434 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,1,0,0,0,0|3,0,0]=4 9435 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,0|1,0,1]=3 9436 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,0|1,0,1]=3 9437 B13R1.718 CCC(=O)CCCc1ccccn1 1458a_100000752327_100000210202 [0,1,0,0,0,0|2,0,1]=4 9438 B13R1.718 CCC(=O)CCCc1ccncc1 1458a_100020654287_100000210202 [0,1,0,0,0,0|2,0,1]=4 9439 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,1,0,0,0,0|2,0,1]=4 9440 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,1,0,0,0,0|2,0,1]=4 9441 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,1,0,0,0,0|2,0,1]=4 9442 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,1,0,0,0,0|2,0,1]=4 9443 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,0,0,0,0|2,0,1]=4 9444 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,0,0,0,0|2,0,1]=4 9445 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,0,0,0,0|2,0,1]=4 9446 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,1,0,0,0,0|2,0,1]=4 9447 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,1,0,0,0,0|2,0,1]=4 9448 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,1,0,0,0,0|2,0,1]=4 9449 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,1,0,0,0,0|2,0,1]=4 9450 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,1,0,0,0,0|2,0,1]=4 9451 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,1,0,0,0,0|2,0,1]=4 9452 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,1,0,0,0,0|2,0,1]=4 9453 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,1,0,0,0,0|2,0,1]=4 9454 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,1,0,0,0,0|2,0,0]=3 9455 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,1,0,0,0,0|2,0,0]=3 9456 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,1,0,0,0,0|2,0,0]=3 9457 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,1,0,0,0,0|2,0,0]=3 9458 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,1,0,0,0,0|2,0,0]=3 9459 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,1,0,0,0,0|2,0,0]=3 9460 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,1,0,0,0,0|3,0,0]=4 9461 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,1,0,0,0,0|3,0,0]=4 9462 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,1,0,0,0,0|3,0,0]=4 9463 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,1,0,0,0,0|3,0,0]=4 9464 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,1,0,0,0,0|3,0,0]=4 9465 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,1,0,0,0,0|3,0,0]=4 9466 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,1,0,0,0,0|3,0,0]=4 9467 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,1,0,0,0,0|3,0,0]=4 9468 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,1,0,0,0,0|3,0,0]=4 9469 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,1,0,0,0,0|3,0,0]=4 9470 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,1,0,0,0,0|2,0,0]=3 9471 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,1,0,0,0,0|2,0,0]=3 9472 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,1,0,0,0,0|2,0,0]=3 9473 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,1,0,0,0,0|2,0,0]=3 9474 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,1,0,0,0,0|3,0,0]=4 9475 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,1,0,0,0,0|3,0,0]=4 9476 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,1,0,0,0,0|3,0,0]=4 9477 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,1,0,0,0,0|3,0,0]=4 9478 B13R1.718 CCC(C)CSCc1ccncc1 62a_100000748023_100015193705 [0,1,0,0,0,0|3,0,0]=4 9479 B13R1.718 CCC(C)CSCc1ccncc1 62a_100015193705_100000748023 [0,1,0,0,0,0|3,0,0]=4 9480 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,1,0,0,0,0|2,0,0]=3 9481 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,1,0,0,0,0|2,0,0]=3 9482 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,1,0,0,0,0|2,0,0]=3 9483 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,1,0,0,0,0|3,0,0]=4 9484 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,1,0,0,0,0|3,0,0]=4 9485 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,1,0,0,0,0|3,0,0]=4 9486 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [0,1,0,0,0,0|3,0,0]=4 9487 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,1,0,0,0,0|3,0,0]=4 9488 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,1,0,0,0,0|2,0,0]=3 9489 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,1,0,0,0,0|2,0,0]=3 9490 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,1,0,0,0,0|2,0,0]=3 9491 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,1,0,0,0,0|3,0,0]=4 9492 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,1,0,0,0,0|3,0,0]=4 9493 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,1,0,0,0,0|3,0,0]=4 9494 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,1,0,0,0,0|3,0,0]=4 9495 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [0,1,0,0,0,0|3,0,0]=4 9496 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [0,1,0,0,0,0|3,0,0]=4 9497 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,1,0,0,0,0|2,0,0]=3 9498 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,1,0,0,0,0|2,0,0]=3 9499 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,1,0,0,0,0|3,0,0]=4 9500 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,1,0,0,0,0|3,0,0]=4 9501 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,1,0,0,0,0|3,0,0]=4 9502 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,1,0,0,0,0|3,0,0]=4 9503 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [0,1,0,0,0,0|3,0,0]=4 9504 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [0,1,0,0,0,0|3,0,0]=4 9505 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,1,0,0,0,0|3,0,0]=4 9506 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,1,0,0,0,0|3,0,0]=4 9507 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,1,0,0,0,0|2,0,0]=3 9508 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,1,0,0,0,0|2,0,0]=3 9509 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,1,0,0,0,0|2,0,0]=3 9510 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,1,0,0,0,0|2,0,0]=3 9511 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,1,0,0,0,0|2,0,0]=3 9512 B13R1.718 CCC(O)CNCc1ccccn1 207a_100011218483_100000209966 [0,1,0,0,0,0|3,0,0]=4 9513 B13R1.718 CCC(O)CNCc1ccccn1 2230a_100011218483_100000721315 [0,1,0,0,0,0|3,0,0]=4 9514 B13R1.718 CCC(O)CNCc1ccccn1 270004a_100011218483_100000209966 [0,1,0,0,0,0|3,0,0]=4 9515 B13R1.718 CCC(O)CNCc1cccnc1 207a_100011218483_100000209961 [0,1,0,0,0,0|3,0,0]=4 9516 B13R1.718 CCC(O)CNCc1cccnc1 2230a_100011218483_100000741622 [0,1,0,0,0,0|3,0,0]=4 9517 B13R1.718 CCC(O)CNCc1cccnc1 270004a_100011218483_100000209961 [0,1,0,0,0,0|3,0,0]=4 9518 B13R1.718 CCC(O)CNCc1ccncc1 207a_100011218483_100000186114 [0,1,0,0,0,0|3,0,0]=4 9519 B13R1.718 CCC(O)CNCc1ccncc1 2230a_100011218483_100015193705 [0,1,0,0,0,0|3,0,0]=4 9520 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,0,0,0,0|2,0,0]=3 9521 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,0,0,0,0|2,0,0]=3 9522 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,1,0,0,0,0|2,0,0]=3 9523 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,1,0,0,0,0|2,0,0]=3 9524 B13R1.718 CCC(O)CSCc1ccccn1 62a_100000721315_100011218378 [0,1,0,0,0,0|3,0,0]=4 9525 B13R1.718 CCC(O)CSCc1ccccn1 62a_100011218378_100000721315 [0,1,0,0,0,0|3,0,0]=4 9526 B13R1.718 CCC(O)CSCc1cccnc1 62a_100000741622_100011218378 [0,1,0,0,0,0|3,0,0]=4 9527 B13R1.718 CCC(O)CSCc1cccnc1 62a_100011218378_100000741622 [0,1,0,0,0,0|3,0,0]=4 9528 B13R1.718 CCC(O)CSCc1ccncc1 62a_100011218378_100015193705 [0,1,0,0,0,0|3,0,0]=4 9529 B13R1.718 CCC(O)CSCc1ccncc1 62a_100015193705_100011218378 [0,1,0,0,0,0|3,0,0]=4 9530 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,1,0,0,0,0|2,0,0]=3 9531 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,1,0,0,0,0|2,0,0]=3 9532 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,1,0,0,0,0|2,0,0]=3 9533 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,1,0,0,0,0|2,0,0]=3 9534 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,1,0,0,0,0|3,0,0]=4 9535 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,1,0,0,0,0|3,0,0]=4 9536 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,1,0,0,0,0|3,0,0]=4 9537 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,1,0,0,0,0|3,0,0]=4 9538 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,1,0,0,0,0|3,0,0]=4 9539 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,1,0,0,0,0|3,0,0]=4 9540 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,1,0,0,0,0|3,0,0]=4 9541 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,1,0,0,0,0|3,0,0]=4 9542 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,1,0,0,0,0|3,0,0]=4 9543 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,1,0,0,0,0|3,0,0]=4 9544 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,1,0,0,0,0|3,0,0]=4 9545 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,1,0,0,0,0|3,0,0]=4 9546 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,1,0,0,0,0|3,0,0]=4 9547 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,1,0,0,0,0|2,0,0]=3 9548 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,1,0,0,0,0|2,0,0]=3 9549 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,1,0,0,0,0|2,0,0]=3 9550 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,1,0,0,0,0|2,0,0]=3 9551 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,1,0,0,0,0|2,0,0]=3 9552 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,1,0,0,0,0|3,0,0]=4 9553 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,1,0,0,0,0|3,0,0]=4 9554 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,1,0,0,0,0|3,0,0]=4 9555 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,1,0,0,0,0|2,0,0]=3 9556 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,1,0,0,0,0|2,0,0]=3 9557 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,1,0,0,0,0|3,0,0]=4 9558 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,1,0,0,0,0|3,0,0]=4 9559 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,1,0,0,0,0|3,0,0]=4 9560 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,1,0,0,0,0|3,0,0]=4 9561 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100009816398_100015193705 [0,1,0,0,0,0|3,0,0]=4 9562 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100015193705_100009816398 [0,1,0,0,0,0|3,0,0]=4 9563 B13R1.718 CN(CF)CCCc1ccccc1 269982a_100000693637_100015361967 [0,1,0,0,0,0|2,0,0]=3 9564 B13R1.718 CN(CF)CCOc1ccccc1 269982a_100000184383_100015361967 [0,1,0,0,0,0|3,0,0]=4 9565 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,0|2,0,1]=4 9566 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,0|2,0,1]=4 9567 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,0|2,0,1]=4 9568 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,0|2,0,1]=4 9569 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,1,0,0,0,0|2,0,0]=3 9570 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,1,0,0,0,0|2,0,0]=3 9571 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,1,0,0,0,0|2,0,0]=3 9572 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,1,0,0,0,0|3,0,0]=4 9573 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,1,0,0,0,0|3,0,0]=4 9574 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,1,0,0,0,0|2,0,0]=3 9575 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,1,0,0,0,0|3,0,0]=4 9576 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,1,0,0,0,0|3,0,0]=4 9577 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,1,0,0,0,0|3,0,0]=4 9578 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,1,0,0,0,0|3,0,0]=4 9579 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,1,0,0,0,0|3,0,0]=4 9580 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,1,0,0,0,0|3,0,0]=4 9581 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,1,0,0,0,0|3,0,0]=4 9582 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,1,0,0,0,0|3,0,0]=4 9583 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,1,0,0,0,0|2,0,0]=3 9584 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,1,0,0,0,0|2,0,0]=3 9585 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,1,0,0,0,0|1,0,0]=2 9586 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,1,0,0,0,0|1,0,0]=2 9587 B13R1.718 C[C@@H](CO)CNCc1cccnn1 2230a_100159270163_100000059175 [0,1,0,0,0,0|3,0,0]=4 9588 B13R1.718 C[C@@H](CO)CNCc1cncnc1 2230a_100011243677_100000059175 [0,1,0,0,0,0|3,0,0]=4 9589 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,1,0,0,0,0|1,0,0]=2 9590 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,1,0,0,0,0|1,0,0]=2 9591 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,1,0,0,0,0|1,0,0]=2 9592 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,1,0,0,0,0|1,0,0]=2 9593 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,1,0,0,0,0|2,0,0]=3 9594 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,1,0,0,0,0|2,0,0]=3 9595 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,1,0,0,0,0|2,0,0]=3 9596 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,1,0,0,0,0|2,0,0]=3 9597 B13R1.718 C[C@@H](CO)CSCc1cccnn1 62a_100000059175_100016990269 [0,1,0,0,0,0|3,0,0]=4 9598 B13R1.718 C[C@@H](CO)CSCc1cccnn1 62a_100016990269_100000059175 [0,1,0,0,0,0|3,0,0]=4 9599 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [0,1,0,0,0,0|2,0,0]=3 9600 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [0,1,0,0,0,0|2,0,0]=3 9601 B13R1.718 C[C@@H](CO)CSCc1cnccn1 62a_100000059175_100016995436 [0,1,0,0,0,0|3,0,0]=4 9602 B13R1.718 C[C@@H](CO)CSCc1cnccn1 62a_100016995436_100000059175 [0,1,0,0,0,0|3,0,0]=4 9603 B13R1.718 C[C@@H](CO)CSCc1cncnc1 62a_100000059175_100015196519 [0,1,0,0,0,0|3,0,0]=4 9604 B13R1.718 C[C@@H](CO)CSCc1cncnc1 62a_100015196519_100000059175 [0,1,0,0,0,0|3,0,0]=4 9605 B13R1.718 C[C@@H](CO)CSCc1ncccn1 62a_100000059175_100000703007 [0,1,0,0,0,0|3,0,0]=4 9606 B13R1.718 C[C@@H](CO)CSCc1ncccn1 62a_100000703007_100000059175 [0,1,0,0,0,0|3,0,0]=4 9607 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,1,0,0,0,0|1,0,0]=2 9608 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [0,1,0,0,0,0|2,0,0]=3 9609 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [0,1,0,0,0,0|2,0,0]=3 9610 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [0,1,0,0,0,0|2,0,0]=3 9611 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [0,1,0,0,0,0|2,0,0]=3 9612 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,1,0,0,0,0|1,0,0]=2 9613 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,1,0,0,0,0|1,0,0]=2 9614 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [0,1,0,0,0,0|2,0,0]=3 9615 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [0,1,0,0,0,0|2,0,0]=3 9616 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [0,1,0,0,0,0|2,0,0]=3 9617 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [0,1,0,0,0,0|2,0,0]=3 9618 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [0,1,0,0,0,0|2,0,0]=3 9619 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [0,1,0,0,0,0|2,0,0]=3 9620 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [0,1,0,0,0,0|2,0,0]=3 9621 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [0,1,0,0,0,0|2,0,0]=3 9622 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,1,0,0,0,0|2,0,0]=3 9623 B13R1.718 ClCC(Cl)COCc1ccccn1 34a_100000033668_100000721315 [0,1,0,0,0,0|3,0,0]=4 9624 B13R1.718 ClCC(Cl)COCc1cccnc1 34a_100000033668_100000733263 [0,1,0,0,0,0|3,0,0]=4 9625 B13R1.718 N#CC(F)SCCc1ccccc1 62a_100000765856_200000117898 [0,1,0,0,0,0|2,0,1]=4 9626 B13R1.718 N#CC(F)SCCc1ccccc1 62a_200000117898_100011218657 [0,1,0,0,0,0|2,0,1]=4 9627 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,1,0,0,0,0|2,0,0]=3 9628 B13R1.718 NC[C@@H](F)COCc1ccccn1 34a_100015665980_100000721315 [0,1,0,0,0,0|3,0,0]=4 9629 B13R1.718 NC[C@@H](F)COCc1cccnc1 34a_100015665980_100000733263 [0,1,0,0,0,0|3,0,0]=4 9630 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,0|1,0,1]=3 9631 B13R1.718 O=C(CF)CCCc1ccccn1 1458a_100000752327_100015361967 [0,1,0,0,0,0|2,0,1]=4 9632 B13R1.718 O=C(CF)CCCc1ccncc1 1458a_100020654287_100015361967 [0,1,0,0,0,0|2,0,1]=4 9633 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,1,0,0,0,0|2,0,1]=4 9634 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,1,0,0,0,0|2,0,1]=4 9635 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,0,0,0,0|2,0,1]=4 9636 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,1,0,0,0,0|2,0,1]=4 9637 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,0|0,0,3]=4 9638 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,1,0,0,0,0|0,0,3]=4 9639 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,0|0,0,1]=2 9640 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,0|1,0,1]=3 9641 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,0|1,0,1]=3 9642 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,0|1,0,1]=3 9643 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,0|1,0,1]=3 9644 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,0|1,0,1]=3 9645 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,1,0,0,0,0|2,0,1]=4 9646 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,1,0,0,0,0|2,0,1]=4 9647 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,1,0,0,0,0|2,0,1]=4 9648 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,1,0,0,0,0|2,0,1]=4 9649 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,1,0,0,0,0|2,0,1]=4 9650 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,1,0,0,0,0|2,0,1]=4 9651 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,1,0,0,0,0|2,0,1]=4 9652 B13R1.718 OCC(O)C=NNc1ccccc1 4a_100015195140_100000033539 [0,1,0,0,0,0|2,0,1]=4 9653 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,1,0,0,0,0|1,0,0]=2 9654 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,1,0,0,0,0|1,0,0]=2 9655 B13R1.718 OCC(O)CNCc1cccnn1 2230a_100159270163_100011219619 [0,1,0,0,0,0|3,0,0]=4 9656 B13R1.718 OCC(O)CNCc1cncnc1 2230a_100011243677_100011219619 [0,1,0,0,0,0|3,0,0]=4 9657 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,1,0,0,0,0|1,0,0]=2 9658 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,1,0,0,0,0|1,0,0]=2 9659 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,1,0,0,0,0|1,0,0]=2 9660 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,1,0,0,0,0|1,0,0]=2 9661 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [0,1,0,0,0,0|2,0,0]=3 9662 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [0,1,0,0,0,0|2,0,0]=3 9663 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [0,1,0,0,0,0|2,0,0]=3 9664 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [0,1,0,0,0,0|2,0,0]=3 9665 B13R1.718 OCC(O)CSCc1cccnn1 62a_100011219619_100016990269 [0,1,0,0,0,0|3,0,0]=4 9666 B13R1.718 OCC(O)CSCc1cccnn1 62a_100016990269_100011219619 [0,1,0,0,0,0|3,0,0]=4 9667 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [0,1,0,0,0,0|2,0,0]=3 9668 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [0,1,0,0,0,0|2,0,0]=3 9669 B13R1.718 OCC(O)CSCc1cnccn1 62a_100011219619_100016995436 [0,1,0,0,0,0|3,0,0]=4 9670 B13R1.718 OCC(O)CSCc1cnccn1 62a_100016995436_100011219619 [0,1,0,0,0,0|3,0,0]=4 9671 B13R1.718 OCC(O)CSCc1cncnc1 62a_100011219619_100015196519 [0,1,0,0,0,0|3,0,0]=4 9672 B13R1.718 OCC(O)CSCc1cncnc1 62a_100015196519_100011219619 [0,1,0,0,0,0|3,0,0]=4 9673 B13R1.718 OCC(O)CSCc1ncccn1 62a_100000703007_100011219619 [0,1,0,0,0,0|3,0,0]=4 9674 B13R1.718 OCC(O)CSCc1ncccn1 62a_100011219619_100000703007 [0,1,0,0,0,0|3,0,0]=4 9675 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,1,0,0,0,0|1,0,0]=2 9676 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,1,0,0,0,0|1,0,0]=2 9677 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [0,1,0,0,0,0|2,0,0]=3 9678 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [0,1,0,0,0,0|2,0,0]=3 9679 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [0,1,0,0,0,0|2,0,0]=3 9680 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [0,1,0,0,0,0|2,0,0]=3 9681 B13R1.718 OC[C@@H](O)CNCc1cccnn1 2230a_100020644852_100016990269 [0,1,0,0,0,0|3,0,0]=4 9682 B13R1.718 OC[C@@H](O)CNCc1ccncc1 207a_100020644852_100000186114 [0,1,0,0,0,0|2,0,0]=3 9683 B13R1.718 OC[C@@H](O)CNCc1ccncc1 2230a_100020644852_100015193705 [0,1,0,0,0,0|2,0,0]=3 9684 B13R1.718 OC[C@@H](O)CNCc1cnccn1 2230a_100020644852_100016995436 [0,1,0,0,0,0|3,0,0]=4 9685 B13R1.718 OC[C@@H](O)CNCc1cncnc1 2230a_100020644852_100015196519 [0,1,0,0,0,0|3,0,0]=4 9686 B13R1.718 OC[C@@H](O)CNCc1ncccn1 2230a_100020644852_100000703007 [0,1,0,0,0,0|3,0,0]=4 9687 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,1,0,0,0,0|1,0,0]=2 9688 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,1,0,0,0,0|1,0,0]=2 9689 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,1,0,0,0,0|1,0,0]=2 9690 B13R1.718 OC[C@H](F)CNCc1ccccn1 207a_100015665980_100000209966 [0,1,0,0,0,0|2,0,0]=3 9691 B13R1.718 OC[C@H](F)CNCc1ccccn1 270004a_100015665980_100000209966 [0,1,0,0,0,0|2,0,0]=3 9692 B13R1.718 OC[C@H](F)CNCc1ccccn1 34a_100015665980_100000721315 [0,1,0,0,0,0|2,0,0]=3 9693 B13R1.718 OC[C@H](F)CNCc1cccnc1 207a_100015665980_100000209961 [0,1,0,0,0,0|2,0,0]=3 9694 B13R1.718 OC[C@H](F)CNCc1cccnc1 270004a_100015665980_100000209961 [0,1,0,0,0,0|2,0,0]=3 9695 B13R1.718 OC[C@H](F)CNCc1cccnc1 34a_100015665980_100000733263 [0,1,0,0,0,0|2,0,0]=3 9696 B13R1.718 OC[C@H](F)CNCc1cccnn1 34a_100015665980_100016990269 [0,1,0,0,0,0|3,0,0]=4 9697 B13R1.718 OC[C@H](F)CNCc1ccncc1 207a_100015665980_100000186114 [0,1,0,0,0,0|2,0,0]=3 9698 B13R1.718 OC[C@H](F)CNCc1ccnnc1 270004a_100015665980_100011934578 [0,1,0,0,0,0|3,0,0]=4 9699 B13R1.718 OC[C@H](F)CNCc1cnccn1 270004a_100015665980_100000749867 [0,1,0,0,0,0|3,0,0]=4 9700 B13R1.718 OC[C@H](F)CNCc1cnccn1 34a_100015665980_100016995436 [0,1,0,0,0,0|3,0,0]=4 9701 B13R1.718 OC[C@H](F)CNCc1cncnc1 270004a_100015665980_100000749868 [0,1,0,0,0,0|3,0,0]=4 9702 B13R1.718 OC[C@H](F)CNCc1cncnc1 34a_100015665980_100015196519 [0,1,0,0,0,0|3,0,0]=4 9703 B13R1.718 OC[C@H](F)CNCc1ncccn1 270004a_100015665980_100011532527 [0,1,0,0,0,0|3,0,0]=4 9704 B13R1.718 OC[C@H](F)CNCc1ncccn1 34a_100015665980_100000703007 [0,1,0,0,0,0|3,0,0]=4 9705 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,1,0,0,0,0|1,0,0]=2 9706 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,1,0,0,0,0|1,0,0]=2 9707 B13R1.718 OC[C@H](O)CNCc1cccnn1 2230a_100159270163_100009815848 [0,1,0,0,0,0|3,0,0]=4 9708 B13R1.718 OC[C@H](O)CNCc1cncnc1 2230a_100011243677_100009815848 [0,1,0,0,0,0|3,0,0]=4 9709 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,1,0,0,0,0|1,0,0]=2 9710 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,1,0,0,0,0|1,0,0]=2 9711 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,1,0,0,0,0|1,0,0]=2 9712 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,1,0,0,0,0|1,0,0]=2 9713 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [0,1,0,0,0,0|2,0,0]=3 9714 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [0,1,0,0,0,0|2,0,0]=3 9715 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [0,1,0,0,0,0|2,0,0]=3 9716 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [0,1,0,0,0,0|2,0,0]=3 9717 B13R1.718 OC[C@H](O)CSCc1cccnn1 62a_100009815848_100016990269 [0,1,0,0,0,0|3,0,0]=4 9718 B13R1.718 OC[C@H](O)CSCc1cccnn1 62a_100016990269_100009815848 [0,1,0,0,0,0|3,0,0]=4 9719 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [0,1,0,0,0,0|2,0,0]=3 9720 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [0,1,0,0,0,0|2,0,0]=3 9721 B13R1.718 OC[C@H](O)CSCc1cnccn1 62a_100009815848_100016995436 [0,1,0,0,0,0|3,0,0]=4 9722 B13R1.718 OC[C@H](O)CSCc1cnccn1 62a_100016995436_100009815848 [0,1,0,0,0,0|3,0,0]=4 9723 B13R1.718 OC[C@H](O)CSCc1cncnc1 62a_100009815848_100015196519 [0,1,0,0,0,0|3,0,0]=4 9724 B13R1.718 OC[C@H](O)CSCc1cncnc1 62a_100015196519_100009815848 [0,1,0,0,0,0|3,0,0]=4 9725 B13R1.718 OC[C@H](O)CSCc1ncccn1 62a_100000703007_100009815848 [0,1,0,0,0,0|3,0,0]=4 9726 B13R1.718 OC[C@H](O)CSCc1ncccn1 62a_100009815848_100000703007 [0,1,0,0,0,0|3,0,0]=4 9727 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,1,0,0,0,0|2,0,0]=3 9728 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,1,0,0,0,0|2,0,0]=3 9729 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,1,0,0,0,0|2,0,0]=3 9730 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,1,0,0,0,0|2,0,0]=3 9731 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,1,0,0,0,0|2,0,0]=3 9732 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,1,0,0,0,0|2,0,0]=3 9733 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100000721315_100015614560 [0,1,0,0,0,0|3,0,0]=4 9734 B13R1.718 O[C@@H](CF)CSCc1ccccn1 62a_100015614560_100000721315 [0,1,0,0,0,0|3,0,0]=4 9735 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100000741622_100015614560 [0,1,0,0,0,0|3,0,0]=4 9736 B13R1.718 O[C@@H](CF)CSCc1cccnc1 62a_100015614560_100000741622 [0,1,0,0,0,0|3,0,0]=4 9737 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015193705_100015614560 [0,1,0,0,0,0|3,0,0]=4 9738 B13R1.718 O[C@@H](CF)CSCc1ccncc1 62a_100015614560_100015193705 [0,1,0,0,0,0|3,0,0]=4 9739 B11R0.3 C/C=C/C=C/COCCCCO 34a_100016283227_100011216708 [0,0,1,0,0,0|1,0,2]=4 9740 B11R0.81 C#CCCCCC(=O)C=CC=C 1458a_100016291481_100010269958 [0,0,1,0,0,0|2,0,1]=4 9741 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,0,1,0,0,0|1,0,2]=4 9742 B11R0.81 C=CC=CC(=O)CCCCC#N 1458a_100016291481_100000211819 [0,0,1,0,0,0|2,0,1]=4 9743 B11R0.81 C=CC=CC(=O)CCCCC=C 1458a_100016291481_100011215482 [0,0,1,0,0,0|2,0,1]=4 9744 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,0,1,0,0,0|2,0,0]=3 9745 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [0,0,1,0,0,0|2,0,0]=3 9746 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,0,1,0,0,0|1,0,0]=2 9747 B11R0.81 C=CC=CC(=O)CCCCOC 1458a_100016291481_100000755781 [0,0,1,0,0,0|3,0,0]=4 9748 B11R0.81 C=CC=CC(=O)CCCOCC 1458a_100016291481_100012232248 [0,0,1,0,0,0|3,0,0]=4 9749 B11R0.81 C=CC=CC(=O)CCOCCC 1458a_100016291481_100011215938 [0,0,1,0,0,0|3,0,0]=4 9750 B11R0.81 C=CC=CC(=O)CCOCCO 1458a_100016291481_100011215305 [0,0,1,0,0,0|2,0,0]=3 9751 B11R0.81 C=CC=CC(=O)COCCCC 1458a_100016291481_100011995733 [0,0,1,0,0,0|3,0,0]=4 9752 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,0,1,0,0,0|3,0,0]=4 9753 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,0,1,0,0,0|1,0,2]=4 9754 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,0,1,0,0,0|1,0,2]=4 9755 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,0,1,0,0,0|2,0,1]=4 9756 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,0,1,0,0,0|1,0,2]=4 9757 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,0,1,0,0,0|1,0,2]=4 9758 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,0,1,0,0,0|1,0,2]=4 9759 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [0,0,1,0,0,0|2,0,1]=4 9760 B11R0.161 C=CCC(C=C)OCCCCO 34a_100000038011_100011216708 [0,0,1,0,0,0|1,0,2]=4 9761 B11R0.161 C=CCC(C=C)OCCCCO 7a_100000038011_100000210776 [0,0,1,0,0,0|1,0,2]=4 9762 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,0,0,1,0,0|2,0,0]=3 9763 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,0,0,1,0,0|2,0,0]=3 9764 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,0,0,1,0,0|3,0,0]=4 9765 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,0,0,1,0,0|2,0,0]=3 9766 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,0,0,1,0,0|2,0,0]=3 9767 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,0,0,1,0,0|2,0,0]=3 9768 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,0,0,1,0,0|2,0,0]=3 9769 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,0,0,1,0,0|2,0,0]=3 9770 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,0,0,1,0,0|2,0,0]=3 9771 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,0,0,1,0,0|2,0,0]=3 9772 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [0,0,0,1,0,0|2,0,0]=3 9773 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [0,0,0,1,0,0|2,0,0]=3 9774 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [0,0,0,1,0,0|2,0,0]=3 9775 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [0,0,0,1,0,0|2,0,0]=3 9776 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,0,0,1,0,0|2,0,0]=3 9777 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,0,0,1,0,0|2,0,0]=3 9778 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,0,0,1,0,0|1,0,1]=3 9779 B13R2.3 C1=C(CCCC1)c2ccccn2 271570a_100000062251_100011216584 [0,0,0,1,0,0|2,0,1]=4 9780 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,0,0,1,0,0|2,0,1]=4 9781 B13R2.3 C1=C(CCCC1)c2ccncc2 271570a_100000062251_100000035832 [0,0,0,1,0,0|2,0,1]=4 9782 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,0,0,1,0,0|2,0,1]=4 9783 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,0,0,1,0,0|2,0,1]=4 9784 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,0,0,1,0,0|2,0,1]=4 9785 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,0,0,1,0,0|2,0,1]=4 9786 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,0,0,1,0,0|0,0,2]=3 9787 B13R2.3 C1=C(OCCC1)c2ccccn2 271570a_100010177797_100011216584 [0,0,0,1,0,0|1,0,2]=4 9788 B13R2.3 C1=C(OCCC1)c2cccnc2 271570a_100010177797_100000752921 [0,0,0,1,0,0|1,0,2]=4 9789 B13R2.3 C1=C(OCCC1)c2ccncc2 271570a_100010177797_100000035832 [0,0,0,1,0,0|1,0,2]=4 9790 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,0,0,1,0,0|2,0,0]=3 9791 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,0,0,1,0,0|2,0,0]=3 9792 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,0,0,1,0,0|2,0,0]=3 9793 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,0,0,1,0,0|3,0,0]=4 9794 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,0,0,1,0,0|3,0,0]=4 9795 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [0,0,0,1,0,0|3,0,0]=4 9796 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [0,0,0,1,0,0|3,0,0]=4 9797 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [0,0,0,1,0,0|3,0,0]=4 9798 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [0,0,0,1,0,0|3,0,0]=4 9799 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 9800 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 9801 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 9802 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,0,0,1,0,0|3,0,0]=4 9803 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,0,0,1,0,0|2,0,0]=3 9804 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,0,0,1,0,0|2,0,0]=3 9805 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,0,0,1,0,0|2,0,0]=3 9806 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,0,0,1,0,0|3,0,0]=4 9807 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,0,0,1,0,0|3,0,0]=4 9808 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [0,0,0,1,0,0|3,0,0]=4 9809 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [0,0,0,1,0,0|3,0,0]=4 9810 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [0,0,0,1,0,0|3,0,0]=4 9811 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [0,0,0,1,0,0|3,0,0]=4 9812 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 9813 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 9814 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 9815 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,0,0,1,0,0|3,0,0]=4 9816 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,0,1,0,0|2,0,0]=3 9817 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,0,1,0,0|2,0,0]=3 9818 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 2230a_100025746932_100000721315 [0,0,0,1,0,0|3,0,0]=4 9819 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccn2 34a_100025746932_100000721315 [0,0,0,1,0,0|3,0,0]=4 9820 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 2230a_100025746932_100000741622 [0,0,0,1,0,0|3,0,0]=4 9821 B13R2.17 F[C@@H]1C[C@H]1NCc2cccnc2 34a_100025746932_100000733263 [0,0,0,1,0,0|3,0,0]=4 9822 B13R2.17 F[C@@H]1C[C@H]1NCc2ccncc2 2230a_100025746932_100015193705 [0,0,0,1,0,0|3,0,0]=4 9823 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,0,1,0,0|2,0,0]=3 9824 B13R2.17 F[C@H]1C[C@H]1NCc2ccccn2 2230a_100015190264_100000721315 [0,0,0,1,0,0|3,0,0]=4 9825 B13R2.17 F[C@H]1C[C@H]1NCc2cccnc2 2230a_100015190264_100000741622 [0,0,0,1,0,0|3,0,0]=4 9826 B13R2.17 F[C@H]1C[C@H]1NCc2ccncc2 2230a_100015190264_100015193705 [0,0,0,1,0,0|3,0,0]=4 9827 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,0,0,1,0,0|2,0,0]=3 9828 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,0,0,1,0,0|2,0,0]=3 9829 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,0,0,1,0,0|2,0,0]=3 9830 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,0,0,1,0,0|2,0,0]=3 9831 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,0,0,1,0,0|3,0,0]=4 9832 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,0,0,1,0,0|3,0,0]=4 9833 B13R2.25 FCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015361967 [0,0,0,1,0,0|2,0,0]=3 9834 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,0,0,1,0,0|2,0,0]=3 9835 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,0,0,1,0,0|2,0,0]=3 9836 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,0,0,1,0,0|3,0,0]=4 9837 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,0,0,1,0,0|3,0,0]=4 9838 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,0,1,0,0|2,0,0]=3 9839 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,0,1,0,0|2,0,0]=3 9840 B13R2.27 CC1CCN1Cc2ccccn2 269982a_100000755817_100000721315 [0,0,0,1,0,0|3,0,0]=4 9841 B13R2.27 CC1CCN1Cc2ccccn2 34a_100000755817_100000721315 [0,0,0,1,0,0|3,0,0]=4 9842 B13R2.27 CC1CCN1Cc2cccnc2 269982a_100000755817_100000733263 [0,0,0,1,0,0|3,0,0]=4 9843 B13R2.27 CC1CCN1Cc2cccnc2 34a_100000755817_100000733263 [0,0,0,1,0,0|3,0,0]=4 9844 B13R2.27 CC1CCN1Cc2ccncc2 269982a_100000755817_100015193705 [0,0,0,1,0,0|3,0,0]=4 9845 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,0|1,0,2]=4 9846 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,0|1,0,2]=4 9847 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,0|1,0,2]=4 9848 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,0|1,0,2]=4 9849 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,0|1,0,2]=4 9850 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,0,0,1,0,0|2,0,0]=3 9851 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,0,0,1,0,0|2,0,0]=3 9852 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,0,0,1,0,0|2,0,0]=3 9853 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100015361967 [0,0,0,1,0,0|2,0,0]=3 9854 B13R2.50 FCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015361967 [0,0,0,1,0,0|2,0,0]=3 9855 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,0,0,1,0,0|2,0,0]=3 9856 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,0,0,1,0,0|2,0,0]=3 9857 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,0,0,1,0,0|2,0,0]=3 9858 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,0,0,1,0,0|1,0,2]=4 9859 B13R2.64 c1cc(ccn1)CN2CCCC2 2230a_100000188435_100015193705 [0,0,0,1,0,0|3,0,0]=4 9860 B13R2.64 c1cc(ccn1)CN2CCCC2 269982a_100000188435_100015193705 [0,0,0,1,0,0|3,0,0]=4 9861 B13R2.64 c1cc(ccn1)OC2CCCC2 34a_100000212176_100000179811 [0,0,0,1,0,0|3,0,0]=4 9862 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100000728582_100000179811 [0,0,0,1,0,0|3,0,0]=4 9863 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100011217020_100000728582 [0,0,0,1,0,0|3,0,0]=4 9864 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,0,0,1,0,0|2,0,0]=3 9865 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,0,0,1,0,0|2,0,0]=3 9866 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,0,0,1,0,0|2,0,0]=3 9867 B13R2.64 c1ccc(cc1)CN2CCSC2 2230a_100011215254_100015291786 [0,0,0,1,0,0|3,0,0]=4 9868 B13R2.64 c1ccc(cc1)CN2CCSC2 269982a_100011215254_100000211182 [0,0,0,1,0,0|3,0,0]=4 9869 B13R2.64 c1ccc(cc1)CN2CCSC2 270004a_100011215254_100015611070 [0,0,0,1,0,0|3,0,0]=4 9870 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,1,0,0|2,0,0]=3 9871 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,0,0,1,0,0|3,0,0]=4 9872 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,1,0,0|2,0,0]=3 9873 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,1,0,0|2,0,0]=3 9874 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,0,0,1,0,0|3,0,0]=4 9875 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,0,0,1,0,0|3,0,0]=4 9876 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,1,0,0|2,0,0]=3 9877 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,1,0,0|2,0,0]=3 9878 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,0,0,1,0,0|3,0,0]=4 9879 B13R2.64 c1ccc(nc1)CN2CCCC2 2230a_100000188435_100000721315 [0,0,0,1,0,0|3,0,0]=4 9880 B13R2.64 c1ccc(nc1)CN2CCCC2 269982a_100000188435_100000721315 [0,0,0,1,0,0|3,0,0]=4 9881 B13R2.64 c1ccc(nc1)CN2CCCC2 270004a_100000188435_100000209966 [0,0,0,1,0,0|3,0,0]=4 9882 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011216584_100000179811 [0,0,0,1,0,0|3,0,0]=4 9883 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011217020_100011216584 [0,0,0,1,0,0|3,0,0]=4 9884 B13R2.64 c1cncc(c1)CN2CCCC2 2230a_100000188435_100000741622 [0,0,0,1,0,0|3,0,0]=4 9885 B13R2.64 c1cncc(c1)CN2CCCC2 269982a_100000188435_100000733263 [0,0,0,1,0,0|3,0,0]=4 9886 B13R2.64 c1cncc(c1)CN2CCCC2 270004a_100000188435_100000209961 [0,0,0,1,0,0|3,0,0]=4 9887 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,0,0,1,0,0|3,0,0]=4 9888 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,0,0,1,0,0|3,0,0]=4 9889 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,0,0,1,0,0|3,0,0]=4 9890 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,0,0,1,0,0|3,0,0]=4 9891 B13R2.1028 C#CCSC1Cc2c1cccc2 62a_100000038162_100009813401 [0,0,0,1,0,0|2,0,1]=4 9892 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100000210623_100009813401 [0,0,0,1,0,0|2,0,1]=4 9893 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100009813401_100000210623 [0,0,0,1,0,0|2,0,1]=4 9894 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,0,0,1,0,0|2,0,0]=3 9895 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,0,0,1,0,0|2,0,0]=3 9896 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,0,0,1,0,0|2,0,0]=3 9897 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,0,0,1,0,0|2,0,0]=3 9898 B13R2.1028 COCSC1Cc2c1cccc2 62a_100000766300_100009813401 [0,0,0,1,0,0|3,0,0]=4 9899 B13R2.1028 COCSC1Cc2c1cccc2 62a_100009813401_100000766300 [0,0,0,1,0,0|3,0,0]=4 9900 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100009813401_100011218213 [0,0,0,1,0,0|3,0,0]=4 9901 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100011218213_100009813401 [0,0,0,1,0,0|3,0,0]=4 9902 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100009813401_100011217306 [0,0,0,1,0,0|2,0,0]=3 9903 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100011217306_100009813401 [0,0,0,1,0,0|2,0,0]=3 9904 B13R2.1028 FCOCC1Cc2c1cccc2 34a_100012476685_100015361967 [0,0,0,1,0,0|2,0,0]=3 9905 B13R2.1028 FCOCC1Cc2c1cccc2 7a_100012476685_100015361967 [0,0,0,1,0,0|2,0,0]=3 9906 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100009813401_100011215382 [0,0,0,1,0,0|2,0,1]=4 9907 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100011215382_100009813401 [0,0,0,1,0,0|2,0,1]=4 9908 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_100009813401_200015260668 [0,0,0,1,0,0|1,0,2]=4 9909 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_200015260668_100009813401 [0,0,0,1,0,0|1,0,2]=4 9910 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100000211926_100009813401 [0,0,0,1,0,0|1,0,0]=2 9911 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100009813401_100000211926 [0,0,0,1,0,0|1,0,0]=2 9912 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,0,0,1,0,0|2,0,0]=3 9913 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,0,0,1,0,0|3,0,0]=4 9914 B13R2.1613 CNC1CCCc2c1ccnc2 2230a_100020634316_200000210301 [0,0,0,1,0,0|3,0,0]=4 9915 B13R2.1613 CNC1CCCc2c1ccnc2 269862a_106832991636_100000087567 [0,0,0,1,0,0|3,0,0]=4 9916 B13R2.1613 CNC1CCCc2c1cncc2 269862a_106832991636_100016991936 [0,0,0,1,0,0|3,0,0]=4 9917 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,0,0,1,0,0|3,0,0]=4 9918 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,0,0,1,0,0|3,0,0]=4 9919 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,0,0,1,0,0|3,0,0]=4 9920 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,0,0,1,0,0|3,0,0]=4 9921 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,0,0,1,0,0|3,0,0]=4 9922 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,0,0,1,0,0|2,0,0]=3 9923 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,0,0,1,0,0|2,0,0]=3 9924 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,0,0,1,0,0|2,0,0]=3 9925 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,0,0,1,0,0|3,0,0]=4 9926 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,0,0,1,0,0|3,0,0]=4 9927 B13R2.1613 [13CH3]NC1CCCc2c1ccnc2 2230a_100020634316_200025704644 [0,0,0,1,0,0|3,0,0]=4 9928 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,0,0,1,0,0|3,0,0]=4 9929 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,0,0,1,0,0|3,0,0]=4 9930 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,0,0,1,0,0|2,0,0]=3 9931 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,0,0,1,0,0|2,0,0]=3 9932 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,0,0,1,0,0|2,0,0]=3 9933 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,0,0,1,0,0|3,0,0]=4 9934 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,0,0,1,0,0|3,0,0]=4 9935 B13R2.2382 c1cc(ccn1)CCOC2CC2 34a_100011216225_100000211595 [0,0,0,1,0,0|3,0,0]=4 9936 B13R2.2382 c1cc(ccn1)CCSC2CC2 62a_100000723409_100000211595 [0,0,0,1,0,0|3,0,0]=4 9937 B13R2.2382 c1cc(ccn1)CNCC2CC2 207a_100000735609_100000186114 [0,0,0,1,0,0|3,0,0]=4 9938 B13R2.2382 c1cc(ccn1)CNCC2CC2 2230a_100000735609_100015193705 [0,0,0,1,0,0|3,0,0]=4 9939 B13R2.2382 c1cc(ccn1)CNCC2CC2 269862a_100000210450_100000741477 [0,0,0,1,0,0|3,0,0]=4 9940 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100000756562_100015193705 [0,0,0,1,0,0|3,0,0]=4 9941 B13R2.2382 c1cc(ccn1)CSCC2CC2 62a_100015193705_100000742324 [0,0,0,1,0,0|3,0,0]=4 9942 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_100015193705_102125554688 [0,0,0,1,0,0|2,0,0]=3 9943 B13R2.2382 c1cc(ccn1)CSCC2CO2 62a_102125554688_100015193705 [0,0,0,1,0,0|2,0,0]=3 9944 B13R2.2382 c1cc(ccn1)CSCC2CS2 62a_100000031435_100015193705 [0,0,0,1,0,0|2,1,0]=4 9945 B13R2.2382 c1cc(ccn1)CSCC2CS2 62a_100015193705_100000031435 [0,0,0,1,0,0|2,1,0]=4 9946 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_100015193705 [0,0,0,1,0,0|2,0,0]=3 9947 B13R2.2382 c1cc(ccn1)CSC[C@@H]2CO2 62a_100015193705_100000745022 [0,0,0,1,0,0|2,0,0]=3 9948 B13R2.2382 c1cc(ccn1)OCCC2CC2 34a_100000212176_100000694398 [0,0,0,1,0,0|3,0,0]=4 9949 B13R2.2382 c1cc(ccn1)OCCC2CO2 34a_100000212176_100000732470 [0,0,0,1,0,0|2,0,0]=3 9950 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000728582_100000764125 [0,0,0,1,0,0|3,0,0]=4 9951 B13R2.2382 c1cc(ccn1)SCCC2CC2 62a_100000764125_100000728582 [0,0,0,1,0,0|3,0,0]=4 9952 B13R2.2382 c1cc(ccn1)SCCC2CO2 62a_100000728582_100000732470 [0,0,0,1,0,0|2,0,0]=3 9953 B13R2.2382 c1cc(ccn1)SCCC2CO2 62a_100000732470_100000728582 [0,0,0,1,0,0|2,0,0]=3 9954 B13R2.2382 c1cc(cnn1)OCCC2CO2 34a_100015204005_100000732470 [0,0,0,1,0,0|3,0,0]=4 9955 B13R2.2382 c1cc(cnn1)SCCC2CO2 62a_100000732470_100000732662 [0,0,0,1,0,0|3,0,0]=4 9956 B13R2.2382 c1cc(cnn1)SCCC2CO2 62a_100000732662_100000732470 [0,0,0,1,0,0|3,0,0]=4 9957 B13R2.2382 c1cc(ncn1)SCCC2CO2 62a_100000703185_100000732470 [0,0,0,1,0,0|3,0,0]=4 9958 B13R2.2382 c1cc(ncn1)SCCC2CO2 62a_100000732470_100000703185 [0,0,0,1,0,0|3,0,0]=4 9959 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000106460_100000211595 [0,0,0,1,0,0|2,0,0]=3 9960 B13R2.2382 c1ccc(cc1)CCNC2CC2 34a_100000212008_100000765856 [0,0,0,1,0,0|2,0,0]=3 9961 B13R2.2382 c1ccc(cc1)CCOC2CC2 34a_100000210268_100000211595 [0,0,0,1,0,0|2,0,0]=3 9962 B13R2.2382 c1ccc(cc1)CCSC2CC2 62a_100000765856_100000211595 [0,0,0,1,0,0|2,0,0]=3 9963 B13R2.2382 c1ccc(cc1)CNCC2CC2 207a_100000735609_100015611070 [0,0,0,1,0,0|2,0,0]=3 9964 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100000735609_100015291786 [0,0,0,1,0,0|2,0,0]=3 9965 B13R2.2382 c1ccc(cc1)CNCC2CC2 2230a_100015324214_100000742324 [0,0,0,1,0,0|2,0,0]=3 9966 B13R2.2382 c1ccc(cc1)CNCC2CC2 269862a_100015324214_100000741477 [0,0,0,1,0,0|2,0,0]=3 9967 B13R2.2382 c1ccc(cc1)CNCC2CC2 270004a_100000735609_100015611070 [0,0,0,1,0,0|2,0,0]=3 9968 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100000735609_100015291786 [0,0,0,1,0,0|2,0,0]=3 9969 B13R2.2382 c1ccc(cc1)CNCC2CC2 34a_100015324214_100000742324 [0,0,0,1,0,0|2,0,0]=3 9970 B13R2.2382 c1ccc(cc1)CNCC2CO2 2230a_100015324214_100011216344 [0,0,0,1,0,0|1,0,0]=2 9971 B13R2.2382 c1ccc(cc1)CNCC2CO2 34a_100015324214_102125554688 [0,0,0,1,0,0|1,0,0]=2 9972 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000210790_100000742324 [0,0,0,1,0,0|2,0,0]=3 9973 B13R2.2382 c1ccc(cc1)COCC2CC2 34a_100000211283_100015291786 [0,0,0,1,0,0|2,0,0]=3 9974 B13R2.2382 c1ccc(cc1)COCC2CC2 7a_100000210790_100000742324 [0,0,0,1,0,0|2,0,0]=3 9975 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,0,0,1,0,0|1,0,0]=2 9976 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,0,0,1,0,0|1,0,0]=2 9977 B13R2.2382 c1ccc(cc1)COCC2CS2 7a_100000210790_100000031435 [0,0,0,1,0,0|1,1,0]=3 9978 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,0,0,1,0,0|1,0,0]=2 9979 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,0,0,1,0,0|1,0,0]=2 9980 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000211182_100000742324 [0,0,0,1,0,0|2,0,0]=3 9981 B13R2.2382 c1ccc(cc1)CSCC2CC2 62a_100000756562_100015291786 [0,0,0,1,0,0|2,0,0]=3 9982 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_100000211182_102125554688 [0,0,0,1,0,0|1,0,0]=2 9983 B13R2.2382 c1ccc(cc1)CSCC2CO2 62a_102125554688_100015291786 [0,0,0,1,0,0|1,0,0]=2 9984 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000031435_100015291786 [0,0,0,1,0,0|1,1,0]=3 9985 B13R2.2382 c1ccc(cc1)CSCC2CS2 62a_100000211182_100000031435 [0,0,0,1,0,0|1,1,0]=3 9986 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000211182_100000745022 [0,0,0,1,0,0|1,0,0]=2 9987 B13R2.2382 c1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100015291786 [0,0,0,1,0,0|1,0,0]=2 9988 B13R2.2382 c1ccc(cc1)NCCC2CC2 34a_100000106764_100000694398 [0,0,0,1,0,0|2,0,0]=3 9989 B13R2.2382 c1ccc(cc1)NCCC2CO2 34a_100000106764_100000732470 [0,0,0,1,0,0|1,0,0]=2 9990 B13R2.2382 c1ccc(cc1)OCCC2CC2 34a_100000210340_100000694398 [0,0,0,1,0,0|2,0,0]=3 9991 B13R2.2382 c1ccc(cc1)OCCC2CC2 7a_100000210340_100000764125 [0,0,0,1,0,0|2,0,0]=3 9992 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,0,0,1,0,0|1,0,0]=2 9993 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,0,0,1,0,0|1,0,0]=2 9994 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000719477_100000764125 [0,0,0,1,0,0|2,0,0]=3 9995 B13R2.2382 c1ccc(cc1)SCCC2CC2 62a_100000764125_100000041952 [0,0,0,1,0,0|2,0,0]=3 9996 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000719477_100000732470 [0,0,0,1,0,0|1,0,0]=2 9997 B13R2.2382 c1ccc(cc1)SCCC2CO2 62a_100000732470_100000041952 [0,0,0,1,0,0|1,0,0]=2 9998 B13R2.2382 c1ccc(cc1)SCSC2CC2 62a_100011218342_100000211595 [0,0,0,1,0,0|3,0,0]=4 9999 B13R2.2382 c1ccc(nc1)CCOC2CC2 34a_100000210271_100000211595 [0,0,0,1,0,0|3,0,0]=4 10000 B13R2.2382 c1ccc(nc1)CCSC2CC2 62a_100015183660_100000211595 [0,0,0,1,0,0|3,0,0]=4 10001 B13R2.2382 c1ccc(nc1)CNCC2CC2 207a_100000735609_100000209966 [0,0,0,1,0,0|3,0,0]=4 10002 B13R2.2382 c1ccc(nc1)CNCC2CC2 2230a_100000735609_100000721315 [0,0,0,1,0,0|3,0,0]=4 10003 B13R2.2382 c1ccc(nc1)CNCC2CC2 270004a_100000735609_100000209966 [0,0,0,1,0,0|3,0,0]=4 10004 B13R2.2382 c1ccc(nc1)CNCC2CC2 34a_100000735609_100000721315 [0,0,0,1,0,0|3,0,0]=4 10005 B13R2.2382 c1ccc(nc1)COCC2CC2 34a_100000211283_100000721315 [0,0,0,1,0,0|3,0,0]=4 10006 B13R2.2382 c1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000721315 [0,0,0,1,0,0|2,0,0]=3 10007 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000721315_100000742324 [0,0,0,1,0,0|3,0,0]=4 10008 B13R2.2382 c1ccc(nc1)CSCC2CC2 62a_100000756562_100000721315 [0,0,0,1,0,0|3,0,0]=4 10009 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_100000721315_102125554688 [0,0,0,1,0,0|2,0,0]=3 10010 B13R2.2382 c1ccc(nc1)CSCC2CO2 62a_102125554688_100000721315 [0,0,0,1,0,0|2,0,0]=3 10011 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000031435_100000721315 [0,0,0,1,0,0|2,1,0]=4 10012 B13R2.2382 c1ccc(nc1)CSCC2CS2 62a_100000721315_100000031435 [0,0,0,1,0,0|2,1,0]=4 10013 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000721315_100000745022 [0,0,0,1,0,0|2,0,0]=3 10014 B13R2.2382 c1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000721315 [0,0,0,1,0,0|2,0,0]=3 10015 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100000764125_100011216584 [0,0,0,1,0,0|3,0,0]=4 10016 B13R2.2382 c1ccc(nc1)SCCC2CC2 62a_100011216584_100000764125 [0,0,0,1,0,0|3,0,0]=4 10017 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100000732470_100011216584 [0,0,0,1,0,0|2,0,0]=3 10018 B13R2.2382 c1ccc(nc1)SCCC2CO2 62a_100011216584_100000732470 [0,0,0,1,0,0|2,0,0]=3 10019 B13R2.2382 c1cnc(cn1)COC[C@@H]2CO2 34a_100000757423_100016995436 [0,0,0,1,0,0|3,0,0]=4 10020 B13R2.2382 c1cnc(cn1)CSCC2CO2 62a_100016995436_102125554688 [0,0,0,1,0,0|3,0,0]=4 10021 B13R2.2382 c1cnc(cn1)CSCC2CO2 62a_102125554688_100016995436 [0,0,0,1,0,0|3,0,0]=4 10022 B13R2.2382 c1cnc(cn1)CSC[C@@H]2CO2 62a_100000745022_100016995436 [0,0,0,1,0,0|3,0,0]=4 10023 B13R2.2382 c1cnc(cn1)CSC[C@@H]2CO2 62a_100016995436_100000745022 [0,0,0,1,0,0|3,0,0]=4 10024 B13R2.2382 c1cnc(cn1)SCCC2CO2 62a_100000211759_100000732470 [0,0,0,1,0,0|3,0,0]=4 10025 B13R2.2382 c1cnc(cn1)SCCC2CO2 62a_100000732470_100000211759 [0,0,0,1,0,0|3,0,0]=4 10026 B13R2.2382 c1cnc(nc1)COC[C@@H]2CO2 34a_100000757423_100000703007 [0,0,0,1,0,0|3,0,0]=4 10027 B13R2.2382 c1cnc(nc1)CSCC2CO2 62a_100000703007_102125554688 [0,0,0,1,0,0|3,0,0]=4 10028 B13R2.2382 c1cnc(nc1)CSCC2CO2 62a_102125554688_100000703007 [0,0,0,1,0,0|3,0,0]=4 10029 B13R2.2382 c1cnc(nc1)CSC[C@@H]2CO2 62a_100000703007_100000745022 [0,0,0,1,0,0|3,0,0]=4 10030 B13R2.2382 c1cnc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000703007 [0,0,0,1,0,0|3,0,0]=4 10031 B13R2.2382 c1cnc(nc1)SCCC2CO2 62a_100000211032_100000732470 [0,0,0,1,0,0|3,0,0]=4 10032 B13R2.2382 c1cnc(nc1)SCCC2CO2 62a_100000732470_100000211032 [0,0,0,1,0,0|3,0,0]=4 10033 B13R2.2382 c1cncc(c1)CCOC2CC2 34a_100011217484_100000211595 [0,0,0,1,0,0|3,0,0]=4 10034 B13R2.2382 c1cncc(c1)CCSC2CC2 62a_200011713674_100000211595 [0,0,0,1,0,0|3,0,0]=4 10035 B13R2.2382 c1cncc(c1)CNCC2CC2 207a_100000735609_100000209961 [0,0,0,1,0,0|3,0,0]=4 10036 B13R2.2382 c1cncc(c1)CNCC2CC2 2230a_100000735609_100000741622 [0,0,0,1,0,0|3,0,0]=4 10037 B13R2.2382 c1cncc(c1)CNCC2CC2 269862a_100000210453_100000741477 [0,0,0,1,0,0|3,0,0]=4 10038 B13R2.2382 c1cncc(c1)CNCC2CC2 270004a_100000735609_100000209961 [0,0,0,1,0,0|3,0,0]=4 10039 B13R2.2382 c1cncc(c1)CNCC2CC2 34a_100000735609_100000733263 [0,0,0,1,0,0|3,0,0]=4 10040 B13R2.2382 c1cncc(c1)COCC2CC2 34a_100000211283_100000733263 [0,0,0,1,0,0|3,0,0]=4 10041 B13R2.2382 c1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000733263 [0,0,0,1,0,0|2,0,0]=3 10042 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000741622_100000742324 [0,0,0,1,0,0|3,0,0]=4 10043 B13R2.2382 c1cncc(c1)CSCC2CC2 62a_100000756562_100000741622 [0,0,0,1,0,0|3,0,0]=4 10044 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_100000741622_102125554688 [0,0,0,1,0,0|2,0,0]=3 10045 B13R2.2382 c1cncc(c1)CSCC2CO2 62a_102125554688_100000741622 [0,0,0,1,0,0|2,0,0]=3 10046 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000031435_100000741622 [0,0,0,1,0,0|2,1,0]=4 10047 B13R2.2382 c1cncc(c1)CSCC2CS2 62a_100000741622_100000031435 [0,0,0,1,0,0|2,1,0]=4 10048 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000741622_100000745022 [0,0,0,1,0,0|2,0,0]=3 10049 B13R2.2382 c1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000741622 [0,0,0,1,0,0|2,0,0]=3 10050 B13R2.2382 c1cncc(c1)OCCC2CC2 34a_100000210849_100000694398 [0,0,0,1,0,0|3,0,0]=4 10051 B13R2.2382 c1cncc(c1)OCCC2CC2 7a_100000210849_100000764125 [0,0,0,1,0,0|3,0,0]=4 10052 B13R2.2382 c1cncc(c1)OCCC2CO2 34a_100000210849_100000732470 [0,0,0,1,0,0|2,0,0]=3 10053 B13R2.2382 c1cncc(c1)OCCC2CO2 7a_100000210849_100000732470 [0,0,0,1,0,0|2,0,0]=3 10054 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000210063_100000764125 [0,0,0,1,0,0|3,0,0]=4 10055 B13R2.2382 c1cncc(c1)SCCC2CC2 62a_100000764125_100000210063 [0,0,0,1,0,0|3,0,0]=4 10056 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000210063_100000732470 [0,0,0,1,0,0|2,0,0]=3 10057 B13R2.2382 c1cncc(c1)SCCC2CO2 62a_100000732470_100000210063 [0,0,0,1,0,0|2,0,0]=3 10058 B13R2.2382 c1cnnc(c1)CNCC2CO2 2230a_100159270163_100011216344 [0,0,0,1,0,0|3,0,0]=4 10059 B13R2.2382 c1cnnc(c1)COC[C@@H]2CO2 34a_100000757423_100016990269 [0,0,0,1,0,0|3,0,0]=4 10060 B13R2.2382 c1cnnc(c1)CSCC2CO2 62a_100016990269_102125554688 [0,0,0,1,0,0|3,0,0]=4 10061 B13R2.2382 c1cnnc(c1)CSCC2CO2 62a_102125554688_100016990269 [0,0,0,1,0,0|3,0,0]=4 10062 B13R2.2382 c1cnnc(c1)CSC[C@@H]2CO2 62a_100000745022_100016990269 [0,0,0,1,0,0|3,0,0]=4 10063 B13R2.2382 c1cnnc(c1)CSC[C@@H]2CO2 62a_100016990269_100000745022 [0,0,0,1,0,0|3,0,0]=4 10064 B13R2.2382 c1cnnc(c1)SCCC2CO2 62a_100000732470_100016991348 [0,0,0,1,0,0|3,0,0]=4 10065 B13R2.2382 c1cnnc(c1)SCCC2CO2 62a_100016991348_100000732470 [0,0,0,1,0,0|3,0,0]=4 10066 B13R2.2382 c1ncc(cn1)CNCC2CO2 2230a_100011243677_100011216344 [0,0,0,1,0,0|3,0,0]=4 10067 B13R2.2382 c1ncc(cn1)COC[C@@H]2CO2 34a_100000757423_100015196519 [0,0,0,1,0,0|3,0,0]=4 10068 B13R2.2382 c1ncc(cn1)CSCC2CO2 62a_100015196519_102125554688 [0,0,0,1,0,0|3,0,0]=4 10069 B13R2.2382 c1ncc(cn1)CSCC2CO2 62a_102125554688_100015196519 [0,0,0,1,0,0|3,0,0]=4 10070 B13R2.2382 c1ncc(cn1)CSC[C@@H]2CO2 62a_100000745022_100015196519 [0,0,0,1,0,0|3,0,0]=4 10071 B13R2.2382 c1ncc(cn1)CSC[C@@H]2CO2 62a_100015196519_100000745022 [0,0,0,1,0,0|3,0,0]=4 10072 B13R2.2382 c1ncc(cn1)OCCC2CO2 7a_100000754086_100000732470 [0,0,0,1,0,0|3,0,0]=4 10073 B13R2.2382 c1ncc(cn1)SCCC2CO2 62a_100000732470_100011206942 [0,0,0,1,0,0|3,0,0]=4 10074 B13R2.2382 c1ncc(cn1)SCCC2CO2 62a_100011206942_100000732470 [0,0,0,1,0,0|3,0,0]=4 10075 B13R2.2383 c1cc(ccn1)CCN2CCC2 269982a_100000754969_100000723409 [0,0,0,1,0,0|3,0,0]=4 10076 B13R2.2383 c1cc(ccn1)CNC2CCC2 2230a_100000749019_100015193705 [0,0,0,1,0,0|3,0,0]=4 10077 B13R2.2383 c1cc(ccn1)CSC2CCC2 62a_100015193705_100000749161 [0,0,0,1,0,0|3,0,0]=4 10078 B13R2.2383 c1cc(ccn1)OCC2CCC2 34a_100000212176_100000763275 [0,0,0,1,0,0|3,0,0]=4 10079 B13R2.2383 c1cc(ccn1)OCC2CCO2 34a_100000212176_100000103362 [0,0,0,1,0,0|2,0,0]=3 10080 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000728582_100000763275 [0,0,0,1,0,0|3,0,0]=4 10081 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000763275_100000728582 [0,0,0,1,0,0|3,0,0]=4 10082 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000103362_100000728582 [0,0,0,1,0,0|2,0,0]=3 10083 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000728582_100000103362 [0,0,0,1,0,0|2,0,0]=3 10084 B13R2.2383 c1cc(cnn1)OCC2CCO2 34a_100015204005_100000103362 [0,0,0,1,0,0|3,0,0]=4 10085 B13R2.2383 c1cc(cnn1)SCC2CCO2 62a_100000103362_100000732662 [0,0,0,1,0,0|3,0,0]=4 10086 B13R2.2383 c1cc(cnn1)SCC2CCO2 62a_100000732662_100000103362 [0,0,0,1,0,0|3,0,0]=4 10087 B13R2.2383 c1cc(ncn1)NC[C@@H]2CCO2 27a_100020831831_100000703185 [0,0,0,1,0,0|3,0,0]=4 10088 B13R2.2383 c1cc(ncn1)SCC2CCO2 62a_100000103362_100000703185 [0,0,0,1,0,0|3,0,0]=4 10089 B13R2.2383 c1cc(ncn1)SCC2CCO2 62a_100000703185_100000103362 [0,0,0,1,0,0|3,0,0]=4 10090 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,0,0,1,0,0|2,0,0]=3 10091 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,0,1,0,0|2,0,0]=3 10092 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,0,1,0,0|2,0,0]=3 10093 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,0,1,0,0|2,0,0]=3 10094 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,0,1,0,0|2,0,0]=3 10095 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,0,0,1,0,0|3,0,0]=4 10096 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,0,0,1,0,0|3,0,0]=4 10097 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,0,0,1,0,0|3,0,0]=4 10098 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,0,0,1,0,0|3,0,0]=4 10099 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,0,0,1,0,0|3,0,0]=4 10100 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,0,0,1,0,0|3,0,0]=4 10101 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,0,1,0,0|2,0,0]=3 10102 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,0,1,0,0|2,0,0]=3 10103 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,0,0,1,0,0|3,0,0]=4 10104 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,0,0,1,0,0|3,0,0]=4 10105 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,0,0,1,0,0|3,0,0]=4 10106 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,0,1,0,0|2,0,0]=3 10107 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,0,0,1,0,0|3,0,0]=4 10108 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,0,0,1,0,0|2,0,0]=3 10109 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,0,0,1,0,0|1,0,0]=2 10110 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,0,0,1,0,0|3,0,0]=4 10111 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,0,0,1,0,0|2,0,0]=3 10112 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,0,0,1,0,0|2,0,0]=3 10113 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,0,0,1,0,0|1,0,0]=2 10114 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,0,0,1,0,0|1,0,0]=2 10115 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,0,0,1,0,0|3,0,0]=4 10116 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,0,0,1,0,0|3,0,0]=4 10117 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,0,0,1,0,0|2,0,0]=3 10118 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,0,0,1,0,0|2,0,0]=3 10119 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,0,0,1,0,0|1,0,0]=2 10120 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,0,0,1,0,0|1,0,0]=2 10121 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,0,0,1,0,0|3,0,0]=4 10122 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,0,0,1,0,0|3,0,0]=4 10123 B13R2.2383 c1ccc(cc1)SCN2CCC2 269982a_100000754969_100011218342 [0,0,0,1,0,0|3,0,0]=4 10124 B13R2.2383 c1ccc(nc1)CCN2CCC2 269982a_100000754969_100015183660 [0,0,0,1,0,0|3,0,0]=4 10125 B13R2.2383 c1ccc(nc1)CNC2CCC2 2230a_100000749019_100000721315 [0,0,0,1,0,0|3,0,0]=4 10126 B13R2.2383 c1ccc(nc1)CNC2CCC2 270004a_100000210449_100000241760 [0,0,0,1,0,0|3,0,0]=4 10127 B13R2.2383 c1ccc(nc1)CNC2CCC2 34a_100000749019_100000721315 [0,0,0,1,0,0|3,0,0]=4 10128 B13R2.2383 c1ccc(nc1)COC2CCC2 34a_100000748187_100000721315 [0,0,0,1,0,0|3,0,0]=4 10129 B13R2.2383 c1ccc(nc1)CSC2CCC2 62a_100000721315_100000749161 [0,0,0,1,0,0|3,0,0]=4 10130 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100000763275_100011216584 [0,0,0,1,0,0|3,0,0]=4 10131 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100011216584_100000763275 [0,0,0,1,0,0|3,0,0]=4 10132 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100000103362_100011216584 [0,0,0,1,0,0|2,0,0]=3 10133 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100011216584_100000103362 [0,0,0,1,0,0|2,0,0]=3 10134 B13R2.2383 c1cnc(cn1)NC[C@@H]2CCO2 27a_100020831831_100000211759 [0,0,0,1,0,0|3,0,0]=4 10135 B13R2.2383 c1cnc(cn1)SCC2CCO2 62a_100000103362_100000211759 [0,0,0,1,0,0|3,0,0]=4 10136 B13R2.2383 c1cnc(cn1)SCC2CCO2 62a_100000211759_100000103362 [0,0,0,1,0,0|3,0,0]=4 10137 B13R2.2383 c1cnc(nc1)NC[C@@H]2CCO2 27a_100020831831_100000211032 [0,0,0,1,0,0|3,0,0]=4 10138 B13R2.2383 c1cnc(nc1)SCC2CCO2 62a_100000103362_100000211032 [0,0,0,1,0,0|3,0,0]=4 10139 B13R2.2383 c1cnc(nc1)SCC2CCO2 62a_100000211032_100000103362 [0,0,0,1,0,0|3,0,0]=4 10140 B13R2.2383 c1cncc(c1)CCN2CCC2 269982a_100000754969_200011713674 [0,0,0,1,0,0|3,0,0]=4 10141 B13R2.2383 c1cncc(c1)CNC2CCC2 2230a_100000749019_100000741622 [0,0,0,1,0,0|3,0,0]=4 10142 B13R2.2383 c1cncc(c1)CNC2CCC2 270004a_100000210453_100000241760 [0,0,0,1,0,0|3,0,0]=4 10143 B13R2.2383 c1cncc(c1)CNC2CCC2 34a_100000749019_100000733263 [0,0,0,1,0,0|3,0,0]=4 10144 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,0,0,1,0,0|3,0,0]=4 10145 B13R2.2383 c1cncc(c1)CSC2CCC2 62a_100000741622_100000749161 [0,0,0,1,0,0|3,0,0]=4 10146 B13R2.2383 c1cncc(c1)OCC2CCC2 34a_100000210849_100000763275 [0,0,0,1,0,0|3,0,0]=4 10147 B13R2.2383 c1cncc(c1)OCC2CCC2 7a_100000210849_100000763275 [0,0,0,1,0,0|3,0,0]=4 10148 B13R2.2383 c1cncc(c1)OCC2CCO2 34a_100000210849_100000103362 [0,0,0,1,0,0|2,0,0]=3 10149 B13R2.2383 c1cncc(c1)OCC2CCO2 7a_100000210849_100000103362 [0,0,0,1,0,0|2,0,0]=3 10150 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000210063_100000763275 [0,0,0,1,0,0|3,0,0]=4 10151 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000763275_100000210063 [0,0,0,1,0,0|3,0,0]=4 10152 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000103362_100000210063 [0,0,0,1,0,0|2,0,0]=3 10153 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000210063_100000103362 [0,0,0,1,0,0|2,0,0]=3 10154 B13R2.2383 c1cnnc(c1)NC[C@@H]2CCO2 27a_100020831831_100016991348 [0,0,0,1,0,0|3,0,0]=4 10155 B13R2.2383 c1cnnc(c1)SCC2CCO2 62a_100000103362_100016991348 [0,0,0,1,0,0|3,0,0]=4 10156 B13R2.2383 c1cnnc(c1)SCC2CCO2 62a_100016991348_100000103362 [0,0,0,1,0,0|3,0,0]=4 10157 B13R2.2383 c1ncc(cn1)OCC2CCO2 7a_100000754086_100000103362 [0,0,0,1,0,0|3,0,0]=4 10158 B13R2.2383 c1ncc(cn1)SCC2CCO2 62a_100000103362_100011206942 [0,0,0,1,0,0|3,0,0]=4 10159 B13R2.2383 c1ncc(cn1)SCC2CCO2 62a_100011206942_100000103362 [0,0,0,1,0,0|3,0,0]=4 10160 B11R1.4 BrCCCOCc1ccsc1 34a_100011217188_100011261437 [0,0,0,0,1,0|3,0,0]=4 10161 B11R1.4 BrCCOCCc1cccs1 34a_100000211926_100000748579 [0,0,0,0,1,0|3,0,0]=4 10162 B11R1.4 CCCCCOc1ccsc1 34a_100000106738_100000718602 [0,0,0,0,1,0|3,0,0]=4 10163 B11R1.4 CCCCCOc1ccsc1 7a_100000106738_100000210326 [0,0,0,0,1,0|3,0,0]=4 10164 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,0,0,0,1,0|3,0,0]=4 10165 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,0,0,0,1,0|3,0,0]=4 10166 B11R1.4 CCCCCSc1cccs1 62a_100000210326_100011215356 [0,0,0,0,1,0|3,0,0]=4 10167 B11R1.4 CCCCCSc1cccs1 62a_100011215356_100000210326 [0,0,0,0,1,0|3,0,0]=4 10168 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [0,0,0,0,1,0|3,0,0]=4 10169 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [0,0,0,0,1,0|3,0,0]=4 10170 B11R1.4 CCCCCSc1ccsc1 62a_100000210326_100000738268 [0,0,0,0,1,0|3,0,0]=4 10171 B11R1.4 CCCCCSc1ccsc1 62a_100000738268_100000210326 [0,0,0,0,1,0|3,0,0]=4 10172 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,0,0,0,1,0|3,0,0]=4 10173 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,0,0,0,1,0|3,0,0]=4 10174 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,0,0,0,1,0|3,0,0]=4 10175 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,0,0,0,1,0|3,0,0]=4 10176 B11R1.4 CCCCNCc1cccs1 207a_100000102301_100000209959 [0,0,0,0,1,0|3,0,0]=4 10177 B11R1.4 CCCCNCc1cccs1 2230a_100000211653_100000210211 [0,0,0,0,1,0|3,0,0]=4 10178 B11R1.4 CCCCNCc1cccs1 270004a_100000102301_100000209959 [0,0,0,0,1,0|3,0,0]=4 10179 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [0,0,0,0,1,0|3,0,0]=4 10180 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [0,0,0,0,1,0|3,0,0]=4 10181 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [0,0,0,0,1,0|3,0,0]=4 10182 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [0,0,0,0,1,0|3,0,0]=4 10183 B11R1.4 CCCCNCc1ccsc1 207a_100000102301_100000188534 [0,0,0,0,1,0|3,0,0]=4 10184 B11R1.4 CCCCNCc1ccsc1 2230a_100000102301_100011261437 [0,0,0,0,1,0|3,0,0]=4 10185 B11R1.4 CCCCNCc1ccsc1 2230a_100000186416_100000210211 [0,0,0,0,1,0|3,0,0]=4 10186 B11R1.4 CCCCNCc1ccsc1 270004a_100000102301_100000188534 [0,0,0,0,1,0|3,0,0]=4 10187 B11R1.4 CCCCNCc1ccsc1 34a_100000186416_100000210210 [0,0,0,0,1,0|3,0,0]=4 10188 B11R1.4 CCCCNCc1ccsc1 7a_106832991798_100011261437 [0,0,0,0,1,0|3,0,0]=4 10189 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,0,0,0,1,0|3,0,0]=4 10190 B11R1.4 CCCCOCc1cccs1 34a_100000211240_100000210210 [0,0,0,0,1,0|3,0,0]=4 10191 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [0,0,0,0,1,0|3,0,0]=4 10192 B11R1.4 CCCCOCc1ccsc1 34a_100000210227_100011261437 [0,0,0,0,1,0|3,0,0]=4 10193 B11R1.4 CCCCOCc1ccsc1 34a_100011215551_100000210210 [0,0,0,0,1,0|3,0,0]=4 10194 B11R1.4 CCCCOCc1ccsc1 7a_100000210227_100011261437 [0,0,0,0,1,0|3,0,0]=4 10195 B11R1.4 CCCCSCc1ccsc1 62a_100000210211_100011233845 [0,0,0,0,1,0|3,0,0]=4 10196 B11R1.4 CCCCSCc1ccsc1 62a_100011261437_100000210210 [0,0,0,0,1,0|3,0,0]=4 10197 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,0,0,0,1,0|3,0,0]=4 10198 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,0,0,0,1,0|3,0,0]=4 10199 B11R1.4 CCCNCCc1cccs1 2230a_100000203755_100000210303 [0,0,0,0,1,0|3,0,0]=4 10200 B11R1.4 CCCNCCc1cccs1 34a_100000203755_100000210303 [0,0,0,0,1,0|3,0,0]=4 10201 B11R1.4 CCCNCCc1ccsc1 2230a_100000692642_100000210303 [0,0,0,0,1,0|3,0,0]=4 10202 B11R1.4 CCCNCCc1ccsc1 34a_100000692642_100000210303 [0,0,0,0,1,0|3,0,0]=4 10203 B11R1.4 CCCNCCn1cccc1 34a_100011368172_100000210303 [0,0,0,0,1,0|3,0,0]=4 10204 B11R1.4 CCCOCCc1cccs1 34a_100000210258_100000748579 [0,0,0,0,1,0|3,0,0]=4 10205 B11R1.4 CCCOCCc1cccs1 34a_100011216825_100000210303 [0,0,0,0,1,0|3,0,0]=4 10206 B11R1.4 CCCOCCc1cccs1 7a_100011216825_100000210303 [0,0,0,0,1,0|3,0,0]=4 10207 B11R1.4 CCCOCCc1ccsc1 34a_100000748821_100000210303 [0,0,0,0,1,0|3,0,0]=4 10208 B11R1.4 CCCOCCn1cccc1 34a_100000179382_100000210303 [0,0,0,0,1,0|3,0,0]=4 10209 B11R1.4 CCCSCCc1cccs1 62a_100000210303_100000748579 [0,0,0,0,1,0|3,0,0]=4 10210 B11R1.4 CCCSCCc1cccs1 62a_100000748579_100000210303 [0,0,0,0,1,0|3,0,0]=4 10211 B11R1.4 CCCSCCn1cccc1 62a_100000210303_200000035178 [0,0,0,0,1,0|3,0,0]=4 10212 B11R1.4 CCCSCCn1cccc1 62a_200009811947_100000210303 [0,0,0,0,1,0|3,0,0]=4 10213 B11R1.4 CCNCCCc1cccs1 2230a_100015525214_100010992444 [0,0,0,0,1,0|3,0,0]=4 10214 B11R1.4 CCNCCCn1cccc1 2230a_100015525214_200009814367 [0,0,0,0,1,0|3,0,0]=4 10215 B11R1.4 CCOCCCc1cccs1 34a_100011713143_100000210202 [0,0,0,0,1,0|3,0,0]=4 10216 B11R1.4 CCOCCCc1cccs1 34a_100121572206_100010992444 [0,0,0,0,1,0|3,0,0]=4 10217 B11R1.4 CCOCCCc1cccs1 7a_100011713143_100000210202 [0,0,0,0,1,0|3,0,0]=4 10218 B11R1.4 CCOCCCc1ccsc1 34a_200000699776_100000210202 [0,0,0,0,1,0|3,0,0]=4 10219 B11R1.4 CCOCCCc1ccsc1 7a_200000699776_100000210202 [0,0,0,0,1,0|3,0,0]=4 10220 B11R1.4 CCOCCCn1cccc1 34a_100000179399_100000210202 [0,0,0,0,1,0|3,0,0]=4 10221 B11R1.4 CCOCCCn1cccc1 34a_100121572206_200009814367 [0,0,0,0,1,0|3,0,0]=4 10222 B11R1.4 CCOCCCn1cccc1 7a_100000179399_100000210202 [0,0,0,0,1,0|3,0,0]=4 10223 B11R1.4 CCSCCCc1cccs1 62a_100000210202_100010992444 [0,0,0,0,1,0|3,0,0]=4 10224 B11R1.4 CCSCCCc1cccs1 62a_100010992444_100000210202 [0,0,0,0,1,0|3,0,0]=4 10225 B11R1.4 CCSCCCn1cccc1 62a_100000210202_200009814367 [0,0,0,0,1,0|3,0,0]=4 10226 B11R1.4 CCSCCCn1cccc1 62a_200009814367_100000210202 [0,0,0,0,1,0|3,0,0]=4 10227 B11R1.4 ClCCCOCc1ccsc1 34a_100000230001_100011261437 [0,0,0,0,1,0|3,0,0]=4 10228 B11R1.4 FCCCCOc1ccsc1 34a_100000106738_100000729493 [0,0,0,0,1,0|3,0,0]=4 10229 B11R1.4 FCCCCOc1ccsc1 7a_100000106738_100000729493 [0,0,0,0,1,0|3,0,0]=4 10230 B11R1.4 FCCCCSc1ccco1 62a_100000729493_100009814098 [0,0,0,0,1,0|3,0,0]=4 10231 B11R1.4 FCCCCSc1ccco1 62a_100009814098_100000729493 [0,0,0,0,1,0|3,0,0]=4 10232 B11R1.4 FCCCCSc1cccs1 62a_100000729493_100011215356 [0,0,0,0,1,0|3,0,0]=4 10233 B11R1.4 FCCCCSc1cccs1 62a_100011215356_100000729493 [0,0,0,0,1,0|3,0,0]=4 10234 B11R1.4 FCCCCSc1ccoc1 62a_100000729493_100011215275 [0,0,0,0,1,0|3,0,0]=4 10235 B11R1.4 FCCCCSc1ccoc1 62a_100011215275_100000729493 [0,0,0,0,1,0|3,0,0]=4 10236 B11R1.4 FCCCCSc1ccsc1 62a_100000729493_100000738268 [0,0,0,0,1,0|3,0,0]=4 10237 B11R1.4 FCCCCSc1ccsc1 62a_100000738268_100000729493 [0,0,0,0,1,0|3,0,0]=4 10238 B11R1.4 FCCCNCc1ccco1 207a_100015189416_100000186105 [0,0,0,0,1,0|3,0,0]=4 10239 B11R1.4 FCCCNCc1ccco1 2230a_100000185738_100011934791 [0,0,0,0,1,0|3,0,0]=4 10240 B11R1.4 FCCCNCc1ccco1 270004a_100015189416_100000186105 [0,0,0,0,1,0|3,0,0]=4 10241 B11R1.4 FCCCNCc1ccco1 34a_100000185738_100011934791 [0,0,0,0,1,0|3,0,0]=4 10242 B11R1.4 FCCCNCc1cccs1 207a_100015189416_100000209959 [0,0,0,0,1,0|3,0,0]=4 10243 B11R1.4 FCCCNCc1cccs1 2230a_100000211653_100011934791 [0,0,0,0,1,0|3,0,0]=4 10244 B11R1.4 FCCCNCc1cccs1 270004a_100015189416_100000209959 [0,0,0,0,1,0|3,0,0]=4 10245 B11R1.4 FCCCNCc1ccoc1 207a_100015189416_100011215517 [0,0,0,0,1,0|3,0,0]=4 10246 B11R1.4 FCCCNCc1ccoc1 2230a_100015206860_100011934791 [0,0,0,0,1,0|3,0,0]=4 10247 B11R1.4 FCCCNCc1ccoc1 270004a_100015189416_100011215517 [0,0,0,0,1,0|3,0,0]=4 10248 B11R1.4 FCCCNCc1ccoc1 34a_100015206860_100011934791 [0,0,0,0,1,0|3,0,0]=4 10249 B11R1.4 FCCCNCc1ccsc1 207a_100015189416_100000188534 [0,0,0,0,1,0|3,0,0]=4 10250 B11R1.4 FCCCNCc1ccsc1 2230a_100000186416_100011934791 [0,0,0,0,1,0|3,0,0]=4 10251 B11R1.4 FCCCNCc1ccsc1 2230a_100015189416_100011261437 [0,0,0,0,1,0|3,0,0]=4 10252 B11R1.4 FCCCNCc1ccsc1 270004a_100015189416_100000188534 [0,0,0,0,1,0|3,0,0]=4 10253 B11R1.4 FCCCNCc1ccsc1 34a_100000186416_100011934791 [0,0,0,0,1,0|3,0,0]=4 10254 B11R1.4 FCCCNCc1ccsc1 34a_100015189416_100011261437 [0,0,0,0,1,0|3,0,0]=4 10255 B11R1.4 FCCCOCc1ccco1 34a_100000210059_100011934791 [0,0,0,0,1,0|3,0,0]=4 10256 B11R1.4 FCCCOCc1cccs1 34a_100000211240_100011934791 [0,0,0,0,1,0|3,0,0]=4 10257 B11R1.4 FCCCOCc1ccoc1 34a_100011215357_100011934791 [0,0,0,0,1,0|3,0,0]=4 10258 B11R1.4 FCCCOCc1ccsc1 34a_100000759539_100011261437 [0,0,0,0,1,0|3,0,0]=4 10259 B11R1.4 FCCCOCc1ccsc1 34a_100011215551_100011934791 [0,0,0,0,1,0|3,0,0]=4 10260 B11R1.4 FCCCSCc1ccsc1 62a_100011261437_100011934791 [0,0,0,0,1,0|3,0,0]=4 10261 B11R1.4 FCCCSCc1ccsc1 62a_100011934791_100011233845 [0,0,0,0,1,0|3,0,0]=4 10262 B11R1.4 FCCNCCc1ccco1 2230a_100000694680_100011217306 [0,0,0,0,1,0|3,0,0]=4 10263 B11R1.4 FCCNCCc1ccco1 34a_100000694680_100011217306 [0,0,0,0,1,0|3,0,0]=4 10264 B11R1.4 FCCNCCc1cccs1 2230a_100000203755_100011217306 [0,0,0,0,1,0|3,0,0]=4 10265 B11R1.4 FCCNCCc1cccs1 34a_100000203755_100011217306 [0,0,0,0,1,0|3,0,0]=4 10266 B11R1.4 FCCNCCc1cccs1 34a_100000724931_100000748579 [0,0,0,0,1,0|3,0,0]=4 10267 B11R1.4 FCCNCCc1ccsc1 2230a_100000692642_100011217306 [0,0,0,0,1,0|3,0,0]=4 10268 B11R1.4 FCCNCCc1ccsc1 34a_100000692642_100011217306 [0,0,0,0,1,0|3,0,0]=4 10269 B11R1.4 FCCNCCn1cccc1 34a_100011368172_100011217306 [0,0,0,0,1,0|3,0,0]=4 10270 B11R1.4 FCCOCCc1cccs1 34a_100011216825_100011217306 [0,0,0,0,1,0|3,0,0]=4 10271 B11R1.4 FCCOCCc1cccs1 7a_100011216825_100011217306 [0,0,0,0,1,0|3,0,0]=4 10272 B11R1.4 FCCOCCc1ccsc1 34a_100000748821_100011217306 [0,0,0,0,1,0|3,0,0]=4 10273 B11R1.4 FCCOCCn1cccc1 34a_100000179382_100011217306 [0,0,0,0,1,0|3,0,0]=4 10274 B11R1.4 FCCSCCc1cccs1 62a_100000748579_100011217306 [0,0,0,0,1,0|3,0,0]=4 10275 B11R1.4 FCCSCCc1cccs1 62a_100011217306_100000748579 [0,0,0,0,1,0|3,0,0]=4 10276 B11R1.4 FCCSCCn1cccc1 62a_100011217306_200000035178 [0,0,0,0,1,0|3,0,0]=4 10277 B11R1.4 FCCSCCn1cccc1 62a_200009811947_100011217306 [0,0,0,0,1,0|3,0,0]=4 10278 B11R1.4 FCOCCCc1cccs1 34a_100011713143_100015361967 [0,0,0,0,1,0|3,0,0]=4 10279 B11R1.4 FCOCCCc1cccs1 7a_100011713143_100015361967 [0,0,0,0,1,0|3,0,0]=4 10280 B11R1.4 FCOCCCc1ccsc1 34a_200000699776_100015361967 [0,0,0,0,1,0|3,0,0]=4 10281 B11R1.4 FCOCCCc1ccsc1 7a_200000699776_100015361967 [0,0,0,0,1,0|3,0,0]=4 10282 B11R1.4 FCOCCCn1cccc1 34a_100000179399_100015361967 [0,0,0,0,1,0|3,0,0]=4 10283 B11R1.4 FCOCCCn1cccc1 7a_100000179399_100015361967 [0,0,0,0,1,0|3,0,0]=4 10284 B11R1.4 FCSCCCc1cccs1 62a_100010992444_100015361967 [0,0,0,0,1,0|3,0,0]=4 10285 B11R1.4 FCSCCCc1cccs1 62a_100015361967_100010992444 [0,0,0,0,1,0|3,0,0]=4 10286 B11R1.4 FCSCCCn1cccc1 62a_100015361967_200009814367 [0,0,0,0,1,0|3,0,0]=4 10287 B11R1.4 FCSCCCn1cccc1 62a_200009814367_100015361967 [0,0,0,0,1,0|3,0,0]=4 10288 B11R1.4 NCCCOCc1ccsc1 34a_100000182051_100011261437 [0,0,0,0,1,0|3,0,0]=4 10289 B11R1.4 NCCOCCc1cccs1 34a_100000210304_100000748579 [0,0,0,0,1,0|3,0,0]=4 10290 B11R1.4 OCCCCCN1CC=CC1 269982a_100015195280_100000746330 [0,0,0,0,1,0|1,0,2]=4 10291 B11R1.4 OCCCCOc1ccsc1 34a_100000106738_100011216708 [0,0,0,0,1,0|2,0,0]=3 10292 B11R1.4 OCCCCOc1ccsc1 7a_100000106738_100000210776 [0,0,0,0,1,0|2,0,0]=3 10293 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000210776_100000756875 [0,0,0,0,1,0|3,0,0]=4 10294 B11R1.4 OCCCCSc1c[nH]cn1 62a_100000756875_100000210776 [0,0,0,0,1,0|3,0,0]=4 10295 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000062575_100000210776 [0,0,0,0,1,0|3,0,0]=4 10296 B11R1.4 OCCCCSc1cc[nH]n1 62a_100000210776_100000062575 [0,0,0,0,1,0|3,0,0]=4 10297 B11R1.4 OCCCCSc1ccco1 62a_100000210776_100009814098 [0,0,0,0,1,0|2,0,0]=3 10298 B11R1.4 OCCCCSc1ccco1 62a_100009814098_100000210776 [0,0,0,0,1,0|2,0,0]=3 10299 B11R1.4 OCCCCSc1cccs1 62a_100000210776_100011215356 [0,0,0,0,1,0|2,0,0]=3 10300 B11R1.4 OCCCCSc1cccs1 62a_100011215356_100000210776 [0,0,0,0,1,0|2,0,0]=3 10301 B11R1.4 OCCCCSc1ccoc1 62a_100000210776_100011215275 [0,0,0,0,1,0|2,0,0]=3 10302 B11R1.4 OCCCCSc1ccoc1 62a_100011215275_100000210776 [0,0,0,0,1,0|2,0,0]=3 10303 B11R1.4 OCCCCSc1ccon1 62a_100000210776_100009818083 [0,0,0,0,1,0|3,0,0]=4 10304 B11R1.4 OCCCCSc1ccon1 62a_100009818083_100000210776 [0,0,0,0,1,0|3,0,0]=4 10305 B11R1.4 OCCCCSc1ccsc1 62a_100000210776_100000738268 [0,0,0,0,1,0|2,0,0]=3 10306 B11R1.4 OCCCCSc1ccsc1 62a_100000738268_100000210776 [0,0,0,0,1,0|2,0,0]=3 10307 B11R1.4 OCCCCSc1ccsn1 62a_100000210776_100009818082 [0,0,0,0,1,0|3,0,0]=4 10308 B11R1.4 OCCCCSc1ccsn1 62a_100009818082_100000210776 [0,0,0,0,1,0|3,0,0]=4 10309 B11R1.4 OCCCCSc1cn[nH]c1 62a_100000210776_100000238712 [0,0,0,0,1,0|3,0,0]=4 10310 B11R1.4 OCCCCSc1cn[nH]c1 62a_100000238712_100000210776 [0,0,0,0,1,0|3,0,0]=4 10311 B11R1.4 OCCCCSc1cnco1 62a_100000210776_100020591547 [0,0,0,0,1,0|3,0,0]=4 10312 B11R1.4 OCCCCSc1cnco1 62a_100020591547_100000210776 [0,0,0,0,1,0|3,0,0]=4 10313 B11R1.4 OCCCCSc1cncs1 62a_100000210776_100011934649 [0,0,0,0,1,0|3,0,0]=4 10314 B11R1.4 OCCCCSc1cncs1 62a_100011934649_100000210776 [0,0,0,0,1,0|3,0,0]=4 10315 B11R1.4 OCCCCSc1cnoc1 62a_100000210776_100009815712 [0,0,0,0,1,0|3,0,0]=4 10316 B11R1.4 OCCCCSc1cnoc1 62a_100009815712_100000210776 [0,0,0,0,1,0|3,0,0]=4 10317 B11R1.4 OCCCCSc1cnsc1 62a_100000210776_100009815736 [0,0,0,0,1,0|3,0,0]=4 10318 B11R1.4 OCCCCSc1cnsc1 62a_100009815736_100000210776 [0,0,0,0,1,0|3,0,0]=4 10319 B11R1.4 OCCCCSc1cscn1 62a_100000210776_100000751502 [0,0,0,0,1,0|3,0,0]=4 10320 B11R1.4 OCCCCSc1cscn1 62a_100000751502_100000210776 [0,0,0,0,1,0|3,0,0]=4 10321 B11R1.4 OCCCCSc1ncc[nH]1 62a_100000210776_100025796157 [0,0,0,0,1,0|3,0,0]=4 10322 B11R1.4 OCCCCSc1ncc[nH]1 62a_100025796157_100000210776 [0,0,0,0,1,0|3,0,0]=4 10323 B11R1.4 OCCCCSc1ncco1 62a_100000210776_100011787736 [0,0,0,0,1,0|3,0,0]=4 10324 B11R1.4 OCCCCSc1ncco1 62a_100011787736_100000210776 [0,0,0,0,1,0|3,0,0]=4 10325 B11R1.4 OCCCCSc1nccs1 62a_100000210776_100000211983 [0,0,0,0,1,0|3,0,0]=4 10326 B11R1.4 OCCCCSc1nccs1 62a_100000211983_100000210776 [0,0,0,0,1,0|3,0,0]=4 10327 B11R1.4 OCCCNCc1cc[nH]n1 207a_100000182051_100000738523 [0,0,0,0,1,0|3,0,0]=4 10328 B11R1.4 OCCCNCc1cc[nH]n1 270004a_100000182051_100000738523 [0,0,0,0,1,0|3,0,0]=4 10329 B11R1.4 OCCCNCc1ccco1 207a_100000182051_100000186105 [0,0,0,0,1,0|2,0,0]=3 10330 B11R1.4 OCCCNCc1ccco1 2230a_100000185738_100000230001 [0,0,0,0,1,0|2,0,0]=3 10331 B11R1.4 OCCCNCc1ccco1 270004a_100000182051_100000186105 [0,0,0,0,1,0|2,0,0]=3 10332 B11R1.4 OCCCNCc1ccco1 34a_100000185738_100000230001 [0,0,0,0,1,0|2,0,0]=3 10333 B11R1.4 OCCCNCc1cccs1 207a_100000182051_100000209959 [0,0,0,0,1,0|2,0,0]=3 10334 B11R1.4 OCCCNCc1cccs1 2230a_100000211653_100000230001 [0,0,0,0,1,0|2,0,0]=3 10335 B11R1.4 OCCCNCc1cccs1 270004a_100000182051_100000209959 [0,0,0,0,1,0|2,0,0]=3 10336 B11R1.4 OCCCNCc1ccoc1 207a_100000182051_100011215517 [0,0,0,0,1,0|2,0,0]=3 10337 B11R1.4 OCCCNCc1ccoc1 2230a_100015206860_100000230001 [0,0,0,0,1,0|2,0,0]=3 10338 B11R1.4 OCCCNCc1ccoc1 270004a_100000182051_100011215517 [0,0,0,0,1,0|2,0,0]=3 10339 B11R1.4 OCCCNCc1ccoc1 34a_100015206860_100000230001 [0,0,0,0,1,0|2,0,0]=3 10340 B11R1.4 OCCCNCc1ccsc1 207a_100000182051_100000188534 [0,0,0,0,1,0|2,0,0]=3 10341 B11R1.4 OCCCNCc1ccsc1 2230a_100000186416_100000230001 [0,0,0,0,1,0|2,0,0]=3 10342 B11R1.4 OCCCNCc1ccsc1 270004a_100000182051_100000188534 [0,0,0,0,1,0|2,0,0]=3 10343 B11R1.4 OCCCNCc1ccsc1 34a_100000186416_100000230001 [0,0,0,0,1,0|2,0,0]=3 10344 B11R1.4 OCCCNCc1cn[nH]c1 207a_100000182051_100016992096 [0,0,0,0,1,0|3,0,0]=4 10345 B11R1.4 OCCCNCc1cn[nH]c1 270004a_100000182051_100016992096 [0,0,0,0,1,0|3,0,0]=4 10346 B11R1.4 OCCCNCc1cnc[nH]1 207a_100000182051_100000742939 [0,0,0,0,1,0|3,0,0]=4 10347 B11R1.4 OCCCNCc1cnco1 270004a_100000182051_100000064291 [0,0,0,0,1,0|3,0,0]=4 10348 B11R1.4 OCCCNCc1cncs1 207a_100000182051_100000749870 [0,0,0,0,1,0|3,0,0]=4 10349 B11R1.4 OCCCNCc1cncs1 2230a_100016987365_100000230001 [0,0,0,0,1,0|3,0,0]=4 10350 B11R1.4 OCCCNCc1cncs1 270004a_100000182051_100000749870 [0,0,0,0,1,0|3,0,0]=4 10351 B11R1.4 OCCCNCc1cocn1 270004a_100000182051_100000050382 [0,0,0,0,1,0|3,0,0]=4 10352 B11R1.4 OCCCNCc1cscn1 207a_100000182051_100000743575 [0,0,0,0,1,0|3,0,0]=4 10353 B11R1.4 OCCCNCc1cscn1 2230a_100015185402_100000230001 [0,0,0,0,1,0|3,0,0]=4 10354 B11R1.4 OCCCNCc1cscn1 270004a_100000182051_100000743575 [0,0,0,0,1,0|3,0,0]=4 10355 B11R1.4 OCCCNCc1ncc[nH]1 207a_100000182051_100000743867 [0,0,0,0,1,0|3,0,0]=4 10356 B11R1.4 OCCCNCc1ncco1 2230a_100016994969_100000230001 [0,0,0,0,1,0|3,0,0]=4 10357 B11R1.4 OCCCNCc1ncco1 270004a_100000182051_100000064290 [0,0,0,0,1,0|3,0,0]=4 10358 B11R1.4 OCCCNCc1nccs1 207a_100000182051_100000750902 [0,0,0,0,1,0|3,0,0]=4 10359 B11R1.4 OCCCNCc1nccs1 2230a_100000740555_100000230001 [0,0,0,0,1,0|3,0,0]=4 10360 B11R1.4 OCCCNCc1nccs1 270004a_100000182051_100000750902 [0,0,0,0,1,0|3,0,0]=4 10361 B11R1.4 OCCCOCc1ccco1 34a_100000210059_100000230001 [0,0,0,0,1,0|2,0,0]=3 10362 B11R1.4 OCCCOCc1cccs1 34a_100000211240_100000230001 [0,0,0,0,1,0|2,0,0]=3 10363 B11R1.4 OCCCOCc1ccno1 34a_100000740478_100000230001 [0,0,0,0,1,0|3,0,0]=4 10364 B11R1.4 OCCCOCc1ccoc1 34a_100011215357_100000230001 [0,0,0,0,1,0|2,0,0]=3 10365 B11R1.4 OCCCOCc1ccsc1 34a_100011215551_100000230001 [0,0,0,0,1,0|2,0,0]=3 10366 B11R1.4 OCCCOCc1ncco1 34a_100000062594_100000230001 [0,0,0,0,1,0|3,0,0]=4 10367 B11R1.4 OCCCOCn1cccn1 34a_100000731028_100000230001 [0,0,0,0,1,0|3,0,0]=4 10368 B11R1.4 OCCCSCc1c[nH]cn1 62a_100000707719_100011215043 [0,0,0,0,1,0|3,0,0]=4 10369 B11R1.4 OCCCSCc1c[nH]cn1 62a_100011215043_100000707719 [0,0,0,0,1,0|3,0,0]=4 10370 B11R1.4 OCCCSCc1ccn[nH]1 62a_100000728653_100011215043 [0,0,0,0,1,0|3,0,0]=4 10371 B11R1.4 OCCCSCc1ccn[nH]1 62a_100011215043_100000728653 [0,0,0,0,1,0|3,0,0]=4 10372 B11R1.4 OCCCSCc1ccon1 62a_100000234950_100011215043 [0,0,0,0,1,0|3,0,0]=4 10373 B11R1.4 OCCCSCc1ccon1 62a_100011215043_100000234950 [0,0,0,0,1,0|3,0,0]=4 10374 B11R1.4 OCCCSCc1ccsc1 62a_100011215043_100011233845 [0,0,0,0,1,0|2,0,0]=3 10375 B11R1.4 OCCCSCc1ccsc1 62a_100011261437_100011215043 [0,0,0,0,1,0|2,0,0]=3 10376 B11R1.4 OCCCSCc1cncs1 62a_100011215043_100015185245 [0,0,0,0,1,0|3,0,0]=4 10377 B11R1.4 OCCCSCc1cncs1 62a_100015185245_100011215043 [0,0,0,0,1,0|3,0,0]=4 10378 B11R1.4 OCCCSCc1cscn1 62a_100000205941_100011215043 [0,0,0,0,1,0|3,0,0]=4 10379 B11R1.4 OCCCSCc1cscn1 62a_100011215043_100000205941 [0,0,0,0,1,0|3,0,0]=4 10380 B11R1.4 OCCCSCc1ncc[nH]1 62a_100011215043_100016991755 [0,0,0,0,1,0|3,0,0]=4 10381 B11R1.4 OCCCSCc1ncc[nH]1 62a_100016991755_100011215043 [0,0,0,0,1,0|3,0,0]=4 10382 B11R1.4 OCCCSCc1ncco1 62a_100011215043_103436540062 [0,0,0,0,1,0|3,0,0]=4 10383 B11R1.4 OCCCSCc1ncco1 62a_103436540062_100011215043 [0,0,0,0,1,0|3,0,0]=4 10384 B11R1.4 OCCCSCc1nccs1 62a_100011215043_100015184050 [0,0,0,0,1,0|3,0,0]=4 10385 B11R1.4 OCCCSCc1nccs1 62a_100015184050_100011215043 [0,0,0,0,1,0|3,0,0]=4 10386 B11R1.4 OCCNCCc1c[nH]cn1 2230a_100016997473_100020628418 [0,0,0,0,1,0|3,0,0]=4 10387 B11R1.4 OCCNCCc1ccco1 2230a_100000694680_100000211926 [0,0,0,0,1,0|2,0,0]=3 10388 B11R1.4 OCCNCCc1ccco1 34a_100000694680_100000211926 [0,0,0,0,1,0|2,0,0]=3 10389 B11R1.4 OCCNCCc1cccs1 2230a_100000203755_100000211926 [0,0,0,0,1,0|2,0,0]=3 10390 B11R1.4 OCCNCCc1cccs1 2230a_100016997473_100000748579 [0,0,0,0,1,0|2,0,0]=3 10391 B11R1.4 OCCNCCc1cccs1 34a_100000203755_100000211926 [0,0,0,0,1,0|2,0,0]=3 10392 B11R1.4 OCCNCCc1cccs1 34a_100016990907_100000748579 [0,0,0,0,1,0|2,0,0]=3 10393 B11R1.4 OCCNCCc1ccsc1 2230a_100000692642_100000211926 [0,0,0,0,1,0|2,0,0]=3 10394 B11R1.4 OCCNCCc1ccsc1 34a_100000692642_100000211926 [0,0,0,0,1,0|2,0,0]=3 10395 B11R1.4 OCCNCCc1cn[nH]c1 2230a_100000732747_100000211926 [0,0,0,0,1,0|3,0,0]=4 10396 B11R1.4 OCCNCCc1cn[nH]c1 2230a_100016997473_100000743252 [0,0,0,0,1,0|3,0,0]=4 10397 B11R1.4 OCCNCCc1cncs1 2230a_100016991637_100000211926 [0,0,0,0,1,0|3,0,0]=4 10398 B11R1.4 OCCNCCc1nccs1 2230a_100015186391_100000211926 [0,0,0,0,1,0|3,0,0]=4 10399 B11R1.4 OCCNCCn1cccc1 2230a_100016997473_200009811947 [0,0,0,0,1,0|2,0,0]=3 10400 B11R1.4 OCCNCCn1cccc1 34a_100011368172_100000211926 [0,0,0,0,1,0|2,0,0]=3 10401 B11R1.4 OCCNCCn1cccn1 2230a_100011200920_100000211926 [0,0,0,0,1,0|3,0,0]=4 10402 B11R1.4 OCCNCCn1cccn1 2230a_100016997473_100000685285 [0,0,0,0,1,0|3,0,0]=4 10403 B11R1.4 OCCNCCn1cccn1 34a_100016990907_100015204718 [0,0,0,0,1,0|3,0,0]=4 10404 B11R1.4 OCCOCC[n+]1ccsc1 34a_200000100414_100000211926 [0,0,0,0,1,0|3,0,0]=4 10405 B11R1.4 OCCOCCc1cccs1 34a_100011216825_100000211926 [0,0,0,0,1,0|2,0,0]=3 10406 B11R1.4 OCCOCCc1cccs1 7a_100011216825_100000211926 [0,0,0,0,1,0|2,0,0]=3 10407 B11R1.4 OCCOCCc1ccsc1 34a_100000748821_100000211926 [0,0,0,0,1,0|2,0,0]=3 10408 B11R1.4 OCCOCCc1cn[nH]c1 34a_100000766553_100000211926 [0,0,0,0,1,0|3,0,0]=4 10409 B11R1.4 OCCOCCc1cnoc1 34a_100000732699_100000211926 [0,0,0,0,1,0|3,0,0]=4 10410 B11R1.4 OCCOCCc1ncc[nH]1 34a_103549771195_100000211926 [0,0,0,0,1,0|3,0,0]=4 10411 B11R1.4 OCCOCCn1cccc1 34a_100000179382_100000211926 [0,0,0,0,1,0|2,0,0]=3 10412 B11R1.4 OCCOCCn1cccn1 34a_100000743371_100000211926 [0,0,0,0,1,0|3,0,0]=4 10413 B11R1.4 OCCOCCn1ccnc1 34a_100000719764_100000211926 [0,0,0,0,1,0|3,0,0]=4 10414 B11R1.4 OCCSCCc1c[nH]cn1 62a_100000211926_100020628418 [0,0,0,0,1,0|3,0,0]=4 10415 B11R1.4 OCCSCCc1c[nH]cn1 62a_100020628418_100000211926 [0,0,0,0,1,0|3,0,0]=4 10416 B11R1.4 OCCSCCc1cccs1 62a_100000211926_100000748579 [0,0,0,0,1,0|2,0,0]=3 10417 B11R1.4 OCCSCCc1cccs1 62a_100000748579_100000211926 [0,0,0,0,1,0|2,0,0]=3 10418 B11R1.4 OCCSCCc1cn[nH]c1 62a_100000211926_100000743252 [0,0,0,0,1,0|3,0,0]=4 10419 B11R1.4 OCCSCCc1cn[nH]c1 62a_100000743252_100000211926 [0,0,0,0,1,0|3,0,0]=4 10420 B11R1.4 OCCSCCn1cccc1 62a_100000211926_200000035178 [0,0,0,0,1,0|2,0,0]=3 10421 B11R1.4 OCCSCCn1cccc1 62a_200009811947_100000211926 [0,0,0,0,1,0|2,0,0]=3 10422 B11R1.4 OCCSCCn1cccn1 62a_100000211926_100000685285 [0,0,0,0,1,0|3,0,0]=4 10423 B11R1.4 OCCSCCn1cccn1 62a_100015204718_100000211926 [0,0,0,0,1,0|3,0,0]=4 10424 B11R1.4 OCCSCCn1ccnc1 62a_100000211926_100000702546 [0,0,0,0,1,0|3,0,0]=4 10425 B11R1.4 OCCSCCn1ccnc1 62a_100000702546_100000211926 [0,0,0,0,1,0|3,0,0]=4 10426 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [1,0,1,0,0,0|1,0,1]=4 10427 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [1,0,1,0,0,0|1,0,1]=4 10428 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [1,0,1,0,0,0|1,0,1]=4 10429 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,0,1,0,0,0|1,0,1]=4 10430 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [1,0,1,0,0,0|2,0,0]=4 10431 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [1,0,1,0,0,0|2,0,0]=4 10432 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [1,0,1,0,0,0|2,0,0]=4 10433 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,0,1,0,0,0|1,0,0]=3 10434 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [1,0,1,0,0,0|2,0,0]=4 10435 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [1,0,1,0,0,0|1,0,0]=3 10436 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [1,0,1,0,0,0|2,0,0]=4 10437 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [1,0,1,0,0,0|2,0,0]=4 10438 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [1,0,1,0,0,0|2,0,0]=4 10439 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [1,0,1,0,0,0|2,0,0]=4 10440 B10R0.41 C=CC(C=C)OCCCCO 34a_100000033096_100011216708 [1,0,1,0,0,0|1,0,1]=4 10441 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [2,0,0,0,0,0|0,0,0]=2 10442 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [2,0,0,0,0,0|1,0,0]=3 10443 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [2,0,0,0,0,0|1,0,0]=3 10444 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [2,0,0,0,0,0|2,0,0]=4 10445 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [2,0,0,0,0,0|1,0,0]=3 10446 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [2,0,0,0,0,0|2,0,0]=4 10447 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [2,0,0,0,0,0|2,0,0]=4 10448 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [2,0,0,0,0,0|2,0,0]=4 10449 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [2,0,0,0,0,0|2,0,0]=4 10450 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [2,0,0,0,0,0|2,0,0]=4 10451 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [2,0,0,0,0,0|1,0,0]=3 10452 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [2,0,0,0,0,0|1,0,0]=3 10453 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [2,0,0,0,0,0|1,0,0]=3 10454 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [2,0,0,0,0,0|2,0,0]=4 10455 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [2,0,0,0,0,0|2,0,0]=4 10456 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [2,0,0,0,0,0|2,0,0]=4 10457 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [2,0,0,0,0,0|1,0,0]=3 10458 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [2,0,0,0,0,0|1,0,0]=3 10459 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [2,0,0,0,0,0|2,0,0]=4 10460 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [2,0,0,0,0,0|2,0,0]=4 10461 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [2,0,0,0,0,0|2,0,0]=4 10462 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [2,0,0,0,0,0|2,0,0]=4 10463 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [2,0,0,0,0,0|2,0,0]=4 10464 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [2,0,0,0,0,0|2,0,0]=4 10465 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [2,0,0,0,0,0|1,0,0]=3 10466 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [2,0,0,0,0,0|1,0,0]=3 10467 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [2,0,0,0,0,0|1,0,0]=3 10468 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [2,0,0,0,0,0|1,0,0]=3 10469 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [2,0,0,0,0,0|1,0,0]=3 10470 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [2,0,0,0,0,0|2,0,0]=4 10471 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [2,0,0,0,0,0|2,0,0]=4 10472 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [2,0,0,0,0,0|2,0,0]=4 10473 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [2,0,0,0,0,0|2,0,0]=4 10474 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [2,0,0,0,0,0|2,0,0]=4 10475 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [2,0,0,0,0,0|2,0,0]=4 10476 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [2,0,0,0,0,0|2,0,0]=4 10477 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [2,0,0,0,0,0|2,0,0]=4 10478 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|1,0,0]=3 10479 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|1,0,0]=3 10480 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|1,0,0]=3 10481 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [2,0,0,0,0,0|2,0,0]=4 10482 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [2,0,0,0,0,0|2,0,0]=4 10483 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [2,0,0,0,0,0|1,0,0]=3 10484 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [2,0,0,0,0,0|1,0,0]=3 10485 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [2,0,0,0,0,0|2,0,0]=4 10486 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [2,0,0,0,0,0|2,0,0]=4 10487 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [2,0,0,0,0,0|2,0,0]=4 10488 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [2,0,0,0,0,0|2,0,0]=4 10489 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [2,0,0,0,0,0|2,0,0]=4 10490 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [2,0,0,0,0,0|2,0,0]=4 10491 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [2,0,0,0,0,0|1,0,0]=3 10492 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [2,0,0,0,0,0|1,0,0]=3 10493 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [2,0,0,0,0,0|1,0,0]=3 10494 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [2,0,0,0,0,0|1,0,0]=3 10495 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [2,0,0,0,0,0|1,0,0]=3 10496 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 10497 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [2,0,0,0,0,0|2,0,0]=4 10498 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [2,0,0,0,0,0|2,0,0]=4 10499 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [2,0,0,0,0,0|2,0,0]=4 10500 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [2,0,0,0,0,0|2,0,0]=4 10501 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [2,0,0,0,0,0|2,0,0]=4 10502 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [2,0,0,0,0,0|2,0,0]=4 10503 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [2,0,0,0,0,0|2,0,0]=4 10504 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 10505 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|1,0,0]=3 10506 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|1,0,0]=3 10507 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [2,0,0,0,0,0|2,0,0]=4 10508 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [2,0,0,0,0,0|2,0,0]=4 10509 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [2,0,0,0,0,0|2,0,0]=4 10510 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|2,0,0]=4 10511 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|2,0,0]=4 10512 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [2,0,0,0,0,0|1,0,0]=3 10513 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [2,0,0,0,0,0|1,0,0]=3 10514 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [2,0,0,0,0,0|2,0,0]=4 10515 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [2,0,0,0,0,0|2,0,0]=4 10516 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [2,0,0,0,0,0|2,0,0]=4 10517 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [2,0,0,0,0,0|2,0,0]=4 10518 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [2,0,0,0,0,0|2,0,0]=4 10519 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [2,0,0,0,0,0|2,0,0]=4 10520 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [2,0,0,0,0,0|2,0,0]=4 10521 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [2,0,0,0,0,0|2,0,0]=4 10522 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [2,0,0,0,0,0|2,0,0]=4 10523 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [2,0,0,0,0,0|2,0,0]=4 10524 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [2,0,0,0,0,0|2,0,0]=4 10525 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [2,0,0,0,0,0|2,0,0]=4 10526 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [2,0,0,0,0,0|2,0,0]=4 10527 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [2,0,0,0,0,0|2,0,0]=4 10528 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [2,0,0,0,0,0|2,0,0]=4 10529 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [2,0,0,0,0,0|2,0,0]=4 10530 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [2,0,0,0,0,0|2,0,0]=4 10531 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [2,0,0,0,0,0|2,0,0]=4 10532 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [2,0,0,0,0,0|2,0,0]=4 10533 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [2,0,0,0,0,0|2,0,0]=4 10534 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [2,0,0,0,0,0|2,0,0]=4 10535 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [2,0,0,0,0,0|2,0,0]=4 10536 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|1,0,0]=3 10537 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|1,0,0]=3 10538 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|1,0,0]=3 10539 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [2,0,0,0,0,0|2,0,0]=4 10540 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [2,0,0,0,0,0|2,0,0]=4 10541 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [2,0,0,0,0,0|2,0,0]=4 10542 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|1,0,0]=3 10543 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|1,0,0]=3 10544 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [2,0,0,0,0,0|2,0,0]=4 10545 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [2,0,0,0,0,0|2,0,0]=4 10546 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [2,0,0,0,0,0|2,0,0]=4 10547 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [2,0,0,0,0,0|2,0,0]=4 10548 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [2,0,0,0,0,0|2,0,0]=4 10549 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [2,0,0,0,0,0|2,0,0]=4 10550 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [2,0,0,0,0,0|1,0,0]=3 10551 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [2,0,0,0,0,0|1,0,0]=3 10552 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [2,0,0,0,0,0|2,0,0]=4 10553 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 10554 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|1,0,0]=3 10555 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [2,0,0,0,0,0|2,0,0]=4 10556 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [2,0,0,0,0,0|2,0,0]=4 10557 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [2,0,0,0,0,0|2,0,0]=4 10558 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [2,0,0,0,0,0|1,0,0]=3 10559 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [2,0,0,0,0,0|1,0,0]=3 10560 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [2,0,0,0,0,0|2,0,0]=4 10561 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [2,0,0,0,0,0|2,0,0]=4 10562 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [2,0,0,0,0,0|2,0,0]=4 10563 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [2,0,0,0,0,0|2,0,0]=4 10564 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [2,0,0,0,0,0|2,0,0]=4 10565 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [2,0,0,0,0,0|2,0,0]=4 10566 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [2,0,0,0,0,0|2,0,0]=4 10567 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [2,0,0,0,0,0|2,0,0]=4 10568 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,1,1,0,0,0|1,0,1]=4 10569 B12R0.5 C/C=C/C=C/COCCCCCO 34a_100016283227_100000746330 [0,1,1,0,0,0|0,0,2]=4 10570 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,1,1,0,0,0|1,0,1]=4 10571 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,1,1,0,0,0|1,0,1]=4 10572 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,1,1,0,0,0|0,0,1]=3 10573 B12R0.47 C/C=C/C=CC(=O)CCOCCO 1458a_100000185730_100011215305 [0,1,1,0,0,0|1,0,1]=4 10574 B12R0.47 C/C=C/C=CC(=O)NCCCCO 240690a_100000750430_100000185730 [0,1,1,0,0,0|1,0,1]=4 10575 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,1,1,0,0,0|1,0,1]=4 10576 B12R0.206 C=CC=CC(=O)CCCCCCF 1458a_100016291481_100015922095 [0,1,1,0,0,0|1,0,1]=4 10577 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,1,1,0,0,0|0,0,1]=3 10578 B12R0.206 C=CC=CC(=O)NCCCCCC 1626a_100000210581_100016291481 [0,1,1,0,0,0|2,0,0]=4 10579 B12R0.95 C=CC=CC(=O)CCCCB(O)O 1458a_100016291481_200009817182 [0,1,1,0,0,0|2,0,0]=4 10580 B12R0.95 C=CC=CC(=O)CCCCC(C)C 1458a_100016291481_100011216152 [0,1,1,0,0,0|2,0,0]=4 10581 B12R0.648 C=CC=CC(=O)C(C)CCCCC 1458a_100016291481_200011218191 [0,1,1,0,0,0|2,0,0]=4 10582 B12R0.121 C=CCC(C=C)OCCCCCO 34a_100000038011_100000746330 [0,1,1,0,0,0|0,0,2]=4 10583 B12R0.121 C=CCC(C=C)OCCCCCO 7a_100000038011_100000746330 [0,1,1,0,0,0|0,0,2]=4 10584 B12R0.205 C=CCN(CC=C)CCCCCO 2230a_100000210471_100000746330 [0,1,1,0,0,0|1,0,1]=4 10585 B12R0.205 C=CCN(CC=C)CCCCCO 269982a_100000210471_100000746330 [0,1,1,0,0,0|1,0,1]=4 10586 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [1,1,0,0,0,0|2,0,0]=4 10587 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [1,1,0,0,0,0|2,0,0]=4 10588 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [1,1,0,0,0,0|0,0,2]=4 10589 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [1,1,0,0,0,0|0,0,2]=4 10590 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [1,1,0,0,0,0|0,0,2]=4 10591 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [1,1,0,0,0,0|0,0,2]=4 10592 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [1,1,0,0,0,0|0,0,2]=4 10593 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|0,0,2]=4 10594 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [1,1,0,0,0,0|0,0,0]=2 10595 B12R1.1 CCCCCc1cnc(nc1)O 271570a_203496583355_200000062305 [1,1,0,0,0,0|2,0,0]=4 10596 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [1,1,0,0,0,0|1,0,0]=3 10597 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [1,1,0,0,0,0|1,0,0]=3 10598 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [1,1,0,0,0,0|1,0,0]=3 10599 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [1,1,0,0,0,0|1,0,0]=3 10600 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [1,1,0,0,0,0|1,0,0]=3 10601 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [1,1,0,0,0,0|1,0,0]=3 10602 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [1,1,0,0,0,0|1,0,0]=3 10603 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [1,1,0,0,0,0|1,0,0]=3 10604 B12R1.1 CCCCNc1ccc(cn1)Br 27a_100000102301_100000686858 [1,1,0,0,0,0|2,0,0]=4 10605 B12R1.1 CCCCNc1ccc(cn1)O 271570a_203496583355_200011243049 [1,1,0,0,0,0|2,0,0]=4 10606 B12R1.1 CCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210210 [1,1,0,0,0,0|2,0,0]=4 10607 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [1,1,0,0,0,0|1,0,0]=3 10608 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [1,1,0,0,0,0|1,0,0]=3 10609 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [1,1,0,0,0,0|1,0,0]=3 10610 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [1,1,0,0,0,0|1,0,0]=3 10611 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [1,1,0,0,0,0|1,0,0]=3 10612 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [1,1,0,0,0,0|1,0,0]=3 10613 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [1,1,0,0,0,0|1,0,0]=3 10614 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [1,1,0,0,0,0|1,0,0]=3 10615 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [1,1,0,0,0,0|1,0,0]=3 10616 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [1,1,0,0,0,0|1,0,0]=3 10617 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [1,1,0,0,0,0|1,0,0]=3 10618 B12R1.1 CCCCOc1ccc(cn1)C 34a_100000759353_100000210210 [1,1,0,0,0,0|2,0,0]=4 10619 B12R1.1 CCCCOc1ccc(cn1)Cl 34a_100011215309_100000210210 [1,1,0,0,0,0|2,0,0]=4 10620 B12R1.1 CCCCOc1ccc(cn1)F 34a_100000742473_100000210210 [1,1,0,0,0,0|2,0,0]=4 10621 B12R1.1 CCCCOc1ccc(cn1)N 34a_100000729260_100000210210 [1,1,0,0,0,0|2,0,0]=4 10622 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [1,1,0,0,0,0|2,0,0]=4 10623 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [1,1,0,0,0,0|2,0,0]=4 10624 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [1,1,0,0,0,0|2,0,0]=4 10625 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [1,1,0,0,0,0|2,0,0]=4 10626 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [1,1,0,0,0,0|2,0,0]=4 10627 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [1,1,0,0,0,0|2,0,0]=4 10628 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [1,1,0,0,0,0|2,0,0]=4 10629 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [1,1,0,0,0,0|2,0,0]=4 10630 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [1,1,0,0,0,0|2,0,0]=4 10631 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [1,1,0,0,0,0|2,0,0]=4 10632 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [1,1,0,0,0,0|2,0,0]=4 10633 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [1,1,0,0,0,0|2,0,0]=4 10634 B12R1.1 CCCCSc1cc[n+](cc1)[O-] 62a_100000210211_100000039755 [1,1,0,0,0,0|2,0,0]=4 10635 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000210211_100000212171 [1,1,0,0,0,0|2,0,0]=4 10636 B12R1.1 CCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210210 [1,1,0,0,0,0|2,0,0]=4 10637 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [1,1,0,0,0,0|1,0,0]=3 10638 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [1,1,0,0,0,0|1,0,0]=3 10639 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [1,1,0,0,0,0|1,0,0]=3 10640 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [1,1,0,0,0,0|1,0,0]=3 10641 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [1,1,0,0,0,0|1,0,0]=3 10642 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [1,1,0,0,0,0|1,0,0]=3 10643 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [1,1,0,0,0,0|1,0,0]=3 10644 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [1,1,0,0,0,0|1,0,0]=3 10645 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [1,1,0,0,0,0|1,0,0]=3 10646 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [1,1,0,0,0,0|1,0,0]=3 10647 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [1,1,0,0,0,0|1,0,0]=3 10648 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000210211_100000686858 [1,1,0,0,0,0|2,0,0]=4 10649 B12R1.1 CCCCSc1ccc(cn1)Br 62a_100000686858_100000210210 [1,1,0,0,0,0|2,0,0]=4 10650 B12R1.1 CCCCSc1ccc(cn1)C 62a_100000210211_100000754016 [1,1,0,0,0,0|2,0,0]=4 10651 B12R1.1 CCCCSc1ccc(cn1)C 62a_100011192072_100000210210 [1,1,0,0,0,0|2,0,0]=4 10652 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100000210211_100011356976 [1,1,0,0,0,0|2,0,0]=4 10653 B12R1.1 CCCCSc1ccc(cn1)Cl 62a_100011356976_100000210210 [1,1,0,0,0,0|2,0,0]=4 10654 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000210211_100000744514 [1,1,0,0,0,0|2,0,0]=4 10655 B12R1.1 CCCCSc1ccc(cn1)F 62a_100000744514_100000210210 [1,1,0,0,0,0|2,0,0]=4 10656 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000210211_100000737798 [1,1,0,0,0,0|2,0,0]=4 10657 B12R1.1 CCCCSc1ccc(cn1)N 62a_100000737798_100000210210 [1,1,0,0,0,0|2,0,0]=4 10658 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000210211_100000744096 [1,1,0,0,0,0|2,0,0]=4 10659 B12R1.1 CCCCSc1ccc(cn1)O 62a_100000685995_100000210210 [1,1,0,0,0,0|2,0,0]=4 10660 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100000210211_100009814638 [1,1,0,0,0,0|2,0,0]=4 10661 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100009814638_100000210210 [1,1,0,0,0,0|2,0,0]=4 10662 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000210211_100000751577 [1,1,0,0,0,0|2,0,0]=4 10663 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000751577_100000210210 [1,1,0,0,0,0|2,0,0]=4 10664 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [1,1,0,0,0,0|2,0,0]=4 10665 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [1,1,0,0,0,0|2,0,0]=4 10666 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000042367_100000210210 [1,1,0,0,0,0|2,0,0]=4 10667 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000210211_100000042367 [1,1,0,0,0,0|2,0,0]=4 10668 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000187370_100000210210 [1,1,0,0,0,0|2,0,0]=4 10669 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000210211_100000187370 [1,1,0,0,0,0|2,0,0]=4 10670 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [1,1,0,0,0,0|1,0,0]=3 10671 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [1,1,0,0,0,0|1,0,0]=3 10672 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [1,1,0,0,0,0|1,0,0]=3 10673 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [1,1,0,0,0,0|1,0,0]=3 10674 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [1,1,0,0,0,0|1,0,0]=3 10675 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [1,1,0,0,0,0|1,0,0]=3 10676 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [1,1,0,0,0,0|1,0,0]=3 10677 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [1,1,0,0,0,0|1,0,0]=3 10678 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [1,1,0,0,0,0|1,0,0]=3 10679 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [1,1,0,0,0,0|1,0,0]=3 10680 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [1,1,0,0,0,0|1,0,0]=3 10681 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [1,1,0,0,0,0|1,0,0]=3 10682 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [1,1,0,0,0,0|1,0,0]=3 10683 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [1,1,0,0,0,0|1,0,0]=3 10684 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [1,1,0,0,0,0|1,0,0]=3 10685 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [1,1,0,0,0,0|1,0,0]=3 10686 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [1,1,0,0,0,0|1,0,0]=3 10687 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [1,1,0,0,0,0|1,0,0]=3 10688 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [1,1,0,0,0,0|1,0,0]=3 10689 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [1,1,0,0,0,0|1,0,0]=3 10690 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [1,1,0,0,0,0|2,0,0]=4 10691 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [1,1,0,0,0,0|2,0,0]=4 10692 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [1,1,0,0,0,0|2,0,0]=4 10693 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [1,1,0,0,0,0|2,0,0]=4 10694 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [1,1,0,0,0,0|2,0,0]=4 10695 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [1,1,0,0,0,0|2,0,0]=4 10696 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [1,1,0,0,0,0|2,0,0]=4 10697 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [1,1,0,0,0,0|2,0,0]=4 10698 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [1,1,0,0,0,0|2,0,0]=4 10699 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [1,1,0,0,0,0|2,0,0]=4 10700 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [1,1,0,0,0,0|2,0,0]=4 10701 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [1,1,0,0,0,0|2,0,0]=4 10702 B12R1.1 CCCNCc1ccc(nc1)Br 2230a_100009817727_100000210303 [1,1,0,0,0,0|2,0,0]=4 10703 B12R1.1 CCCNCc1ccc(nc1)Br 34a_100009817727_100000210303 [1,1,0,0,0,0|2,0,0]=4 10704 B12R1.1 CCCNCc1ccc(nc1)C 270004a_100020643023_100000743784 [1,1,0,0,0,0|2,0,0]=4 10705 B12R1.1 CCCNCc1ccc(nc1)C 34a_100000740942_100000210303 [1,1,0,0,0,0|2,0,0]=4 10706 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [1,1,0,0,0,0|2,0,0]=4 10707 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [1,1,0,0,0,0|2,0,0]=4 10708 B12R1.1 CCCNCc1ccc(nc1)F 2230a_100000101913_100000210303 [1,1,0,0,0,0|2,0,0]=4 10709 B12R1.1 CCCNCc1ccc(nc1)F 34a_100000101913_100000210303 [1,1,0,0,0,0|2,0,0]=4 10710 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [1,1,0,0,0,0|2,0,0]=4 10711 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [1,1,0,0,0,0|2,0,0]=4 10712 B12R1.1 CCCOCc1cc[n+](cc1)C 34a_100009831711_100000210303 [1,1,0,0,0,0|2,0,0]=4 10713 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210303 [1,1,0,0,0,0|2,0,0]=4 10714 B12R1.1 CCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210303 [1,1,0,0,0,0|2,0,0]=4 10715 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [1,1,0,0,0,0|2,0,0]=4 10716 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [1,1,0,0,0,0|1,0,0]=3 10717 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [1,1,0,0,0,0|1,0,0]=3 10718 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [1,1,0,0,0,0|1,0,0]=3 10719 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [1,1,0,0,0,0|1,0,0]=3 10720 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [1,1,0,0,0,0|1,0,0]=3 10721 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [1,1,0,0,0,0|1,0,0]=3 10722 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [1,1,0,0,0,0|1,0,0]=3 10723 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [1,1,0,0,0,0|1,0,0]=3 10724 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [1,1,0,0,0,0|1,0,0]=3 10725 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [1,1,0,0,0,0|1,0,0]=3 10726 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [1,1,0,0,0,0|1,0,0]=3 10727 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [1,1,0,0,0,0|1,0,0]=3 10728 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [1,1,0,0,0,0|1,0,0]=3 10729 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [1,1,0,0,0,0|1,0,0]=3 10730 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [1,1,0,0,0,0|1,0,0]=3 10731 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000210258_100000702658 [1,1,0,0,0,0|2,0,0]=4 10732 B12R1.1 CCCOCc1ccc(cn1)Br 34a_100000754261_100000210303 [1,1,0,0,0,0|2,0,0]=4 10733 B12R1.1 CCCOCc1ccc(cn1)C 34a_100000210258_100000691093 [1,1,0,0,0,0|2,0,0]=4 10734 B12R1.1 CCCOCc1ccc(cn1)C 34a_100012001401_100000210303 [1,1,0,0,0,0|2,0,0]=4 10735 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000210258_100012066911 [1,1,0,0,0,0|2,0,0]=4 10736 B12R1.1 CCCOCc1ccc(cn1)Cl 34a_100000703999_100000210303 [1,1,0,0,0,0|2,0,0]=4 10737 B12R1.1 CCCOCc1ccc(cn1)F 34a_100000210258_100000703193 [1,1,0,0,0,0|2,0,0]=4 10738 B12R1.1 CCCOCc1ccc(cn1)F 34a_100011999454_100000210303 [1,1,0,0,0,0|2,0,0]=4 10739 B12R1.1 CCCOCc1ccc(cn1)N 34a_100011998161_100000210303 [1,1,0,0,0,0|2,0,0]=4 10740 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [1,1,0,0,0,0|2,0,0]=4 10741 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [1,1,0,0,0,0|2,0,0]=4 10742 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [1,1,0,0,0,0|2,0,0]=4 10743 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [1,1,0,0,0,0|2,0,0]=4 10744 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [1,1,0,0,0,0|2,0,0]=4 10745 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [1,1,0,0,0,0|2,0,0]=4 10746 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [1,1,0,0,0,0|2,0,0]=4 10747 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [1,1,0,0,0,0|2,0,0]=4 10748 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [1,1,0,0,0,0|2,0,0]=4 10749 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [1,1,0,0,0,0|2,0,0]=4 10750 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [1,1,0,0,0,0|2,0,0]=4 10751 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [1,1,0,0,0,0|1,0,0]=3 10752 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [1,1,0,0,0,0|1,0,0]=3 10753 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [1,1,0,0,0,0|1,0,0]=3 10754 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [1,1,0,0,0,0|1,0,0]=3 10755 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [1,1,0,0,0,0|1,0,0]=3 10756 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [1,1,0,0,0,0|1,0,0]=3 10757 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [1,1,0,0,0,0|1,0,0]=3 10758 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [1,1,0,0,0,0|1,0,0]=3 10759 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [1,1,0,0,0,0|1,0,0]=3 10760 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [1,1,0,0,0,0|1,0,0]=3 10761 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000210303_100000702658 [1,1,0,0,0,0|2,0,0]=4 10762 B12R1.1 CCCSCc1ccc(cn1)Br 62a_100000702658_100000210303 [1,1,0,0,0,0|2,0,0]=4 10763 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000210303_100000691093 [1,1,0,0,0,0|2,0,0]=4 10764 B12R1.1 CCCSCc1ccc(cn1)C 62a_100000691093_100000210303 [1,1,0,0,0,0|2,0,0]=4 10765 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100000210303_100000697101 [1,1,0,0,0,0|2,0,0]=4 10766 B12R1.1 CCCSCc1ccc(cn1)Cl 62a_100012066911_100000210303 [1,1,0,0,0,0|2,0,0]=4 10767 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000210303_100000703193 [1,1,0,0,0,0|2,0,0]=4 10768 B12R1.1 CCCSCc1ccc(cn1)F 62a_100000703193_100000210303 [1,1,0,0,0,0|2,0,0]=4 10769 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100000210303_100009831999 [1,1,0,0,0,0|2,0,0]=4 10770 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100009831999_100000210303 [1,1,0,0,0,0|2,0,0]=4 10771 B12R1.1 CCCSCc1ccc(nc1)C 62a_100000210303_100016987292 [1,1,0,0,0,0|2,0,0]=4 10772 B12R1.1 CCCSCc1ccc(nc1)C 62a_100016987292_100000210303 [1,1,0,0,0,0|2,0,0]=4 10773 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [1,1,0,0,0,0|2,0,0]=4 10774 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [1,1,0,0,0,0|2,0,0]=4 10775 B12R1.1 CCCSCc1ccc(nc1)F 62a_100000210303_100000099788 [1,1,0,0,0,0|2,0,0]=4 10776 B12R1.1 CCCSCc1ccc(nc1)F 62a_100009820150_100000210303 [1,1,0,0,0,0|2,0,0]=4 10777 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [1,1,0,0,0,0|1,0,0]=3 10778 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [1,1,0,0,0,0|1,0,0]=3 10779 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [1,1,0,0,0,0|1,0,0]=3 10780 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [1,1,0,0,0,0|1,0,0]=3 10781 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [1,1,0,0,0,0|1,0,0]=3 10782 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [1,1,0,0,0,0|1,0,0]=3 10783 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [1,1,0,0,0,0|1,0,0]=3 10784 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [1,1,0,0,0,0|1,0,0]=3 10785 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [1,1,0,0,0,0|1,0,0]=3 10786 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [1,1,0,0,0,0|1,0,0]=3 10787 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [1,1,0,0,0,0|1,0,0]=3 10788 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [1,1,0,0,0,0|1,0,0]=3 10789 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [1,1,0,0,0,0|1,0,0]=3 10790 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [1,1,0,0,0,0|1,0,0]=3 10791 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [1,1,0,0,0,0|1,0,0]=3 10792 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [1,1,0,0,0,0|1,0,0]=3 10793 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [1,1,0,0,0,0|1,0,0]=3 10794 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [1,1,0,0,0,0|1,0,0]=3 10795 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [1,1,0,0,0,0|1,0,0]=3 10796 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [1,1,0,0,0,0|1,0,0]=3 10797 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [1,1,0,0,0,0|1,0,0]=3 10798 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [1,1,0,0,0,0|1,0,0]=3 10799 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [1,1,0,0,0,0|1,0,0]=3 10800 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [1,1,0,0,0,0|1,0,0]=3 10801 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [1,1,0,0,0,0|1,0,0]=3 10802 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [1,1,0,0,0,0|1,0,0]=3 10803 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [1,1,0,0,0,0|1,0,0]=3 10804 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [1,1,0,0,0,0|1,0,0]=3 10805 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [1,1,0,0,0,0|1,0,0]=3 10806 B12R1.1 CCOCCc1ccc(cn1)Br 34a_100012357577_100000210202 [1,1,0,0,0,0|2,0,0]=4 10807 B12R1.1 CCOCCc1ccc(nc1)C 34a_100011815783_100000210202 [1,1,0,0,0,0|2,0,0]=4 10808 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [1,1,0,0,0,0|2,0,0]=4 10809 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [1,1,0,0,0,0|2,0,0]=4 10810 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000739092_100000752885 [1,1,0,0,0,0|2,0,0]=4 10811 B12R1.1 CCOCSc1ccc(cc1)Br 62a_100000752885_100000739092 [1,1,0,0,0,0|2,0,0]=4 10812 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000186775_100000739092 [1,1,0,0,0,0|2,0,0]=4 10813 B12R1.1 CCOCSc1ccc(cc1)C 62a_100000739092_100000186775 [1,1,0,0,0,0|2,0,0]=4 10814 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000739092_100000755918 [1,1,0,0,0,0|2,0,0]=4 10815 B12R1.1 CCOCSc1ccc(cc1)Cl 62a_100000755918_100000739092 [1,1,0,0,0,0|2,0,0]=4 10816 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000211213_100000739092 [1,1,0,0,0,0|2,0,0]=4 10817 B12R1.1 CCOCSc1ccc(cc1)F 62a_100000739092_100000211213 [1,1,0,0,0,0|2,0,0]=4 10818 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000185761_100000739092 [1,1,0,0,0,0|2,0,0]=4 10819 B12R1.1 CCOCSc1ccc(cc1)N 62a_100000739092_100000185761 [1,1,0,0,0,0|2,0,0]=4 10820 B12R1.1 CCOCSc1ccc(cc1)O 62a_100000739092_100000185759 [1,1,0,0,0,0|2,0,0]=4 10821 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [1,1,0,0,0,0|1,0,0]=3 10822 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [1,1,0,0,0,0|1,0,0]=3 10823 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [1,1,0,0,0,0|1,0,0]=3 10824 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [1,1,0,0,0,0|1,0,0]=3 10825 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [1,1,0,0,0,0|1,0,0]=3 10826 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [1,1,0,0,0,0|1,0,0]=3 10827 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [1,1,0,0,0,0|1,0,0]=3 10828 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [1,1,0,0,0,0|1,0,0]=3 10829 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [1,1,0,0,0,0|1,0,0]=3 10830 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [1,1,0,0,0,0|1,0,0]=3 10831 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [1,1,0,0,0,0|1,0,0]=3 10832 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [1,1,0,0,0,0|1,0,0]=3 10833 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [1,1,0,0,0,0|1,0,0]=3 10834 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [1,1,0,0,0,0|1,0,0]=3 10835 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [1,1,0,0,0,0|1,0,0]=3 10836 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [1,1,0,0,0,0|1,0,0]=3 10837 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [1,1,0,0,0,0|1,0,0]=3 10838 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [1,1,0,0,0,0|1,0,0]=3 10839 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [1,1,0,0,0,0|1,0,0]=3 10840 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [1,1,0,0,0,0|1,0,0]=3 10841 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [1,1,0,0,0,0|1,0,0]=3 10842 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [1,1,0,0,0,0|1,0,0]=3 10843 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [1,1,0,0,0,0|1,0,0]=3 10844 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [1,1,0,0,0,0|1,0,0]=3 10845 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [1,1,0,0,0,0|1,0,0]=3 10846 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [1,1,0,0,0,0|1,0,0]=3 10847 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [1,1,0,0,0,0|1,0,0]=3 10848 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [1,1,0,0,0,0|2,0,0]=4 10849 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [1,1,0,0,0,0|2,0,0]=4 10850 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [1,1,0,0,0,0|2,0,0]=4 10851 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [1,1,0,0,0,0|2,0,0]=4 10852 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [1,1,0,0,0,0|2,0,0]=4 10853 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [1,1,0,0,0,0|2,0,0]=4 10854 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [1,1,0,0,0,0|2,0,0]=4 10855 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [1,1,0,0,0,0|2,0,0]=4 10856 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [1,1,0,0,0,0|2,0,0]=4 10857 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [1,1,0,0,0,0|2,0,0]=4 10858 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [1,1,0,0,0,0|2,0,0]=4 10859 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [1,1,0,0,0,0|2,0,0]=4 10860 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [1,1,0,0,0,0|2,0,0]=4 10861 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [1,1,0,0,0,0|2,0,0]=4 10862 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [1,1,0,0,0,0|2,0,0]=4 10863 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [1,1,0,0,0,0|2,0,0]=4 10864 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [1,1,0,0,0,0|2,0,0]=4 10865 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [1,1,0,0,0,0|2,0,0]=4 10866 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [1,1,0,0,0,0|2,0,0]=4 10867 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [1,1,0,0,0,0|2,0,0]=4 10868 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [1,1,0,0,0,0|2,0,0]=4 10869 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [1,1,0,0,0,0|2,0,0]=4 10870 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [1,1,0,0,0,0|2,0,0]=4 10871 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [1,1,0,0,0,0|1,0,0]=3 10872 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [1,1,0,0,0,0|1,0,0]=3 10873 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [1,1,0,0,0,0|1,0,0]=3 10874 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [1,1,0,0,0,0|1,0,0]=3 10875 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [1,1,0,0,0,0|1,0,0]=3 10876 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [1,1,0,0,0,0|1,0,0]=3 10877 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [1,1,0,0,0,0|1,0,0]=3 10878 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [1,1,0,0,0,0|1,0,0]=3 10879 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [1,1,0,0,0,0|1,0,0]=3 10880 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [1,1,0,0,0,0|1,0,0]=3 10881 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [1,1,0,0,0,0|1,0,0]=3 10882 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [1,1,0,0,0,0|2,0,0]=4 10883 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [1,1,0,0,0,0|2,0,0]=4 10884 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [1,1,0,0,0,0|2,0,0]=4 10885 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [1,1,0,0,0,0|2,0,0]=4 10886 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [1,1,0,0,0,0|2,0,0]=4 10887 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [1,1,0,0,0,0|2,0,0]=4 10888 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [1,1,0,0,0,0|2,0,0]=4 10889 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [1,1,0,0,0,0|2,0,0]=4 10890 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [1,1,0,0,0,0|2,0,0]=4 10891 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [1,1,0,0,0,0|2,0,0]=4 10892 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [1,1,0,0,0,0|2,0,0]=4 10893 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [1,1,0,0,0,0|2,0,0]=4 10894 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [1,1,0,0,0,0|2,0,0]=4 10895 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [1,1,0,0,0,0|2,0,0]=4 10896 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [1,1,0,0,0,0|2,0,0]=4 10897 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [1,1,0,0,0,0|2,0,0]=4 10898 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [1,1,0,0,0,0|2,0,0]=4 10899 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [1,1,0,0,0,0|2,0,0]=4 10900 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [1,1,0,0,0,0|2,0,0]=4 10901 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [1,1,0,0,0,0|2,0,0]=4 10902 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [1,1,0,0,0,0|2,0,0]=4 10903 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [1,1,0,0,0,0|2,0,0]=4 10904 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [1,1,0,0,0,0|2,0,0]=4 10905 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [1,1,0,0,0,0|2,0,0]=4 10906 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [1,1,0,0,0,0|2,0,0]=4 10907 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [1,1,0,0,0,0|2,0,0]=4 10908 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [1,1,0,0,0,0|2,0,0]=4 10909 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [1,1,0,0,0,0|2,0,0]=4 10910 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [1,1,0,0,0,0|2,0,0]=4 10911 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [1,1,0,0,0,0|2,0,0]=4 10912 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [1,1,0,0,0,0|2,0,0]=4 10913 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [1,1,0,0,0,0|2,0,0]=4 10914 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [1,1,0,0,0,0|2,0,0]=4 10915 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [1,1,0,0,0,0|2,0,0]=4 10916 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [1,1,0,0,0,0|2,0,0]=4 10917 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [1,1,0,0,0,0|2,0,0]=4 10918 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [1,1,0,0,0,0|2,0,0]=4 10919 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [1,1,0,0,0,0|2,0,0]=4 10920 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [1,1,0,0,0,0|2,0,0]=4 10921 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [1,1,0,0,0,0|2,0,0]=4 10922 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [1,1,0,0,0,0|2,0,0]=4 10923 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [1,1,0,0,0,0|2,0,0]=4 10924 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [1,1,0,0,0,0|2,0,0]=4 10925 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [1,1,0,0,0,0|2,0,0]=4 10926 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [1,1,0,0,0,0|2,0,0]=4 10927 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [1,1,0,0,0,0|2,0,0]=4 10928 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [1,1,0,0,0,0|2,0,0]=4 10929 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [1,1,0,0,0,0|2,0,0]=4 10930 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [1,1,0,0,0,0|2,0,0]=4 10931 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [1,1,0,0,0,0|2,0,0]=4 10932 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [1,1,0,0,0,0|2,0,0]=4 10933 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [1,1,0,0,0,0|2,0,0]=4 10934 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [1,1,0,0,0,0|2,0,0]=4 10935 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [1,1,0,0,0,0|2,0,0]=4 10936 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [1,1,0,0,0,0|2,0,0]=4 10937 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [1,1,0,0,0,0|2,0,0]=4 10938 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [1,1,0,0,0,0|2,0,0]=4 10939 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [1,1,0,0,0,0|2,0,0]=4 10940 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [1,1,0,0,0,0|2,0,0]=4 10941 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [1,1,0,0,0,0|2,0,0]=4 10942 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [1,1,0,0,0,0|2,0,0]=4 10943 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [1,1,0,0,0,0|2,0,0]=4 10944 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [1,1,0,0,0,0|2,0,0]=4 10945 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [1,1,0,0,0,0|1,0,0]=3 10946 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [1,1,0,0,0,0|1,0,0]=3 10947 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [1,1,0,0,0,0|1,0,0]=3 10948 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [1,1,0,0,0,0|1,0,0]=3 10949 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [1,1,0,0,0,0|1,0,0]=3 10950 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [1,1,0,0,0,0|1,0,0]=3 10951 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [1,1,0,0,0,0|2,0,0]=4 10952 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [1,1,0,0,0,0|2,0,0]=4 10953 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [1,1,0,0,0,0|2,0,0]=4 10954 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [1,1,0,0,0,0|2,0,0]=4 10955 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [1,1,0,0,0,0|2,0,0]=4 10956 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [1,1,0,0,0,0|2,0,0]=4 10957 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [1,1,0,0,0,0|2,0,0]=4 10958 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [1,1,0,0,0,0|2,0,0]=4 10959 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [1,1,0,0,0,0|2,0,0]=4 10960 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [1,1,0,0,0,0|2,0,0]=4 10961 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [1,1,0,0,0,0|2,0,0]=4 10962 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [1,1,0,0,0,0|2,0,0]=4 10963 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [1,1,0,0,0,0|2,0,0]=4 10964 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [1,1,0,0,0,0|2,0,0]=4 10965 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [1,1,0,0,0,0|2,0,0]=4 10966 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [1,1,0,0,0,0|2,0,0]=4 10967 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [1,1,0,0,0,0|2,0,0]=4 10968 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [1,1,0,0,0,0|2,0,0]=4 10969 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [1,1,0,0,0,0|2,0,0]=4 10970 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [1,1,0,0,0,0|2,0,0]=4 10971 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [1,1,0,0,0,0|2,0,0]=4 10972 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [1,1,0,0,0,0|2,0,0]=4 10973 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [1,1,0,0,0,0|2,0,0]=4 10974 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [1,1,0,0,0,0|2,0,0]=4 10975 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [1,1,0,0,0,0|2,0,0]=4 10976 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [1,1,0,0,0,0|2,0,0]=4 10977 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [1,1,0,0,0,0|2,0,0]=4 10978 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [1,1,0,0,0,0|2,0,0]=4 10979 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [1,1,0,0,0,0|2,0,0]=4 10980 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [1,1,0,0,0,0|2,0,0]=4 10981 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [1,1,0,0,0,0|2,0,0]=4 10982 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [1,1,0,0,0,0|2,0,0]=4 10983 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [1,1,0,0,0,0|2,0,0]=4 10984 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [1,1,0,0,0,0|2,0,0]=4 10985 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [1,1,0,0,0,0|2,0,0]=4 10986 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [1,1,0,0,0,0|2,0,0]=4 10987 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [1,1,0,0,0,0|2,0,0]=4 10988 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [1,1,0,0,0,0|2,0,0]=4 10989 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [1,1,0,0,0,0|2,0,0]=4 10990 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [1,1,0,0,0,0|2,0,0]=4 10991 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [1,1,0,0,0,0|2,0,0]=4 10992 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [1,1,0,0,0,0|2,0,0]=4 10993 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [1,1,0,0,0,0|2,0,0]=4 10994 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [1,1,0,0,0,0|2,0,0]=4 10995 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [1,1,0,0,0,0|2,0,0]=4 10996 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [1,1,0,0,0,0|2,0,0]=4 10997 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [1,1,0,0,0,0|2,0,0]=4 10998 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [1,1,0,0,0,0|2,0,0]=4 10999 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [1,1,0,0,0,0|2,0,0]=4 11000 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [1,1,0,0,0,0|2,0,0]=4 11001 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [1,1,0,0,0,0|2,0,0]=4 11002 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [1,1,0,0,0,0|2,0,0]=4 11003 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [1,1,0,0,0,0|2,0,0]=4 11004 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [1,1,0,0,0,0|2,0,0]=4 11005 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [1,1,0,0,0,0|2,0,0]=4 11006 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [1,1,0,0,0,0|2,0,0]=4 11007 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [1,1,0,0,0,0|2,0,0]=4 11008 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [1,1,0,0,0,0|2,0,0]=4 11009 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [1,1,0,0,0,0|2,0,0]=4 11010 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [1,1,0,0,0,0|2,0,0]=4 11011 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [1,1,0,0,0,0|2,0,0]=4 11012 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [1,1,0,0,0,0|2,0,0]=4 11013 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [1,1,0,0,0,0|2,0,0]=4 11014 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [1,1,0,0,0,0|2,0,0]=4 11015 B12R1.1 C[n+]1ccc(cc1)COCCO 34a_100009831711_100000211926 [1,1,0,0,0,0|2,0,0]=4 11016 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [1,1,0,0,0,0|1,0,0]=3 11017 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [1,1,0,0,0,0|1,0,0]=3 11018 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [1,1,0,0,0,0|1,0,0]=3 11019 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [1,1,0,0,0,0|1,0,0]=3 11020 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [1,1,0,0,0,0|2,0,0]=4 11021 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [1,1,0,0,0,0|2,0,0]=4 11022 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [1,1,0,0,0,0|2,0,0]=4 11023 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [1,1,0,0,0,0|2,0,0]=4 11024 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [1,1,0,0,0,0|2,0,0]=4 11025 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [1,1,0,0,0,0|2,0,0]=4 11026 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [1,1,0,0,0,0|2,0,0]=4 11027 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [1,1,0,0,0,0|2,0,0]=4 11028 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [1,1,0,0,0,0|1,0,0]=3 11029 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [1,1,0,0,0,0|1,0,0]=3 11030 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [1,1,0,0,0,0|1,0,0]=3 11031 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [1,1,0,0,0,0|1,0,0]=3 11032 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [1,1,0,0,0,0|1,0,0]=3 11033 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [1,1,0,0,0,0|1,0,0]=3 11034 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [1,1,0,0,0,0|2,0,0]=4 11035 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [1,1,0,0,0,0|2,0,0]=4 11036 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [1,1,0,0,0,0|2,0,0]=4 11037 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [1,1,0,0,0,0|2,0,0]=4 11038 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [1,1,0,0,0,0|1,0,0]=3 11039 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [1,1,0,0,0,0|1,0,0]=3 11040 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [1,1,0,0,0,0|2,0,0]=4 11041 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [1,1,0,0,0,0|2,0,0]=4 11042 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [1,1,0,0,0,0|1,0,0]=3 11043 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [1,1,0,0,0,0|1,0,0]=3 11044 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [1,1,0,0,0,0|2,0,0]=4 11045 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [1,1,0,0,0,0|1,0,0]=3 11046 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [1,1,0,0,0,0|2,0,0]=4 11047 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [1,1,0,0,0,0|2,0,0]=4 11048 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [1,1,0,0,0,0|1,0,0]=3 11049 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [1,1,0,0,0,0|1,0,0]=3 11050 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [1,1,0,0,0,0|2,0,0]=4 11051 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [1,1,0,0,0,0|2,0,0]=4 11052 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [1,1,0,0,0,0|2,0,0]=4 11053 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [1,1,0,0,0,0|2,0,0]=4 11054 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [1,1,0,0,0,0|2,0,0]=4 11055 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [1,1,0,0,0,0|2,0,0]=4 11056 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [1,1,0,0,0,0|2,0,0]=4 11057 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [1,1,0,0,0,0|2,0,0]=4 11058 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [1,1,0,0,0,0|1,0,0]=3 11059 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [1,1,0,0,0,0|1,0,0]=3 11060 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [1,1,0,0,0,0|2,0,0]=4 11061 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [1,1,0,0,0,0|2,0,0]=4 11062 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [1,1,0,0,0,0|2,0,0]=4 11063 B12R1.1 Cc1ccc(cn1)CNCCO 2230a_100016997473_100016987292 [1,1,0,0,0,0|2,0,0]=4 11064 B12R1.1 Cc1ccc(cn1)CNCCO 270004a_100000210304_100000743784 [1,1,0,0,0,0|2,0,0]=4 11065 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100000740942_100000211926 [1,1,0,0,0,0|2,0,0]=4 11066 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100016990907_100016987292 [1,1,0,0,0,0|2,0,0]=4 11067 B12R1.1 Cc1ccc(cn1)COCCO 34a_100011248133_100000211926 [1,1,0,0,0,0|2,0,0]=4 11068 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100000211926_100016987292 [1,1,0,0,0,0|2,0,0]=4 11069 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100016987292_100000211926 [1,1,0,0,0,0|2,0,0]=4 11070 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [1,1,0,0,0,0|2,0,0]=4 11071 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [1,1,0,0,0,0|2,0,0]=4 11072 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [1,1,0,0,0,0|2,0,0]=4 11073 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [1,1,0,0,0,0|2,0,0]=4 11074 B12R1.1 Cc1ccc(nc1)CNCCO 207a_100000210304_100000050478 [1,1,0,0,0,0|2,0,0]=4 11075 B12R1.1 Cc1ccc(nc1)CNCCO 2230a_100016997473_100000691093 [1,1,0,0,0,0|2,0,0]=4 11076 B12R1.1 Cc1ccc(nc1)CNCCO 270004a_100000210304_100000050478 [1,1,0,0,0,0|2,0,0]=4 11077 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100015187455_100000211926 [1,1,0,0,0,0|2,0,0]=4 11078 B12R1.1 Cc1ccc(nc1)CNCCO 34a_100016990907_100000691093 [1,1,0,0,0,0|2,0,0]=4 11079 B12R1.1 Cc1ccc(nc1)COCCO 34a_100012001401_100000211926 [1,1,0,0,0,0|2,0,0]=4 11080 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000211926_100000691093 [1,1,0,0,0,0|2,0,0]=4 11081 B12R1.1 Cc1ccc(nc1)CSCCO 62a_100000691093_100000211926 [1,1,0,0,0,0|2,0,0]=4 11082 B12R1.1 Cc1ccc(nc1)OCCCO 34a_100000759353_100000230001 [1,1,0,0,0,0|2,0,0]=4 11083 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011192072_100011215043 [1,1,0,0,0,0|2,0,0]=4 11084 B12R1.1 Cc1ccc(nc1)SCCCO 62a_100011215043_100000754016 [1,1,0,0,0,0|2,0,0]=4 11085 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [1,1,0,0,0,0|2,0,0]=4 11086 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [1,1,0,0,0,0|2,0,0]=4 11087 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [1,1,0,0,0,0|2,0,0]=4 11088 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [1,1,0,0,0,0|2,0,0]=4 11089 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [1,1,0,0,0,0|2,0,0]=4 11090 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [1,1,0,0,0,0|2,0,0]=4 11091 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [1,1,0,0,0,0|2,0,0]=4 11092 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [1,1,0,0,0,0|2,0,0]=4 11093 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [1,1,0,0,0,0|2,0,0]=4 11094 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [1,1,0,0,0,0|2,0,0]=4 11095 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [1,1,0,0,0,0|2,0,0]=4 11096 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [1,1,0,0,0,0|2,0,0]=4 11097 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [1,1,0,0,0,0|2,0,0]=4 11098 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [1,1,0,0,0,0|2,0,0]=4 11099 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [1,1,0,0,0,0|2,0,0]=4 11100 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [1,1,0,0,0,0|2,0,0]=4 11101 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [1,1,0,0,0,0|2,0,0]=4 11102 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [1,1,0,0,0,0|2,0,0]=4 11103 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [1,1,0,0,0,0|2,0,0]=4 11104 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [1,1,0,0,0,0|2,0,0]=4 11105 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [1,1,0,0,0,0|2,0,0]=4 11106 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [1,1,0,0,0,0|2,0,0]=4 11107 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [1,1,0,0,0,0|2,0,0]=4 11108 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [1,1,0,0,0,0|2,0,0]=4 11109 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [1,1,0,0,0,0|2,0,0]=4 11110 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [1,1,0,0,0,0|2,0,0]=4 11111 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [1,1,0,0,0,0|2,0,0]=4 11112 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [1,1,0,0,0,0|2,0,0]=4 11113 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [1,1,0,0,0,0|2,0,0]=4 11114 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [1,1,0,0,0,0|2,0,0]=4 11115 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [1,1,0,0,0,0|2,0,0]=4 11116 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [1,1,0,0,0,0|2,0,0]=4 11117 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [1,1,0,0,0,0|2,0,0]=4 11118 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [1,1,0,0,0,0|2,0,0]=4 11119 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [1,1,0,0,0,0|2,0,0]=4 11120 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [1,1,0,0,0,0|2,0,0]=4 11121 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [1,1,0,0,0,0|2,0,0]=4 11122 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [1,1,0,0,0,0|2,0,0]=4 11123 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [1,1,0,0,0,0|2,0,0]=4 11124 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [1,1,0,0,0,0|2,0,0]=4 11125 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [1,1,0,0,0,0|2,0,0]=4 11126 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [1,1,0,0,0,0|2,0,0]=4 11127 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [1,1,0,0,0,0|2,0,0]=4 11128 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [1,1,0,0,0,0|2,0,0]=4 11129 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [1,1,0,0,0,0|2,0,0]=4 11130 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [1,1,0,0,0,0|2,0,0]=4 11131 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [1,1,0,0,0,0|2,0,0]=4 11132 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [1,1,0,0,0,0|2,0,0]=4 11133 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [1,1,0,0,0,0|2,0,0]=4 11134 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [1,1,0,0,0,0|2,0,0]=4 11135 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [1,1,0,0,0,0|2,0,0]=4 11136 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [1,1,0,0,0,0|2,0,0]=4 11137 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [1,1,0,0,0,0|2,0,0]=4 11138 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [1,1,0,0,0,0|2,0,0]=4 11139 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [1,1,0,0,0,0|2,0,0]=4 11140 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [1,1,0,0,0,0|2,0,0]=4 11141 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [1,1,0,0,0,0|2,0,0]=4 11142 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [1,1,0,0,0,0|2,0,0]=4 11143 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [1,1,0,0,0,0|2,0,0]=4 11144 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [1,1,0,0,0,0|2,0,0]=4 11145 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [1,1,0,0,0,0|2,0,0]=4 11146 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [1,1,0,0,0,0|2,0,0]=4 11147 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [1,1,0,0,0,0|2,0,0]=4 11148 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [1,1,0,0,0,0|2,0,0]=4 11149 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [1,1,0,0,0,0|2,0,0]=4 11150 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [1,1,0,0,0,0|2,0,0]=4 11151 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [1,1,0,0,0,0|2,0,0]=4 11152 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [1,1,0,0,0,0|2,0,0]=4 11153 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [1,1,0,0,0,0|2,0,0]=4 11154 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [1,1,0,0,0,0|2,0,0]=4 11155 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [1,1,0,0,0,0|2,0,0]=4 11156 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [1,1,0,0,0,0|1,0,0]=3 11157 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [1,1,0,0,0,0|2,0,0]=4 11158 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [1,1,0,0,0,0|1,0,0]=3 11159 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [1,1,0,0,0,0|2,0,0]=4 11160 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [1,1,0,0,0,0|2,0,0]=4 11161 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [1,1,0,0,0,0|1,0,0]=3 11162 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [1,1,0,0,0,0|1,0,0]=3 11163 B12R1.1 Nc1ccc(cn1)COCCO 34a_100000704267_100000211926 [1,1,0,0,0,0|2,0,0]=4 11164 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [1,1,0,0,0,0|2,0,0]=4 11165 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [1,1,0,0,0,0|2,0,0]=4 11166 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [1,1,0,0,0,0|2,0,0]=4 11167 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [1,1,0,0,0,0|2,0,0]=4 11168 B12R1.1 Nc1ccc(nc1)COCCO 34a_100011998161_100000211926 [1,1,0,0,0,0|2,0,0]=4 11169 B12R1.1 Nc1ccc(nc1)OCCCO 34a_100000729260_100000230001 [1,1,0,0,0,0|2,0,0]=4 11170 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100000737798_100011215043 [1,1,0,0,0,0|2,0,0]=4 11171 B12R1.1 Nc1ccc(nc1)SCCCO 62a_100011215043_100000737798 [1,1,0,0,0,0|2,0,0]=4 11172 B12R1.1 O=c1ccc(c[nH]1)COCCO 34a_100011999846_100000211926 [1,1,0,0,0,0|2,0,0]=4 11173 B12R1.1 O=c1ccc(c[nH]1)OCCCO 34a_100000075641_100000230001 [1,1,0,0,0,0|2,0,0]=4 11174 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100000212171_100011215043 [1,1,0,0,0,0|2,0,0]=4 11175 B12R1.1 O=c1ccc(c[nH]1)SCCCO 62a_100011215043_100000212171 [1,1,0,0,0,0|2,0,0]=4 11176 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [1,1,0,0,0,0|1,0,0]=3 11177 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [1,1,0,0,0,0|1,0,0]=3 11178 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [1,1,0,0,0,0|1,0,0]=3 11179 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [1,1,0,0,0,0|1,0,0]=3 11180 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [1,1,0,0,0,0|1,0,0]=3 11181 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [1,1,0,0,0,0|1,0,0]=3 11182 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [1,1,0,0,0,0|1,0,0]=3 11183 B12R1.1 OCCCNc1ccc(cn1)Br 27a_100000182051_100000686858 [1,1,0,0,0,0|2,0,0]=4 11184 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [1,1,0,0,0,0|1,0,0]=3 11185 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [1,1,0,0,0,0|1,0,0]=3 11186 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [1,1,0,0,0,0|1,0,0]=3 11187 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [1,1,0,0,0,0|1,0,0]=3 11188 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [1,1,0,0,0,0|1,0,0]=3 11189 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [1,1,0,0,0,0|1,0,0]=3 11190 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [1,1,0,0,0,0|1,0,0]=3 11191 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [1,1,0,0,0,0|1,0,0]=3 11192 B12R1.1 OCCCOc1ccc(cn1)Cl 34a_100011215309_100000230001 [1,1,0,0,0,0|2,0,0]=4 11193 B12R1.1 OCCCOc1ccc(cn1)F 34a_100000742473_100000230001 [1,1,0,0,0,0|2,0,0]=4 11194 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [1,1,0,0,0,0|2,0,0]=4 11195 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [1,1,0,0,0,0|2,0,0]=4 11196 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [1,1,0,0,0,0|2,0,0]=4 11197 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [1,1,0,0,0,0|2,0,0]=4 11198 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [1,1,0,0,0,0|2,0,0]=4 11199 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [1,1,0,0,0,0|2,0,0]=4 11200 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [1,1,0,0,0,0|2,0,0]=4 11201 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [1,1,0,0,0,0|2,0,0]=4 11202 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [1,1,0,0,0,0|1,0,0]=3 11203 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [1,1,0,0,0,0|1,0,0]=3 11204 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [1,1,0,0,0,0|1,0,0]=3 11205 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [1,1,0,0,0,0|1,0,0]=3 11206 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [1,1,0,0,0,0|1,0,0]=3 11207 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [1,1,0,0,0,0|1,0,0]=3 11208 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [1,1,0,0,0,0|1,0,0]=3 11209 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100000686858_100011215043 [1,1,0,0,0,0|2,0,0]=4 11210 B12R1.1 OCCCSc1ccc(cn1)Br 62a_100011215043_100000686858 [1,1,0,0,0,0|2,0,0]=4 11211 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011215043_100011356976 [1,1,0,0,0,0|2,0,0]=4 11212 B12R1.1 OCCCSc1ccc(cn1)Cl 62a_100011356976_100011215043 [1,1,0,0,0,0|2,0,0]=4 11213 B12R1.1 OCCCSc1ccc(cn1)F 62a_100000744514_100011215043 [1,1,0,0,0,0|2,0,0]=4 11214 B12R1.1 OCCCSc1ccc(cn1)F 62a_100011215043_100000744514 [1,1,0,0,0,0|2,0,0]=4 11215 B12R1.1 OCCCSc1ccc(cn1)O 62a_100000685995_100011215043 [1,1,0,0,0,0|2,0,0]=4 11216 B12R1.1 OCCCSc1ccc(cn1)O 62a_100011215043_100000744096 [1,1,0,0,0,0|2,0,0]=4 11217 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [1,1,0,0,0,0|2,0,0]=4 11218 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [1,1,0,0,0,0|2,0,0]=4 11219 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [1,1,0,0,0,0|2,0,0]=4 11220 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [1,1,0,0,0,0|2,0,0]=4 11221 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [1,1,0,0,0,0|2,0,0]=4 11222 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [1,1,0,0,0,0|2,0,0]=4 11223 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [1,1,0,0,0,0|1,0,0]=3 11224 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [1,1,0,0,0,0|1,0,0]=3 11225 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [1,1,0,0,0,0|1,0,0]=3 11226 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [1,1,0,0,0,0|1,0,0]=3 11227 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [1,1,0,0,0,0|1,0,0]=3 11228 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [1,1,0,0,0,0|1,0,0]=3 11229 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [1,1,0,0,0,0|1,0,0]=3 11230 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [1,1,0,0,0,0|1,0,0]=3 11231 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [1,1,0,0,0,0|1,0,0]=3 11232 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [1,1,0,0,0,0|1,0,0]=3 11233 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [1,1,0,0,0,0|1,0,0]=3 11234 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [1,1,0,0,0,0|1,0,0]=3 11235 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [1,1,0,0,0,0|1,0,0]=3 11236 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [1,1,0,0,0,0|1,0,0]=3 11237 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [1,1,0,0,0,0|1,0,0]=3 11238 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [1,1,0,0,0,0|1,0,0]=3 11239 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [1,1,0,0,0,0|1,0,0]=3 11240 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [1,1,0,0,0,0|1,0,0]=3 11241 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [1,1,0,0,0,0|1,0,0]=3 11242 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [1,1,0,0,0,0|1,0,0]=3 11243 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [1,1,0,0,0,0|1,0,0]=3 11244 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [1,1,0,0,0,0|1,0,0]=3 11245 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [1,1,0,0,0,0|1,0,0]=3 11246 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [1,1,0,0,0,0|1,0,0]=3 11247 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [1,1,0,0,0,0|1,0,0]=3 11248 B12R1.1 OCCNCc1ccc(cn1)Br 207a_100000210304_100000754260 [1,1,0,0,0,0|2,0,0]=4 11249 B12R1.1 OCCNCc1ccc(cn1)Br 2230a_100016997473_100000702658 [1,1,0,0,0,0|2,0,0]=4 11250 B12R1.1 OCCNCc1ccc(cn1)Br 270004a_100000210304_100000754260 [1,1,0,0,0,0|2,0,0]=4 11251 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100015188789_100000211926 [1,1,0,0,0,0|2,0,0]=4 11252 B12R1.1 OCCNCc1ccc(cn1)Br 34a_100016990907_100000702658 [1,1,0,0,0,0|2,0,0]=4 11253 B12R1.1 OCCNCc1ccc(cn1)Cl 207a_100000210304_100011361569 [1,1,0,0,0,0|2,0,0]=4 11254 B12R1.1 OCCNCc1ccc(cn1)Cl 2230a_100016997473_100012066911 [1,1,0,0,0,0|2,0,0]=4 11255 B12R1.1 OCCNCc1ccc(cn1)Cl 270004a_100000210304_100011361569 [1,1,0,0,0,0|2,0,0]=4 11256 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100000697193_100000211926 [1,1,0,0,0,0|2,0,0]=4 11257 B12R1.1 OCCNCc1ccc(cn1)Cl 34a_100016990907_100012066911 [1,1,0,0,0,0|2,0,0]=4 11258 B12R1.1 OCCNCc1ccc(cn1)F 207a_100000210304_100011934744 [1,1,0,0,0,0|2,0,0]=4 11259 B12R1.1 OCCNCc1ccc(cn1)F 2230a_100016997473_100000703193 [1,1,0,0,0,0|2,0,0]=4 11260 B12R1.1 OCCNCc1ccc(cn1)F 270004a_100000210304_100011934744 [1,1,0,0,0,0|2,0,0]=4 11261 B12R1.1 OCCNCc1ccc(cn1)F 34a_100016990907_100000703193 [1,1,0,0,0,0|2,0,0]=4 11262 B12R1.1 OCCNCc1ccc(cn1)F 34a_100020620131_100000211926 [1,1,0,0,0,0|2,0,0]=4 11263 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100009817727_100000211926 [1,1,0,0,0,0|2,0,0]=4 11264 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100016997473_100009831999 [1,1,0,0,0,0|2,0,0]=4 11265 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100009817727_100000211926 [1,1,0,0,0,0|2,0,0]=4 11266 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100016990907_100009831999 [1,1,0,0,0,0|2,0,0]=4 11267 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [1,1,0,0,0,0|2,0,0]=4 11268 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [1,1,0,0,0,0|2,0,0]=4 11269 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [1,1,0,0,0,0|2,0,0]=4 11270 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [1,1,0,0,0,0|2,0,0]=4 11271 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100000101913_100000211926 [1,1,0,0,0,0|2,0,0]=4 11272 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100016997473_100009820150 [1,1,0,0,0,0|2,0,0]=4 11273 B12R1.1 OCCNCc1ccc(nc1)F 34a_100000101913_100000211926 [1,1,0,0,0,0|2,0,0]=4 11274 B12R1.1 OCCNCc1ccc(nc1)F 34a_100016990907_100000099788 [1,1,0,0,0,0|2,0,0]=4 11275 B12R1.1 OCCNCc1ccc(nc1)O 207a_100000210304_100011361521 [1,1,0,0,0,0|2,0,0]=4 11276 B12R1.1 OCCNCc1ccc(nc1)O 2230a_100000757128_100000211926 [1,1,0,0,0,0|2,0,0]=4 11277 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [1,1,0,0,0,0|1,0,0]=3 11278 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [1,1,0,0,0,0|1,0,0]=3 11279 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [1,1,0,0,0,0|1,0,0]=3 11280 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [1,1,0,0,0,0|1,0,0]=3 11281 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [1,1,0,0,0,0|1,0,0]=3 11282 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [1,1,0,0,0,0|1,0,0]=3 11283 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [1,1,0,0,0,0|1,0,0]=3 11284 B12R1.1 OCCOCc1ccc(cn1)Br 34a_100000754261_100000211926 [1,1,0,0,0,0|2,0,0]=4 11285 B12R1.1 OCCOCc1ccc(cn1)Cl 34a_100000703999_100000211926 [1,1,0,0,0,0|2,0,0]=4 11286 B12R1.1 OCCOCc1ccc(cn1)F 34a_100011999454_100000211926 [1,1,0,0,0,0|2,0,0]=4 11287 B12R1.1 OCCOCc1ccc(nc1)Br 34a_100009816760_100000211926 [1,1,0,0,0,0|2,0,0]=4 11288 B12R1.1 OCCOCc1ccc(nc1)Br 7a_100009816760_100000211926 [1,1,0,0,0,0|2,0,0]=4 11289 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [1,1,0,0,0,0|2,0,0]=4 11290 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [1,1,0,0,0,0|2,0,0]=4 11291 B12R1.1 OCCOCc1ccc(nc1)F 34a_100000079959_100000211926 [1,1,0,0,0,0|2,0,0]=4 11292 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [1,1,0,0,0,0|1,0,0]=3 11293 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [1,1,0,0,0,0|1,0,0]=3 11294 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [1,1,0,0,0,0|1,0,0]=3 11295 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [1,1,0,0,0,0|1,0,0]=3 11296 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [1,1,0,0,0,0|1,0,0]=3 11297 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [1,1,0,0,0,0|1,0,0]=3 11298 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [1,1,0,0,0,0|1,0,0]=3 11299 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [1,1,0,0,0,0|1,0,0]=3 11300 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000211926_100000702658 [1,1,0,0,0,0|2,0,0]=4 11301 B12R1.1 OCCSCc1ccc(cn1)Br 62a_100000702658_100000211926 [1,1,0,0,0,0|2,0,0]=4 11302 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100000211926_100000697101 [1,1,0,0,0,0|2,0,0]=4 11303 B12R1.1 OCCSCc1ccc(cn1)Cl 62a_100012066911_100000211926 [1,1,0,0,0,0|2,0,0]=4 11304 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000211926_100000703193 [1,1,0,0,0,0|2,0,0]=4 11305 B12R1.1 OCCSCc1ccc(cn1)F 62a_100000703193_100000211926 [1,1,0,0,0,0|2,0,0]=4 11306 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100000211926_100009831999 [1,1,0,0,0,0|2,0,0]=4 11307 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100009831999_100000211926 [1,1,0,0,0,0|2,0,0]=4 11308 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [1,1,0,0,0,0|2,0,0]=4 11309 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [1,1,0,0,0,0|2,0,0]=4 11310 B12R1.1 OCCSCc1ccc(nc1)F 62a_100000211926_100000099788 [1,1,0,0,0,0|2,0,0]=4 11311 B12R1.1 OCCSCc1ccc(nc1)F 62a_100009820150_100000211926 [1,1,0,0,0,0|2,0,0]=4 11312 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [1,1,0,0,0,0|2,0,0]=4 11313 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [1,1,0,0,0,0|2,0,0]=4 11314 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [1,1,0,0,0,0|2,0,0]=4 11315 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [1,1,0,0,0,0|2,0,0]=4 11316 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [1,1,0,0,0,0|2,0,0]=4 11317 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [1,1,0,0,0,0|2,0,0]=4 11318 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [1,1,0,0,0,0|1,0,0]=3 11319 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [1,1,0,0,0,0|1,0,0]=3 11320 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [1,1,0,0,0,0|1,0,0]=3 11321 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [1,1,0,0,0,0|1,0,0]=3 11322 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [1,1,0,0,0,0|1,0,0]=3 11323 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [1,1,0,0,0,0|1,0,0]=3 11324 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [1,1,0,0,0,0|2,0,0]=4 11325 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [1,1,0,0,0,0|2,0,0]=4 11326 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [1,1,0,0,0,0|2,0,0]=4 11327 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [1,1,0,0,0,0|2,0,0]=4 11328 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [1,1,0,0,0,0|2,0,0]=4 11329 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [1,1,0,0,0,0|2,0,0]=4 11330 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [1,1,0,0,0,0|2,0,0]=4 11331 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [1,1,0,0,0,0|2,0,0]=4 11332 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [1,1,0,0,0,0|1,0,0]=3 11333 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [1,1,0,0,0,0|1,0,0]=3 11334 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [1,1,0,0,0,0|1,0,0]=3 11335 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [1,1,0,0,0,0|1,0,0]=3 11336 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [1,1,0,0,0,0|1,0,0]=3 11337 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [1,1,0,0,0,0|1,0,0]=3 11338 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [1,1,0,0,0,0|2,0,0]=4 11339 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [1,1,0,0,0,0|2,0,0]=4 11340 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [1,1,0,0,0,0|2,0,0]=4 11341 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [1,1,0,0,0,0|2,0,0]=4 11342 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [1,1,0,0,0,0|2,0,0]=4 11343 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [1,1,0,0,0,0|2,0,0]=4 11344 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [1,1,0,0,0,0|2,0,0]=4 11345 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [1,1,0,0,0,0|2,0,0]=4 11346 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [1,1,0,0,0,0|2,0,0]=4 11347 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [1,1,0,0,0,0|1,0,0]=3 11348 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [1,1,0,0,0,0|1,0,0]=3 11349 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [1,1,0,0,0,0|1,0,0]=3 11350 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [1,1,0,0,0,0|1,0,0]=3 11351 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [1,1,0,0,0,0|1,0,0]=3 11352 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [1,1,0,0,0,0|1,0,0]=3 11353 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [1,1,0,0,0,0|2,0,0]=4 11354 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [1,1,0,0,0,0|2,0,0]=4 11355 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [1,1,0,0,0,0|2,0,0]=4 11356 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [1,1,0,0,0,0|2,0,0]=4 11357 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [1,1,0,0,0,0|2,0,0]=4 11358 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [1,1,0,0,0,0|2,0,0]=4 11359 B12R1.1 [O-][n+]1ccc(cc1)COCCO 34a_100000031831_100000211926 [1,1,0,0,0,0|2,0,0]=4 11360 B12R1.1 [O-][n+]1ccc(cc1)COCCO 7a_100000031831_100000211926 [1,1,0,0,0,0|2,0,0]=4 11361 B12R1.1 [O-][n+]1ccc(cc1)SCCCO 62a_100011215043_100000039755 [1,1,0,0,0,0|2,0,0]=4 11362 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [1,1,0,0,0,0|1,0,0]=3 11363 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [1,1,0,0,0,0|1,0,0]=3 11364 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [1,1,0,0,0,0|2,0,0]=4 11365 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [1,1,0,0,0,0|2,0,0]=4 11366 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [1,1,0,0,0,0|2,0,0]=4 11367 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [1,1,0,0,0,0|1,0,0]=3 11368 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [1,1,0,0,0,0|1,0,0]=3 11369 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [1,1,0,0,0,0|1,0,0]=3 11370 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [1,1,0,0,0,0|1,0,0]=3 11371 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [1,1,0,0,0,0|1,0,0]=3 11372 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [1,1,0,0,0,0|2,0,0]=4 11373 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [1,1,0,0,0,0|2,0,0]=4 11374 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [1,1,0,0,0,0|2,0,0]=4 11375 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [1,1,0,0,0,0|2,0,0]=4 11376 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [1,1,0,0,0,0|2,0,0]=4 11377 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [1,1,0,0,0,0|2,0,0]=4 11378 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [1,1,0,0,0,0|2,0,0]=4 11379 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,1,0,0,0,0|0,0,1]=3 11380 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,1,0,0,0,0|0,0,1]=3 11381 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [1,1,0,0,0,0|1,0,1]=4 11382 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [1,1,0,0,0,0|1,0,1]=4 11383 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [1,1,0,0,0,0|1,0,1]=4 11384 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [1,1,0,0,0,0|1,0,1]=4 11385 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [1,1,0,0,0,0|1,0,1]=4 11386 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [1,1,0,0,0,0|1,0,1]=4 11387 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [1,1,0,0,0,0|1,0,1]=4 11388 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [1,1,0,0,0,0|1,0,1]=4 11389 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [1,1,0,0,0,0|1,0,1]=4 11390 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [1,1,0,0,0,0|1,0,1]=4 11391 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [1,1,0,0,0,0|1,0,1]=4 11392 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [1,1,0,0,0,0|1,0,1]=4 11393 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [1,1,0,0,0,0|1,0,1]=4 11394 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [1,1,0,0,0,0|1,0,1]=4 11395 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [1,1,0,0,0,0|1,0,1]=4 11396 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [1,1,0,0,0,0|1,0,0]=3 11397 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [1,1,0,0,0,0|1,0,0]=3 11398 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [1,1,0,0,0,0|1,0,0]=3 11399 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [1,1,0,0,0,0|2,0,0]=4 11400 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [1,1,0,0,0,0|2,0,0]=4 11401 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [1,1,0,0,0,0|2,0,0]=4 11402 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [1,1,0,0,0,0|1,0,0]=3 11403 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [1,1,0,0,0,0|1,0,0]=3 11404 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [1,1,0,0,0,0|2,0,0]=4 11405 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [1,1,0,0,0,0|2,0,0]=4 11406 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [1,1,0,0,0,0|2,0,0]=4 11407 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [1,1,0,0,0,0|2,0,0]=4 11408 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [1,1,0,0,0,0|2,0,0]=4 11409 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [1,1,0,0,0,0|2,0,0]=4 11410 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [1,1,0,0,0,0|1,0,0]=3 11411 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [1,1,0,0,0,0|1,0,0]=3 11412 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [1,1,0,0,0,0|1,0,0]=3 11413 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [1,1,0,0,0,0|1,0,0]=3 11414 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [1,1,0,0,0,0|1,0,0]=3 11415 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [1,1,0,0,0,0|2,0,0]=4 11416 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [1,1,0,0,0,0|2,0,0]=4 11417 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [1,1,0,0,0,0|2,0,0]=4 11418 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [1,1,0,0,0,0|2,0,0]=4 11419 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [1,1,0,0,0,0|2,0,0]=4 11420 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [1,1,0,0,0,0|2,0,0]=4 11421 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [1,1,0,0,0,0|2,0,0]=4 11422 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [1,1,0,0,0,0|2,0,0]=4 11423 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [1,1,0,0,0,0|1,0,0]=3 11424 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [1,1,0,0,0,0|1,0,0]=3 11425 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [1,1,0,0,0,0|1,0,0]=3 11426 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [1,1,0,0,0,0|2,0,0]=4 11427 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [1,1,0,0,0,0|2,0,0]=4 11428 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [1,1,0,0,0,0|2,0,0]=4 11429 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [1,1,0,0,0,0|1,0,0]=3 11430 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [1,1,0,0,0,0|1,0,0]=3 11431 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [1,1,0,0,0,0|2,0,0]=4 11432 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [1,1,0,0,0,0|2,0,0]=4 11433 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [1,1,0,0,0,0|2,0,0]=4 11434 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [1,1,0,0,0,0|2,0,0]=4 11435 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [1,1,0,0,0,0|2,0,0]=4 11436 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [1,1,0,0,0,0|2,0,0]=4 11437 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [1,1,0,0,0,0|1,0,0]=3 11438 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [1,1,0,0,0,0|1,0,0]=3 11439 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [1,1,0,0,0,0|1,0,0]=3 11440 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [1,1,0,0,0,0|2,0,0]=4 11441 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [1,1,0,0,0,0|2,0,0]=4 11442 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [1,1,0,0,0,0|2,0,0]=4 11443 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [1,1,0,0,0,0|1,0,0]=3 11444 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [1,1,0,0,0,0|1,0,0]=3 11445 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [1,1,0,0,0,0|2,0,0]=4 11446 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [1,1,0,0,0,0|2,0,0]=4 11447 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [1,1,0,0,0,0|2,0,0]=4 11448 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [1,1,0,0,0,0|2,0,0]=4 11449 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [1,1,0,0,0,0|2,0,0]=4 11450 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [1,1,0,0,0,0|2,0,0]=4 11451 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [1,1,0,0,0,0|1,0,0]=3 11452 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [1,1,0,0,0,0|1,0,0]=3 11453 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [1,1,0,0,0,0|1,0,0]=3 11454 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [1,1,0,0,0,0|1,0,0]=3 11455 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [1,1,0,0,0,0|1,0,0]=3 11456 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [1,1,0,0,0,0|1,0,0]=3 11457 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [1,1,0,0,0,0|2,0,0]=4 11458 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [1,1,0,0,0,0|2,0,0]=4 11459 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [1,1,0,0,0,0|2,0,0]=4 11460 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [1,1,0,0,0,0|2,0,0]=4 11461 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [1,1,0,0,0,0|2,0,0]=4 11462 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [1,1,0,0,0,0|2,0,0]=4 11463 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [1,1,0,0,0,0|2,0,0]=4 11464 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [1,1,0,0,0,0|2,0,0]=4 11465 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [1,1,0,0,0,0|2,0,0]=4 11466 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [1,1,0,0,0,0|2,0,0]=4 11467 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [1,1,0,0,0,0|2,0,0]=4 11468 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [1,1,0,0,0,0|2,0,0]=4 11469 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [1,1,0,0,0,0|2,0,0]=4 11470 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [1,1,0,0,0,0|2,0,0]=4 11471 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [1,1,0,0,0,0|2,0,0]=4 11472 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [1,1,0,0,0,0|2,0,0]=4 11473 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [1,1,0,0,0,0|1,0,0]=3 11474 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [1,1,0,0,0,0|1,0,0]=3 11475 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [1,1,0,0,0,0|2,0,0]=4 11476 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [1,1,0,0,0,0|2,0,0]=4 11477 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [1,1,0,0,0,0|1,0,0]=3 11478 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [1,1,0,0,0,0|1,0,0]=3 11479 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [1,1,0,0,0,0|1,0,0]=3 11480 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [1,1,0,0,0,0|2,0,0]=4 11481 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [1,1,0,0,0,0|2,0,0]=4 11482 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [1,1,0,0,0,0|2,0,0]=4 11483 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [1,1,0,0,0,0|1,0,0]=3 11484 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [1,1,0,0,0,0|1,0,0]=3 11485 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [1,1,0,0,0,0|2,0,0]=4 11486 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [1,1,0,0,0,0|2,0,0]=4 11487 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [1,1,0,0,0,0|2,0,0]=4 11488 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [1,1,0,0,0,0|2,0,0]=4 11489 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [1,1,0,0,0,0|2,0,0]=4 11490 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [1,1,0,0,0,0|2,0,0]=4 11491 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [1,1,0,0,0,0|2,0,0]=4 11492 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,1,0,0,0,0|1,0,1]=4 11493 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,1,0,0,0,0|1,0,1]=4 11494 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,1,0,0,0,0|1,0,1]=4 11495 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,1,0,0,0,0|1,0,1]=4 11496 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [1,1,0,0,0,0|1,0,0]=3 11497 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [1,1,0,0,0,0|1,0,0]=3 11498 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [1,1,0,0,0,0|1,0,0]=3 11499 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [1,1,0,0,0,0|2,0,0]=4 11500 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [1,1,0,0,0,0|2,0,0]=4 11501 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [1,1,0,0,0,0|2,0,0]=4 11502 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [1,1,0,0,0,0|2,0,0]=4 11503 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [1,1,0,0,0,0|2,0,0]=4 11504 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [1,1,0,0,0,0|2,0,0]=4 11505 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [1,1,0,0,0,0|2,0,0]=4 11506 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [1,1,0,0,0,0|2,0,0]=4 11507 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [1,1,0,0,0,0|1,0,0]=3 11508 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [1,1,0,0,0,0|1,0,0]=3 11509 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [1,1,0,0,0,0|1,0,0]=3 11510 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [1,1,0,0,0,0|1,0,0]=3 11511 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [1,1,0,0,0,0|1,0,0]=3 11512 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [1,1,0,0,0,0|1,0,0]=3 11513 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [1,1,0,0,0,0|1,0,0]=3 11514 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [1,1,0,0,0,0|2,0,0]=4 11515 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [1,1,0,0,0,0|2,0,0]=4 11516 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [1,1,0,0,0,0|2,0,0]=4 11517 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [1,1,0,0,0,0|1,0,0]=3 11518 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [1,1,0,0,0,0|1,0,0]=3 11519 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [1,1,0,0,0,0|2,0,0]=4 11520 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [1,1,0,0,0,0|2,0,0]=4 11521 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [1,1,0,0,0,0|2,0,0]=4 11522 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [1,1,0,0,0,0|2,0,0]=4 11523 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [1,1,0,0,0,0|2,0,0]=4 11524 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [1,1,0,0,0,0|2,0,0]=4 11525 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [1,1,0,0,0,0|2,0,0]=4 11526 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [1,1,0,0,0,0|2,0,0]=4 11527 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [1,1,0,0,0,0|1,0,0]=3 11528 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [1,1,0,0,0,0|1,0,0]=3 11529 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [1,1,0,0,0,0|1,0,0]=3 11530 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [1,1,0,0,0,0|2,0,0]=4 11531 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [1,1,0,0,0,0|2,0,0]=4 11532 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [1,1,0,0,0,0|2,0,0]=4 11533 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [1,1,0,0,0,0|2,0,0]=4 11534 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [1,1,0,0,0,0|2,0,0]=4 11535 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [1,1,0,0,0,0|2,0,0]=4 11536 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [1,1,0,0,0,0|2,0,0]=4 11537 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [1,1,0,0,0,0|2,0,0]=4 11538 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [1,1,0,0,0,0|1,0,0]=3 11539 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [1,1,0,0,0,0|1,0,0]=3 11540 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [1,1,0,0,0,0|2,0,0]=4 11541 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [1,1,0,0,0,0|2,0,0]=4 11542 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [1,1,0,0,0,0|2,0,0]=4 11543 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [1,1,0,0,0,0|2,0,0]=4 11544 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [1,1,0,0,0,0|2,0,0]=4 11545 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [1,1,0,0,0,0|2,0,0]=4 11546 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,1,0,0,0,0|1,0,1]=4 11547 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|0,0,1]=3 11548 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [1,1,0,0,0,0|1,0,1]=4 11549 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [1,1,0,0,0,0|1,0,1]=4 11550 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [1,1,0,0,0,0|1,0,1]=4 11551 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,1,0,0,0,0|1,0,1]=4 11552 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,1,0,0,0,0|1,0,1]=4 11553 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [1,1,0,0,0,0|1,0,0]=3 11554 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [1,1,0,0,0,0|1,0,0]=3 11555 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [1,1,0,0,0,0|1,0,0]=3 11556 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [1,1,0,0,0,0|2,0,0]=4 11557 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [1,1,0,0,0,0|2,0,0]=4 11558 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [1,1,0,0,0,0|2,0,0]=4 11559 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [1,1,0,0,0,0|1,0,0]=3 11560 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [1,1,0,0,0,0|1,0,0]=3 11561 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [1,1,0,0,0,0|2,0,0]=4 11562 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [1,1,0,0,0,0|2,0,0]=4 11563 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [1,1,0,0,0,0|2,0,0]=4 11564 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [1,1,0,0,0,0|2,0,0]=4 11565 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [1,1,0,0,0,0|2,0,0]=4 11566 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [1,1,0,0,0,0|2,0,0]=4 11567 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [1,1,0,0,0,0|1,0,0]=3 11568 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [1,1,0,0,0,0|1,0,0]=3 11569 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [1,1,0,0,0,0|1,0,0]=3 11570 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [1,1,0,0,0,0|2,0,0]=4 11571 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [1,1,0,0,0,0|2,0,0]=4 11572 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [1,1,0,0,0,0|2,0,0]=4 11573 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [1,1,0,0,0,0|1,0,0]=3 11574 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [1,1,0,0,0,0|1,0,0]=3 11575 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [1,1,0,0,0,0|2,0,0]=4 11576 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [1,1,0,0,0,0|2,0,0]=4 11577 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [1,1,0,0,0,0|2,0,0]=4 11578 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [1,1,0,0,0,0|2,0,0]=4 11579 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [1,1,0,0,0,0|2,0,0]=4 11580 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [1,1,0,0,0,0|2,0,0]=4 11581 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [1,1,0,0,0,0|2,0,0]=4 11582 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [1,1,0,0,0,0|2,0,0]=4 11583 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [1,1,0,0,0,0|2,0,0]=4 11584 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [1,1,0,0,0,0|2,0,0]=4 11585 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [1,1,0,0,0,0|2,0,0]=4 11586 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [1,1,0,0,0,0|2,0,0]=4 11587 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [1,1,0,0,0,0|2,0,0]=4 11588 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [1,1,0,0,0,0|0,0,2]=4 11589 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [1,1,0,0,0,0|0,0,2]=4 11590 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [1,1,0,0,0,0|0,0,2]=4 11591 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [1,1,0,0,0,0|0,0,2]=4 11592 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [1,1,0,0,0,0|0,0,2]=4 11593 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [1,1,0,0,0,0|0,0,2]=4 11594 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [1,1,0,0,0,0|0,0,2]=4 11595 B12R1.28 CCCCNc1cc(ccn1)F 27a_100000102301_100000764206 [1,1,0,0,0,0|2,0,0]=4 11596 B12R1.28 CCCCNc1cc[nH]c(=O)c1 27a_100000102301_100000061649 [1,1,0,0,0,0|2,0,0]=4 11597 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [1,1,0,0,0,0|1,0,0]=3 11598 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [1,1,0,0,0,0|1,0,0]=3 11599 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [1,1,0,0,0,0|1,0,0]=3 11600 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [1,1,0,0,0,0|1,0,0]=3 11601 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [1,1,0,0,0,0|1,0,0]=3 11602 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [1,1,0,0,0,0|1,0,0]=3 11603 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [1,1,0,0,0,0|1,0,0]=3 11604 B12R1.28 CCCCNc1cccc(n1)F 27a_100000102301_100009815982 [1,1,0,0,0,0|2,0,0]=4 11605 B12R1.28 CCCCNc1ccnc(c1)C 27a_100000102301_100000758586 [1,1,0,0,0,0|2,0,0]=4 11606 B12R1.28 CCCCNc1ccnc(c1)F 27a_100000102301_100009816116 [1,1,0,0,0,0|2,0,0]=4 11607 B12R1.28 CCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210210 [1,1,0,0,0,0|2,0,0]=4 11608 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210210 [1,1,0,0,0,0|2,0,0]=4 11609 B12R1.28 CCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210211 [1,1,0,0,0,0|2,0,0]=4 11610 B12R1.28 CCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210210 [1,1,0,0,0,0|2,0,0]=4 11611 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [1,1,0,0,0,0|1,0,0]=3 11612 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [1,1,0,0,0,0|1,0,0]=3 11613 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [1,1,0,0,0,0|1,0,0]=3 11614 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [1,1,0,0,0,0|1,0,0]=3 11615 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [1,1,0,0,0,0|1,0,0]=3 11616 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [1,1,0,0,0,0|1,0,0]=3 11617 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [1,1,0,0,0,0|1,0,0]=3 11618 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [1,1,0,0,0,0|1,0,0]=3 11619 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [1,1,0,0,0,0|1,0,0]=3 11620 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [1,1,0,0,0,0|1,0,0]=3 11621 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [1,1,0,0,0,0|1,0,0]=3 11622 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [1,1,0,0,0,0|1,0,0]=3 11623 B12R1.28 CCCCOc1cccc(n1)F 34a_100011432558_100000210210 [1,1,0,0,0,0|2,0,0]=4 11624 B12R1.28 CCCCOc1cccc(n1)O 271570a_203496583355_200011960251 [1,1,0,0,0,0|2,0,0]=4 11625 B12R1.28 CCCCOc1ccnc(c1)C 34a_100000688365_100000210210 [1,1,0,0,0,0|2,0,0]=4 11626 B12R1.28 CCCCOc1ccnc(c1)Cl 34a_100000762945_100000210210 [1,1,0,0,0,0|2,0,0]=4 11627 B12R1.28 CCCCOc1ccnc(c1)F 34a_100000732698_100000210210 [1,1,0,0,0,0|2,0,0]=4 11628 B12R1.28 CCCCOc1ccnc(c1)N 34a_100011834064_100000210210 [1,1,0,0,0,0|2,0,0]=4 11629 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [1,1,0,0,0,0|2,0,0]=4 11630 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [1,1,0,0,0,0|2,0,0]=4 11631 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [1,1,0,0,0,0|2,0,0]=4 11632 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [1,1,0,0,0,0|2,0,0]=4 11633 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [1,1,0,0,0,0|2,0,0]=4 11634 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [1,1,0,0,0,0|2,0,0]=4 11635 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [1,1,0,0,0,0|2,0,0]=4 11636 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [1,1,0,0,0,0|2,0,0]=4 11637 B12R1.28 CCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210210 [1,1,0,0,0,0|2,0,0]=4 11638 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000210211_100000750283 [1,1,0,0,0,0|2,0,0]=4 11639 B12R1.28 CCCCSc1cc(ccn1)C 62a_100000750283_100000210210 [1,1,0,0,0,0|2,0,0]=4 11640 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100000210211_100010167805 [1,1,0,0,0,0|2,0,0]=4 11641 B12R1.28 CCCCSc1cc(ccn1)Cl 62a_100010167805_100000210210 [1,1,0,0,0,0|2,0,0]=4 11642 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000210211_100000764206 [1,1,0,0,0,0|2,0,0]=4 11643 B12R1.28 CCCCSc1cc(ccn1)F 62a_100000764206_100000210210 [1,1,0,0,0,0|2,0,0]=4 11644 B12R1.28 CCCCSc1cc(ccn1)N 62a_100000210211_100009814236 [1,1,0,0,0,0|2,0,0]=4 11645 B12R1.28 CCCCSc1cc(ccn1)N 62a_100009814236_100000210210 [1,1,0,0,0,0|2,0,0]=4 11646 B12R1.28 CCCCSc1cc(ccn1)O 62a_100000210211_100000762945 [1,1,0,0,0,0|2,0,0]=4 11647 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100000210211_100009816521 [1,1,0,0,0,0|2,0,0]=4 11648 B12R1.28 CCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210210 [1,1,0,0,0,0|2,0,0]=4 11649 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100000210211_100009996589 [1,1,0,0,0,0|2,0,0]=4 11650 B12R1.28 CCCCSc1ccc[n+](c1)C 62a_100009996589_100000210210 [1,1,0,0,0,0|2,0,0]=4 11651 B12R1.28 CCCCSc1ccc[n+](c1)[O-] 62a_100000210211_100009815978 [1,1,0,0,0,0|2,0,0]=4 11652 B12R1.28 CCCCSc1cccc(=O)[nH]1 62a_100000210211_100000752884 [1,1,0,0,0,0|2,0,0]=4 11653 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [1,1,0,0,0,0|1,0,0]=3 11654 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [1,1,0,0,0,0|1,0,0]=3 11655 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [1,1,0,0,0,0|1,0,0]=3 11656 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [1,1,0,0,0,0|1,0,0]=3 11657 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [1,1,0,0,0,0|1,0,0]=3 11658 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [1,1,0,0,0,0|1,0,0]=3 11659 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [1,1,0,0,0,0|1,0,0]=3 11660 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [1,1,0,0,0,0|1,0,0]=3 11661 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [1,1,0,0,0,0|1,0,0]=3 11662 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [1,1,0,0,0,0|1,0,0]=3 11663 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [1,1,0,0,0,0|1,0,0]=3 11664 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [1,1,0,0,0,0|1,0,0]=3 11665 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [1,1,0,0,0,0|1,0,0]=3 11666 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [1,1,0,0,0,0|1,0,0]=3 11667 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000210211_100000684672 [1,1,0,0,0,0|2,0,0]=4 11668 B12R1.28 CCCCSc1cccc(n1)Br 62a_100000684672_100000210210 [1,1,0,0,0,0|2,0,0]=4 11669 B12R1.28 CCCCSc1cccc(n1)C 62a_100000210211_100000742759 [1,1,0,0,0,0|2,0,0]=4 11670 B12R1.28 CCCCSc1cccc(n1)C 62a_100000742759_100000210210 [1,1,0,0,0,0|2,0,0]=4 11671 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000051397_100000210210 [1,1,0,0,0,0|2,0,0]=4 11672 B12R1.28 CCCCSc1cccc(n1)Cl 62a_100000210211_100000051397 [1,1,0,0,0,0|2,0,0]=4 11673 B12R1.28 CCCCSc1cccc(n1)F 62a_100000210211_100009815982 [1,1,0,0,0,0|2,0,0]=4 11674 B12R1.28 CCCCSc1cccc(n1)F 62a_100009815982_100000210210 [1,1,0,0,0,0|2,0,0]=4 11675 B12R1.28 CCCCSc1cccc(n1)N 62a_100000210211_100000740741 [1,1,0,0,0,0|2,0,0]=4 11676 B12R1.28 CCCCSc1cccc(n1)N 62a_100000740741_100000210210 [1,1,0,0,0,0|2,0,0]=4 11677 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100000210211_100009814637 [1,1,0,0,0,0|2,0,0]=4 11678 B12R1.28 CCCCSc1ccnc(c1)Br 62a_100009814637_100000210210 [1,1,0,0,0,0|2,0,0]=4 11679 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000210211_100000758586 [1,1,0,0,0,0|2,0,0]=4 11680 B12R1.28 CCCCSc1ccnc(c1)C 62a_100000758586_100000210210 [1,1,0,0,0,0|2,0,0]=4 11681 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000035001_100000210210 [1,1,0,0,0,0|2,0,0]=4 11682 B12R1.28 CCCCSc1ccnc(c1)Cl 62a_100000210211_100000035001 [1,1,0,0,0,0|2,0,0]=4 11683 B12R1.28 CCCCSc1ccnc(c1)F 62a_100000210211_100009816116 [1,1,0,0,0,0|2,0,0]=4 11684 B12R1.28 CCCCSc1ccnc(c1)F 62a_100009816116_100000210210 [1,1,0,0,0,0|2,0,0]=4 11685 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000049665_100000210210 [1,1,0,0,0,0|2,0,0]=4 11686 B12R1.28 CCCCSc1ccnc(c1)N 62a_100000210211_100000049665 [1,1,0,0,0,0|2,0,0]=4 11687 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000210211_100000728054 [1,1,0,0,0,0|2,0,0]=4 11688 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000728054_100000210210 [1,1,0,0,0,0|2,0,0]=4 11689 B12R1.28 CCCCSc1cncc(c1)C 62a_100000210211_100000760492 [1,1,0,0,0,0|2,0,0]=4 11690 B12R1.28 CCCCSc1cncc(c1)C 62a_100000760492_100000210210 [1,1,0,0,0,0|2,0,0]=4 11691 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000049639_100000210210 [1,1,0,0,0,0|2,0,0]=4 11692 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000210211_100000049639 [1,1,0,0,0,0|2,0,0]=4 11693 B12R1.28 CCCCSc1cncc(c1)F 62a_100000210211_100000744099 [1,1,0,0,0,0|2,0,0]=4 11694 B12R1.28 CCCCSc1cncc(c1)F 62a_100000744099_100000210210 [1,1,0,0,0,0|2,0,0]=4 11695 B12R1.28 CCCCSc1cncc(c1)N 62a_100000210211_100000687067 [1,1,0,0,0,0|2,0,0]=4 11696 B12R1.28 CCCCSc1cncc(c1)N 62a_100000687067_100000210210 [1,1,0,0,0,0|2,0,0]=4 11697 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [1,1,0,0,0,0|2,0,0]=4 11698 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [1,1,0,0,0,0|2,0,0]=4 11699 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [1,1,0,0,0,0|2,0,0]=4 11700 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [1,1,0,0,0,0|2,0,0]=4 11701 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [1,1,0,0,0,0|2,0,0]=4 11702 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [1,1,0,0,0,0|2,0,0]=4 11703 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [1,1,0,0,0,0|2,0,0]=4 11704 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [1,1,0,0,0,0|2,0,0]=4 11705 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [1,1,0,0,0,0|1,0,0]=3 11706 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [1,1,0,0,0,0|1,0,0]=3 11707 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [1,1,0,0,0,0|1,0,0]=3 11708 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [1,1,0,0,0,0|1,0,0]=3 11709 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [1,1,0,0,0,0|1,0,0]=3 11710 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [1,1,0,0,0,0|1,0,0]=3 11711 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [1,1,0,0,0,0|1,0,0]=3 11712 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [1,1,0,0,0,0|1,0,0]=3 11713 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [1,1,0,0,0,0|1,0,0]=3 11714 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [1,1,0,0,0,0|1,0,0]=3 11715 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [1,1,0,0,0,0|1,0,0]=3 11716 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [1,1,0,0,0,0|1,0,0]=3 11717 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [1,1,0,0,0,0|1,0,0]=3 11718 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [1,1,0,0,0,0|1,0,0]=3 11719 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [1,1,0,0,0,0|1,0,0]=3 11720 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [1,1,0,0,0,0|1,0,0]=3 11721 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [1,1,0,0,0,0|1,0,0]=3 11722 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [1,1,0,0,0,0|1,0,0]=3 11723 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [1,1,0,0,0,0|1,0,0]=3 11724 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [1,1,0,0,0,0|1,0,0]=3 11725 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [1,1,0,0,0,0|1,0,0]=3 11726 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [1,1,0,0,0,0|1,0,0]=3 11727 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [1,1,0,0,0,0|1,0,0]=3 11728 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [1,1,0,0,0,0|1,0,0]=3 11729 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [1,1,0,0,0,0|1,0,0]=3 11730 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [1,1,0,0,0,0|2,0,0]=4 11731 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [1,1,0,0,0,0|2,0,0]=4 11732 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [1,1,0,0,0,0|2,0,0]=4 11733 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [1,1,0,0,0,0|2,0,0]=4 11734 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [1,1,0,0,0,0|2,0,0]=4 11735 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [1,1,0,0,0,0|2,0,0]=4 11736 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [1,1,0,0,0,0|2,0,0]=4 11737 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [1,1,0,0,0,0|2,0,0]=4 11738 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [1,1,0,0,0,0|2,0,0]=4 11739 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [1,1,0,0,0,0|2,0,0]=4 11740 B12R1.28 CCCNCc1ccnc(c1)Br 2230a_100025757509_100000210303 [1,1,0,0,0,0|2,0,0]=4 11741 B12R1.28 CCCNCc1ccnc(c1)Br 270004a_100020643023_100009814634 [1,1,0,0,0,0|2,0,0]=4 11742 B12R1.28 CCCNCc1ccnc(c1)Br 34a_100025757509_100000210303 [1,1,0,0,0,0|2,0,0]=4 11743 B12R1.28 CCCNCc1ccnc(c1)C 207a_100020643023_100011361630 [1,1,0,0,0,0|2,0,0]=4 11744 B12R1.28 CCCNCc1ccnc(c1)C 270004a_100020643023_100011361630 [1,1,0,0,0,0|2,0,0]=4 11745 B12R1.28 CCCNCc1ccnc(c1)C 34a_100011934566_100000210303 [1,1,0,0,0,0|2,0,0]=4 11746 B12R1.28 CCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210303 [1,1,0,0,0,0|2,0,0]=4 11747 B12R1.28 CCCNCc1ccnc(c1)Cl 270004a_100020643023_100011290808 [1,1,0,0,0,0|2,0,0]=4 11748 B12R1.28 CCCNCc1ccnc(c1)Cl 34a_100015205668_100000210303 [1,1,0,0,0,0|2,0,0]=4 11749 B12R1.28 CCCNCc1ccnc(c1)F 2230a_100015188774_100000210303 [1,1,0,0,0,0|2,0,0]=4 11750 B12R1.28 CCCNCc1ccnc(c1)F 270004a_100020643023_100000068331 [1,1,0,0,0,0|2,0,0]=4 11751 B12R1.28 CCCNCc1ccnc(c1)F 34a_100015188774_100000210303 [1,1,0,0,0,0|2,0,0]=4 11752 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [1,1,0,0,0,0|2,0,0]=4 11753 B12R1.28 CCCNCc1cncc(c1)Br 207a_100020643023_100000687066 [1,1,0,0,0,0|2,0,0]=4 11754 B12R1.28 CCCNCc1cncc(c1)Br 270004a_100020643023_100000687066 [1,1,0,0,0,0|2,0,0]=4 11755 B12R1.28 CCCNCc1cncc(c1)C 207a_100020643023_100011998712 [1,1,0,0,0,0|2,0,0]=4 11756 B12R1.28 CCCNCc1cncc(c1)C 2230a_100000692839_100000210303 [1,1,0,0,0,0|2,0,0]=4 11757 B12R1.28 CCCNCc1cncc(c1)C 270004a_100020643023_100011998712 [1,1,0,0,0,0|2,0,0]=4 11758 B12R1.28 CCCNCc1cncc(c1)C 34a_100000692839_100000210303 [1,1,0,0,0,0|2,0,0]=4 11759 B12R1.28 CCCNCc1cncc(c1)Cl 207a_100020643023_100000088910 [1,1,0,0,0,0|2,0,0]=4 11760 B12R1.28 CCCNCc1cncc(c1)Cl 2230a_200020614424_100000210303 [1,1,0,0,0,0|2,0,0]=4 11761 B12R1.28 CCCNCc1cncc(c1)Cl 270004a_100020643023_100000088910 [1,1,0,0,0,0|2,0,0]=4 11762 B12R1.28 CCCNCc1cncc(c1)F 207a_100020643023_100011361476 [1,1,0,0,0,0|2,0,0]=4 11763 B12R1.28 CCCNCc1cncc(c1)F 2230a_100011962886_100000210303 [1,1,0,0,0,0|2,0,0]=4 11764 B12R1.28 CCCNCc1cncc(c1)F 270004a_100020643023_100011361476 [1,1,0,0,0,0|2,0,0]=4 11765 B12R1.28 CCCNCc1cncc(c1)F 34a_100011962886_100000210303 [1,1,0,0,0,0|2,0,0]=4 11766 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [1,1,0,0,0,0|2,0,0]=4 11767 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [1,1,0,0,0,0|2,0,0]=4 11768 B12R1.28 CCCOCc1cc(ccn1)Br 34a_100000210258_100010173614 [1,1,0,0,0,0|2,0,0]=4 11769 B12R1.28 CCCOCc1cc(ccn1)C 34a_100000210258_100000718516 [1,1,0,0,0,0|2,0,0]=4 11770 B12R1.28 CCCOCc1cc(ccn1)C 34a_100011998357_100000210303 [1,1,0,0,0,0|2,0,0]=4 11771 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000210258_100016988179 [1,1,0,0,0,0|2,0,0]=4 11772 B12R1.28 CCCOCc1cc(ccn1)Cl 34a_100000748867_100000210303 [1,1,0,0,0,0|2,0,0]=4 11773 B12R1.28 CCCOCc1cc(ccn1)N 34a_100000692640_100000210303 [1,1,0,0,0,0|2,0,0]=4 11774 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [1,1,0,0,0,0|2,0,0]=4 11775 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [1,1,0,0,0,0|2,0,0]=4 11776 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [1,1,0,0,0,0|1,0,0]=3 11777 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [1,1,0,0,0,0|1,0,0]=3 11778 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [1,1,0,0,0,0|1,0,0]=3 11779 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [1,1,0,0,0,0|1,0,0]=3 11780 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [1,1,0,0,0,0|1,0,0]=3 11781 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [1,1,0,0,0,0|1,0,0]=3 11782 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [1,1,0,0,0,0|1,0,0]=3 11783 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [1,1,0,0,0,0|1,0,0]=3 11784 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [1,1,0,0,0,0|1,0,0]=3 11785 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [1,1,0,0,0,0|1,0,0]=3 11786 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [1,1,0,0,0,0|1,0,0]=3 11787 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [1,1,0,0,0,0|1,0,0]=3 11788 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [1,1,0,0,0,0|1,0,0]=3 11789 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [1,1,0,0,0,0|1,0,0]=3 11790 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [1,1,0,0,0,0|1,0,0]=3 11791 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [1,1,0,0,0,0|1,0,0]=3 11792 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [1,1,0,0,0,0|1,0,0]=3 11793 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000210258_100009889011 [1,1,0,0,0,0|2,0,0]=4 11794 B12R1.28 CCCOCc1cccc(n1)Br 34a_100000694195_100000210303 [1,1,0,0,0,0|2,0,0]=4 11795 B12R1.28 CCCOCc1cccc(n1)C 34a_100000210258_100000757606 [1,1,0,0,0,0|2,0,0]=4 11796 B12R1.28 CCCOCc1cccc(n1)C 34a_100000690600_100000210303 [1,1,0,0,0,0|2,0,0]=4 11797 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100000210258_100000086093 [1,1,0,0,0,0|2,0,0]=4 11798 B12R1.28 CCCOCc1cccc(n1)Cl 34a_100011998359_100000210303 [1,1,0,0,0,0|2,0,0]=4 11799 B12R1.28 CCCOCc1cccc(n1)F 34a_100000086748_100000210303 [1,1,0,0,0,0|2,0,0]=4 11800 B12R1.28 CCCOCc1cccc(n1)F 34a_100000210258_100009819644 [1,1,0,0,0,0|2,0,0]=4 11801 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100000210258_100010243470 [1,1,0,0,0,0|2,0,0]=4 11802 B12R1.28 CCCOCc1ccnc(c1)Br 34a_100009814636_100000210303 [1,1,0,0,0,0|2,0,0]=4 11803 B12R1.28 CCCOCc1ccnc(c1)Br 7a_100009814636_100000210303 [1,1,0,0,0,0|2,0,0]=4 11804 B12R1.28 CCCOCc1ccnc(c1)C 34a_100000210258_200020672517 [1,1,0,0,0,0|2,0,0]=4 11805 B12R1.28 CCCOCc1ccnc(c1)C 34a_100011998630_100000210303 [1,1,0,0,0,0|2,0,0]=4 11806 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000210258_100000764220 [1,1,0,0,0,0|2,0,0]=4 11807 B12R1.28 CCCOCc1ccnc(c1)Cl 34a_100000748751_100000210303 [1,1,0,0,0,0|2,0,0]=4 11808 B12R1.28 CCCOCc1ccnc(c1)F 34a_100000082451_100000210303 [1,1,0,0,0,0|2,0,0]=4 11809 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [1,1,0,0,0,0|2,0,0]=4 11810 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [1,1,0,0,0,0|2,0,0]=4 11811 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [1,1,0,0,0,0|2,0,0]=4 11812 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [1,1,0,0,0,0|2,0,0]=4 11813 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [1,1,0,0,0,0|2,0,0]=4 11814 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [1,1,0,0,0,0|2,0,0]=4 11815 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [1,1,0,0,0,0|2,0,0]=4 11816 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [1,1,0,0,0,0|2,0,0]=4 11817 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [1,1,0,0,0,0|2,0,0]=4 11818 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [1,1,0,0,0,0|2,0,0]=4 11819 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [1,1,0,0,0,0|2,0,0]=4 11820 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [1,1,0,0,0,0|2,0,0]=4 11821 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [1,1,0,0,0,0|2,0,0]=4 11822 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100000210303_100010173614 [1,1,0,0,0,0|2,0,0]=4 11823 B12R1.28 CCCSCc1cc(ccn1)Br 62a_100010173614_100000210303 [1,1,0,0,0,0|2,0,0]=4 11824 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000210303_100000718516 [1,1,0,0,0,0|2,0,0]=4 11825 B12R1.28 CCCSCc1cc(ccn1)C 62a_100000718516_100000210303 [1,1,0,0,0,0|2,0,0]=4 11826 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100000210303_100016988179 [1,1,0,0,0,0|2,0,0]=4 11827 B12R1.28 CCCSCc1cc(ccn1)Cl 62a_100016988179_100000210303 [1,1,0,0,0,0|2,0,0]=4 11828 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [1,1,0,0,0,0|1,0,0]=3 11829 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [1,1,0,0,0,0|1,0,0]=3 11830 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [1,1,0,0,0,0|1,0,0]=3 11831 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [1,1,0,0,0,0|1,0,0]=3 11832 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [1,1,0,0,0,0|1,0,0]=3 11833 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [1,1,0,0,0,0|1,0,0]=3 11834 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [1,1,0,0,0,0|1,0,0]=3 11835 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [1,1,0,0,0,0|1,0,0]=3 11836 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [1,1,0,0,0,0|1,0,0]=3 11837 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [1,1,0,0,0,0|1,0,0]=3 11838 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [1,1,0,0,0,0|1,0,0]=3 11839 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [1,1,0,0,0,0|1,0,0]=3 11840 B12R1.28 CCCSCc1cccc(n1)Br 62a_100000210303_100009889011 [1,1,0,0,0,0|2,0,0]=4 11841 B12R1.28 CCCSCc1cccc(n1)Br 62a_100009889011_100000210303 [1,1,0,0,0,0|2,0,0]=4 11842 B12R1.28 CCCSCc1cccc(n1)C 62a_100000210303_100000757606 [1,1,0,0,0,0|2,0,0]=4 11843 B12R1.28 CCCSCc1cccc(n1)C 62a_100000757606_100000210303 [1,1,0,0,0,0|2,0,0]=4 11844 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000086093_100000210303 [1,1,0,0,0,0|2,0,0]=4 11845 B12R1.28 CCCSCc1cccc(n1)Cl 62a_100000210303_100000086093 [1,1,0,0,0,0|2,0,0]=4 11846 B12R1.28 CCCSCc1cccc(n1)F 62a_100000210303_100009819644 [1,1,0,0,0,0|2,0,0]=4 11847 B12R1.28 CCCSCc1cccc(n1)F 62a_100009819644_100000210303 [1,1,0,0,0,0|2,0,0]=4 11848 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100000210303_100010243470 [1,1,0,0,0,0|2,0,0]=4 11849 B12R1.28 CCCSCc1ccnc(c1)Br 62a_100010254460_100000210303 [1,1,0,0,0,0|2,0,0]=4 11850 B12R1.28 CCCSCc1ccnc(c1)C 62a_100000210303_200020672517 [1,1,0,0,0,0|2,0,0]=4 11851 B12R1.28 CCCSCc1ccnc(c1)C 62a_200020672517_100000210303 [1,1,0,0,0,0|2,0,0]=4 11852 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000210303_100000764220 [1,1,0,0,0,0|2,0,0]=4 11853 B12R1.28 CCCSCc1ccnc(c1)Cl 62a_100000764220_100000210303 [1,1,0,0,0,0|2,0,0]=4 11854 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000210303_100000738771 [1,1,0,0,0,0|2,0,0]=4 11855 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000738771_100000210303 [1,1,0,0,0,0|2,0,0]=4 11856 B12R1.28 CCCSCc1cncc(c1)C 62a_100000210303_100000716715 [1,1,0,0,0,0|2,0,0]=4 11857 B12R1.28 CCCSCc1cncc(c1)C 62a_100000716715_100000210303 [1,1,0,0,0,0|2,0,0]=4 11858 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100000210303_100016992070 [1,1,0,0,0,0|2,0,0]=4 11859 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100016992070_100000210303 [1,1,0,0,0,0|2,0,0]=4 11860 B12R1.28 CCCSCc1cncc(c1)F 62a_100000210303_100000725299 [1,1,0,0,0,0|2,0,0]=4 11861 B12R1.28 CCCSCc1cncc(c1)F 62a_100000725299_100000210303 [1,1,0,0,0,0|2,0,0]=4 11862 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [1,1,0,0,0,0|1,0,0]=3 11863 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [1,1,0,0,0,0|1,0,0]=3 11864 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [1,1,0,0,0,0|1,0,0]=3 11865 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [1,1,0,0,0,0|1,0,0]=3 11866 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [1,1,0,0,0,0|1,0,0]=3 11867 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [1,1,0,0,0,0|1,0,0]=3 11868 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [1,1,0,0,0,0|1,0,0]=3 11869 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [1,1,0,0,0,0|1,0,0]=3 11870 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [1,1,0,0,0,0|1,0,0]=3 11871 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [1,1,0,0,0,0|1,0,0]=3 11872 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [1,1,0,0,0,0|1,0,0]=3 11873 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [1,1,0,0,0,0|1,0,0]=3 11874 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [1,1,0,0,0,0|1,0,0]=3 11875 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [1,1,0,0,0,0|1,0,0]=3 11876 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [1,1,0,0,0,0|2,0,0]=4 11877 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [1,1,0,0,0,0|2,0,0]=4 11878 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [1,1,0,0,0,0|1,0,0]=3 11879 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [1,1,0,0,0,0|1,0,0]=3 11880 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [1,1,0,0,0,0|1,0,0]=3 11881 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [1,1,0,0,0,0|1,0,0]=3 11882 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [1,1,0,0,0,0|1,0,0]=3 11883 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [1,1,0,0,0,0|1,0,0]=3 11884 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [1,1,0,0,0,0|1,0,0]=3 11885 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [1,1,0,0,0,0|1,0,0]=3 11886 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [1,1,0,0,0,0|1,0,0]=3 11887 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [1,1,0,0,0,0|1,0,0]=3 11888 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [1,1,0,0,0,0|1,0,0]=3 11889 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [1,1,0,0,0,0|1,0,0]=3 11890 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [1,1,0,0,0,0|1,0,0]=3 11891 B12R1.28 CCOCCc1cccc(n1)Br 34a_100010221043_100000210202 [1,1,0,0,0,0|2,0,0]=4 11892 B12R1.28 CCOCCc1cccc(n1)Br 7a_100010221043_100000210202 [1,1,0,0,0,0|2,0,0]=4 11893 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000691529_100000739092 [1,1,0,0,0,0|2,0,0]=4 11894 B12R1.28 CCOCSc1cccc(c1)Br 62a_100000739092_100000691529 [1,1,0,0,0,0|2,0,0]=4 11895 B12R1.28 CCOCSc1cccc(c1)C 62a_100000739092_100011215228 [1,1,0,0,0,0|2,0,0]=4 11896 B12R1.28 CCOCSc1cccc(c1)C 62a_100011215228_100000739092 [1,1,0,0,0,0|2,0,0]=4 11897 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000699651_100000739092 [1,1,0,0,0,0|2,0,0]=4 11898 B12R1.28 CCOCSc1cccc(c1)Cl 62a_100000739092_100000699651 [1,1,0,0,0,0|2,0,0]=4 11899 B12R1.28 CCOCSc1cccc(c1)F 62a_100000685547_100000739092 [1,1,0,0,0,0|2,0,0]=4 11900 B12R1.28 CCOCSc1cccc(c1)F 62a_100000739092_100000685547 [1,1,0,0,0,0|2,0,0]=4 11901 B12R1.28 CCOCSc1cccc(c1)N 62a_100000210019_100000739092 [1,1,0,0,0,0|2,0,0]=4 11902 B12R1.28 CCOCSc1cccc(c1)N 62a_100000739092_100000210019 [1,1,0,0,0,0|2,0,0]=4 11903 B12R1.28 CCOCSc1cccc(c1)O 62a_100000739092_100000211634 [1,1,0,0,0,0|2,0,0]=4 11904 B12R1.28 CCOCSc1cccc(c1)[S] 62a_100000739092_114929384022 [1,1,0,0,0,0|2,0,0]=4 11905 B12R1.28 CCOCSc1cccc(c1)[S] 62a_114929384022_100000739092 [1,1,0,0,0,0|2,0,0]=4 11906 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [1,1,0,0,0,0|1,0,0]=3 11907 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [1,1,0,0,0,0|1,0,0]=3 11908 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [1,1,0,0,0,0|1,0,0]=3 11909 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [1,1,0,0,0,0|1,0,0]=3 11910 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [1,1,0,0,0,0|1,0,0]=3 11911 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [1,1,0,0,0,0|1,0,0]=3 11912 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [1,1,0,0,0,0|1,0,0]=3 11913 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [1,1,0,0,0,0|1,0,0]=3 11914 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [1,1,0,0,0,0|1,0,0]=3 11915 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [1,1,0,0,0,0|1,0,0]=3 11916 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [1,1,0,0,0,0|1,0,0]=3 11917 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [1,1,0,0,0,0|1,0,0]=3 11918 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [1,1,0,0,0,0|1,0,0]=3 11919 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [1,1,0,0,0,0|1,0,0]=3 11920 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [1,1,0,0,0,0|1,0,0]=3 11921 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [1,1,0,0,0,0|1,0,0]=3 11922 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [1,1,0,0,0,0|1,0,0]=3 11923 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [1,1,0,0,0,0|1,0,0]=3 11924 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [1,1,0,0,0,0|1,0,0]=3 11925 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [1,1,0,0,0,0|1,0,0]=3 11926 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [1,1,0,0,0,0|1,0,0]=3 11927 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [1,1,0,0,0,0|1,0,0]=3 11928 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [1,1,0,0,0,0|2,0,0]=4 11929 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [1,1,0,0,0,0|2,0,0]=4 11930 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [1,1,0,0,0,0|2,0,0]=4 11931 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [1,1,0,0,0,0|2,0,0]=4 11932 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [1,1,0,0,0,0|2,0,0]=4 11933 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [1,1,0,0,0,0|2,0,0]=4 11934 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [1,1,0,0,0,0|2,0,0]=4 11935 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [1,1,0,0,0,0|2,0,0]=4 11936 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [1,1,0,0,0,0|2,0,0]=4 11937 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [1,1,0,0,0,0|2,0,0]=4 11938 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [1,1,0,0,0,0|2,0,0]=4 11939 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [1,1,0,0,0,0|2,0,0]=4 11940 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [1,1,0,0,0,0|2,0,0]=4 11941 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [1,1,0,0,0,0|2,0,0]=4 11942 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [1,1,0,0,0,0|2,0,0]=4 11943 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [1,1,0,0,0,0|2,0,0]=4 11944 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [1,1,0,0,0,0|2,0,0]=4 11945 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [1,1,0,0,0,0|2,0,0]=4 11946 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [1,1,0,0,0,0|1,0,0]=3 11947 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [1,1,0,0,0,0|1,0,0]=3 11948 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [1,1,0,0,0,0|1,0,0]=3 11949 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [1,1,0,0,0,0|1,0,0]=3 11950 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [1,1,0,0,0,0|1,0,0]=3 11951 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [1,1,0,0,0,0|1,0,0]=3 11952 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [1,1,0,0,0,0|1,0,0]=3 11953 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [1,1,0,0,0,0|1,0,0]=3 11954 B12R1.28 COCCCc1cccc(n1)C 34a_100000211354_200000210301 [1,1,0,0,0,0|2,0,0]=4 11955 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [1,1,0,0,0,0|2,0,0]=4 11956 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [1,1,0,0,0,0|2,0,0]=4 11957 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [1,1,0,0,0,0|2,0,0]=4 11958 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [1,1,0,0,0,0|2,0,0]=4 11959 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [1,1,0,0,0,0|2,0,0]=4 11960 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [1,1,0,0,0,0|2,0,0]=4 11961 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [1,1,0,0,0,0|2,0,0]=4 11962 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [1,1,0,0,0,0|2,0,0]=4 11963 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 11964 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [1,1,0,0,0,0|2,0,0]=4 11965 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [1,1,0,0,0,0|2,0,0]=4 11966 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 11967 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [1,1,0,0,0,0|2,0,0]=4 11968 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [1,1,0,0,0,0|2,0,0]=4 11969 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [1,1,0,0,0,0|2,0,0]=4 11970 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [1,1,0,0,0,0|2,0,0]=4 11971 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [1,1,0,0,0,0|2,0,0]=4 11972 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [1,1,0,0,0,0|2,0,0]=4 11973 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [1,1,0,0,0,0|2,0,0]=4 11974 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [1,1,0,0,0,0|2,0,0]=4 11975 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [1,1,0,0,0,0|2,0,0]=4 11976 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [1,1,0,0,0,0|2,0,0]=4 11977 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [1,1,0,0,0,0|2,0,0]=4 11978 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [1,1,0,0,0,0|2,0,0]=4 11979 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [1,1,0,0,0,0|2,0,0]=4 11980 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [1,1,0,0,0,0|2,0,0]=4 11981 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [1,1,0,0,0,0|2,0,0]=4 11982 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [1,1,0,0,0,0|2,0,0]=4 11983 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [1,1,0,0,0,0|2,0,0]=4 11984 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [1,1,0,0,0,0|2,0,0]=4 11985 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [1,1,0,0,0,0|2,0,0]=4 11986 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [1,1,0,0,0,0|2,0,0]=4 11987 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [1,1,0,0,0,0|2,0,0]=4 11988 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [1,1,0,0,0,0|2,0,0]=4 11989 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [1,1,0,0,0,0|2,0,0]=4 11990 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [1,1,0,0,0,0|2,0,0]=4 11991 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [1,1,0,0,0,0|2,0,0]=4 11992 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [1,1,0,0,0,0|2,0,0]=4 11993 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [1,1,0,0,0,0|2,0,0]=4 11994 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [1,1,0,0,0,0|2,0,0]=4 11995 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [1,1,0,0,0,0|2,0,0]=4 11996 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [1,1,0,0,0,0|2,0,0]=4 11997 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [1,1,0,0,0,0|2,0,0]=4 11998 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [1,1,0,0,0,0|2,0,0]=4 11999 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [1,1,0,0,0,0|2,0,0]=4 12000 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [1,1,0,0,0,0|2,0,0]=4 12001 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [1,1,0,0,0,0|2,0,0]=4 12002 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [1,1,0,0,0,0|2,0,0]=4 12003 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [1,1,0,0,0,0|2,0,0]=4 12004 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [1,1,0,0,0,0|2,0,0]=4 12005 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [1,1,0,0,0,0|2,0,0]=4 12006 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [1,1,0,0,0,0|2,0,0]=4 12007 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [1,1,0,0,0,0|2,0,0]=4 12008 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [1,1,0,0,0,0|2,0,0]=4 12009 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [1,1,0,0,0,0|2,0,0]=4 12010 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [1,1,0,0,0,0|2,0,0]=4 12011 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [1,1,0,0,0,0|2,0,0]=4 12012 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [1,1,0,0,0,0|2,0,0]=4 12013 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [1,1,0,0,0,0|2,0,0]=4 12014 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [1,1,0,0,0,0|2,0,0]=4 12015 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [1,1,0,0,0,0|2,0,0]=4 12016 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [1,1,0,0,0,0|2,0,0]=4 12017 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [1,1,0,0,0,0|2,0,0]=4 12018 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [1,1,0,0,0,0|2,0,0]=4 12019 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [1,1,0,0,0,0|2,0,0]=4 12020 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [1,1,0,0,0,0|2,0,0]=4 12021 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [1,1,0,0,0,0|2,0,0]=4 12022 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [1,1,0,0,0,0|2,0,0]=4 12023 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [1,1,0,0,0,0|1,0,0]=3 12024 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [1,1,0,0,0,0|1,0,0]=3 12025 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [1,1,0,0,0,0|1,0,0]=3 12026 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [1,1,0,0,0,0|1,0,0]=3 12027 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [1,1,0,0,0,0|2,0,0]=4 12028 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [1,1,0,0,0,0|2,0,0]=4 12029 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [1,1,0,0,0,0|2,0,0]=4 12030 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [1,1,0,0,0,0|2,0,0]=4 12031 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [1,1,0,0,0,0|2,0,0]=4 12032 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [1,1,0,0,0,0|2,0,0]=4 12033 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [1,1,0,0,0,0|2,0,0]=4 12034 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [1,1,0,0,0,0|2,0,0]=4 12035 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [1,1,0,0,0,0|2,0,0]=4 12036 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [1,1,0,0,0,0|2,0,0]=4 12037 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [1,1,0,0,0,0|2,0,0]=4 12038 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [1,1,0,0,0,0|2,0,0]=4 12039 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [1,1,0,0,0,0|2,0,0]=4 12040 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [1,1,0,0,0,0|2,0,0]=4 12041 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [1,1,0,0,0,0|2,0,0]=4 12042 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [1,1,0,0,0,0|2,0,0]=4 12043 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [1,1,0,0,0,0|2,0,0]=4 12044 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [1,1,0,0,0,0|2,0,0]=4 12045 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [1,1,0,0,0,0|2,0,0]=4 12046 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [1,1,0,0,0,0|2,0,0]=4 12047 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [1,1,0,0,0,0|2,0,0]=4 12048 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [1,1,0,0,0,0|2,0,0]=4 12049 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [1,1,0,0,0,0|2,0,0]=4 12050 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [1,1,0,0,0,0|2,0,0]=4 12051 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [1,1,0,0,0,0|2,0,0]=4 12052 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [1,1,0,0,0,0|2,0,0]=4 12053 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [1,1,0,0,0,0|2,0,0]=4 12054 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [1,1,0,0,0,0|2,0,0]=4 12055 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [1,1,0,0,0,0|2,0,0]=4 12056 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [1,1,0,0,0,0|2,0,0]=4 12057 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [1,1,0,0,0,0|2,0,0]=4 12058 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [1,1,0,0,0,0|2,0,0]=4 12059 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [1,1,0,0,0,0|2,0,0]=4 12060 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [1,1,0,0,0,0|2,0,0]=4 12061 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [1,1,0,0,0,0|2,0,0]=4 12062 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [1,1,0,0,0,0|2,0,0]=4 12063 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [1,1,0,0,0,0|2,0,0]=4 12064 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [1,1,0,0,0,0|2,0,0]=4 12065 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [1,1,0,0,0,0|2,0,0]=4 12066 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [1,1,0,0,0,0|2,0,0]=4 12067 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [1,1,0,0,0,0|2,0,0]=4 12068 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [1,1,0,0,0,0|2,0,0]=4 12069 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [1,1,0,0,0,0|2,0,0]=4 12070 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [1,1,0,0,0,0|2,0,0]=4 12071 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [1,1,0,0,0,0|2,0,0]=4 12072 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [1,1,0,0,0,0|2,0,0]=4 12073 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [1,1,0,0,0,0|2,0,0]=4 12074 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [1,1,0,0,0,0|2,0,0]=4 12075 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [1,1,0,0,0,0|2,0,0]=4 12076 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [1,1,0,0,0,0|2,0,0]=4 12077 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [1,1,0,0,0,0|2,0,0]=4 12078 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [1,1,0,0,0,0|2,0,0]=4 12079 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [1,1,0,0,0,0|2,0,0]=4 12080 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [1,1,0,0,0,0|2,0,0]=4 12081 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [1,1,0,0,0,0|2,0,0]=4 12082 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [1,1,0,0,0,0|2,0,0]=4 12083 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [1,1,0,0,0,0|2,0,0]=4 12084 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [1,1,0,0,0,0|2,0,0]=4 12085 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [1,1,0,0,0,0|2,0,0]=4 12086 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [1,1,0,0,0,0|2,0,0]=4 12087 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [1,1,0,0,0,0|2,0,0]=4 12088 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [1,1,0,0,0,0|2,0,0]=4 12089 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [1,1,0,0,0,0|2,0,0]=4 12090 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [1,1,0,0,0,0|2,0,0]=4 12091 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [1,1,0,0,0,0|2,0,0]=4 12092 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [1,1,0,0,0,0|2,0,0]=4 12093 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [1,1,0,0,0,0|2,0,0]=4 12094 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100009996589_100011215043 [1,1,0,0,0,0|2,0,0]=4 12095 B12R1.28 C[n+]1cccc(c1)SCCCO 62a_100011215043_100009996589 [1,1,0,0,0,0|2,0,0]=4 12096 B12R1.28 Cc1cc(ccn1)CNCCO 207a_100000210304_100011361630 [1,1,0,0,0,0|2,0,0]=4 12097 B12R1.28 Cc1cc(ccn1)CNCCO 2230a_100016997473_200020672517 [1,1,0,0,0,0|2,0,0]=4 12098 B12R1.28 Cc1cc(ccn1)CNCCO 270004a_100000210304_100011361630 [1,1,0,0,0,0|2,0,0]=4 12099 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100011934566_100000211926 [1,1,0,0,0,0|2,0,0]=4 12100 B12R1.28 Cc1cc(ccn1)CNCCO 34a_100016990907_200020672517 [1,1,0,0,0,0|2,0,0]=4 12101 B12R1.28 Cc1cc(ccn1)COCCO 34a_100011998630_100000211926 [1,1,0,0,0,0|2,0,0]=4 12102 B12R1.28 Cc1cc(ccn1)CSCCO 62a_100000211926_200020672517 [1,1,0,0,0,0|2,0,0]=4 12103 B12R1.28 Cc1cc(ccn1)CSCCO 62a_200020672517_100000211926 [1,1,0,0,0,0|2,0,0]=4 12104 B12R1.28 Cc1cc(ccn1)NCCCO 27a_100000182051_100000758586 [1,1,0,0,0,0|2,0,0]=4 12105 B12R1.28 Cc1cc(ccn1)OCCCO 34a_100000688365_100000230001 [1,1,0,0,0,0|2,0,0]=4 12106 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100000758586_100011215043 [1,1,0,0,0,0|2,0,0]=4 12107 B12R1.28 Cc1cc(ccn1)SCCCO 62a_100011215043_100000758586 [1,1,0,0,0,0|2,0,0]=4 12108 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [1,1,0,0,0,0|1,0,0]=3 12109 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [1,1,0,0,0,0|1,0,0]=3 12110 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [1,1,0,0,0,0|2,0,0]=4 12111 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [1,1,0,0,0,0|2,0,0]=4 12112 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [1,1,0,0,0,0|2,0,0]=4 12113 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [1,1,0,0,0,0|2,0,0]=4 12114 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [1,1,0,0,0,0|2,0,0]=4 12115 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [1,1,0,0,0,0|2,0,0]=4 12116 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [1,1,0,0,0,0|2,0,0]=4 12117 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [1,1,0,0,0,0|2,0,0]=4 12118 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [1,1,0,0,0,0|1,0,0]=3 12119 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [1,1,0,0,0,0|1,0,0]=3 12120 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [1,1,0,0,0,0|1,0,0]=3 12121 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [1,1,0,0,0,0|1,0,0]=3 12122 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [1,1,0,0,0,0|1,0,0]=3 12123 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [1,1,0,0,0,0|1,0,0]=3 12124 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [1,1,0,0,0,0|2,0,0]=4 12125 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [1,1,0,0,0,0|2,0,0]=4 12126 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [1,1,0,0,0,0|2,0,0]=4 12127 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [1,1,0,0,0,0|2,0,0]=4 12128 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [1,1,0,0,0,0|1,0,0]=3 12129 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [1,1,0,0,0,0|1,0,0]=3 12130 B12R1.28 Cc1cccc(c1)CSCCF 62a_100000211840_100011217306 [1,1,0,0,0,0|2,0,0]=4 12131 B12R1.28 Cc1cccc(c1)CSCCF 62a_100011217306_100000211840 [1,1,0,0,0,0|2,0,0]=4 12132 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [1,1,0,0,0,0|1,0,0]=3 12133 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [1,1,0,0,0,0|1,0,0]=3 12134 B12R1.28 Cc1cccc(c1)NCCCF 2230a_100000188690_100011934791 [1,1,0,0,0,0|2,0,0]=4 12135 B12R1.28 Cc1cccc(c1)NCCCF 34a_100000188690_100011934791 [1,1,0,0,0,0|2,0,0]=4 12136 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [1,1,0,0,0,0|1,0,0]=3 12137 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [1,1,0,0,0,0|1,0,0]=3 12138 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [1,1,0,0,0,0|2,0,0]=4 12139 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [1,1,0,0,0,0|2,0,0]=4 12140 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [1,1,0,0,0,0|1,0,0]=3 12141 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [1,1,0,0,0,0|1,0,0]=3 12142 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [1,1,0,0,0,0|2,0,0]=4 12143 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [1,1,0,0,0,0|2,0,0]=4 12144 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [1,1,0,0,0,0|2,0,0]=4 12145 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [1,1,0,0,0,0|2,0,0]=4 12146 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011215228_100011934791 [1,1,0,0,0,0|2,0,0]=4 12147 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011934791_100011215228 [1,1,0,0,0,0|2,0,0]=4 12148 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [1,1,0,0,0,0|1,0,0]=3 12149 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [1,1,0,0,0,0|1,0,0]=3 12150 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [1,1,0,0,0,0|2,0,0]=4 12151 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [1,1,0,0,0,0|2,0,0]=4 12152 B12R1.28 Cc1cccc(n1)CCCO[13CH3] 34a_100000211354_200025704644 [1,1,0,0,0,0|2,0,0]=4 12153 B12R1.28 Cc1cccc(n1)CNCCO 207a_100000210304_100011215050 [1,1,0,0,0,0|2,0,0]=4 12154 B12R1.28 Cc1cccc(n1)CNCCO 2230a_100016997473_100000757606 [1,1,0,0,0,0|2,0,0]=4 12155 B12R1.28 Cc1cccc(n1)CNCCO 270004a_100000210304_100011215050 [1,1,0,0,0,0|2,0,0]=4 12156 B12R1.28 Cc1cccc(n1)CNCCO 34a_100000701342_100000211926 [1,1,0,0,0,0|2,0,0]=4 12157 B12R1.28 Cc1cccc(n1)CNCCO 34a_100016990907_100000757606 [1,1,0,0,0,0|2,0,0]=4 12158 B12R1.28 Cc1cccc(n1)COCCO 34a_100000690600_100000211926 [1,1,0,0,0,0|2,0,0]=4 12159 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000211926_100000757606 [1,1,0,0,0,0|2,0,0]=4 12160 B12R1.28 Cc1cccc(n1)CSCCO 62a_100000757606_100000211926 [1,1,0,0,0,0|2,0,0]=4 12161 B12R1.28 Cc1cccc(n1)SCCCO 62a_100000742759_100011215043 [1,1,0,0,0,0|2,0,0]=4 12162 B12R1.28 Cc1cccc(n1)SCCCO 62a_100011215043_100000742759 [1,1,0,0,0,0|2,0,0]=4 12163 B12R1.28 Cc1ccnc(c1)CNCCO 207a_100000210304_100011361488 [1,1,0,0,0,0|2,0,0]=4 12164 B12R1.28 Cc1ccnc(c1)CNCCO 2230a_100016997473_100000718516 [1,1,0,0,0,0|2,0,0]=4 12165 B12R1.28 Cc1ccnc(c1)CNCCO 270004a_100000210304_100011361488 [1,1,0,0,0,0|2,0,0]=4 12166 B12R1.28 Cc1ccnc(c1)CNCCO 34a_100016990907_100000718516 [1,1,0,0,0,0|2,0,0]=4 12167 B12R1.28 Cc1ccnc(c1)COCCO 34a_100011998357_100000211926 [1,1,0,0,0,0|2,0,0]=4 12168 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000211926_100000718516 [1,1,0,0,0,0|2,0,0]=4 12169 B12R1.28 Cc1ccnc(c1)CSCCO 62a_100000718516_100000211926 [1,1,0,0,0,0|2,0,0]=4 12170 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100000750283_100011215043 [1,1,0,0,0,0|2,0,0]=4 12171 B12R1.28 Cc1ccnc(c1)SCCCO 62a_100011215043_100000750283 [1,1,0,0,0,0|2,0,0]=4 12172 B12R1.28 Cc1cncc(c1)CNCCO 207a_100000210304_100011998712 [1,1,0,0,0,0|2,0,0]=4 12173 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100000692839_100000211926 [1,1,0,0,0,0|2,0,0]=4 12174 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100016997473_100000716715 [1,1,0,0,0,0|2,0,0]=4 12175 B12R1.28 Cc1cncc(c1)CNCCO 270004a_100000210304_100011998712 [1,1,0,0,0,0|2,0,0]=4 12176 B12R1.28 Cc1cncc(c1)CNCCO 34a_100000692839_100000211926 [1,1,0,0,0,0|2,0,0]=4 12177 B12R1.28 Cc1cncc(c1)CNCCO 34a_100016990907_100000716715 [1,1,0,0,0,0|2,0,0]=4 12178 B12R1.28 Cc1cncc(c1)COCCO 34a_100011998709_100000211926 [1,1,0,0,0,0|2,0,0]=4 12179 B12R1.28 Cc1cncc(c1)COCCO 7a_100011998709_100000211926 [1,1,0,0,0,0|2,0,0]=4 12180 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000211926_100000716715 [1,1,0,0,0,0|2,0,0]=4 12181 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000716715_100000211926 [1,1,0,0,0,0|2,0,0]=4 12182 B12R1.28 Cc1cncc(c1)OCCCO 34a_100011830280_100000230001 [1,1,0,0,0,0|2,0,0]=4 12183 B12R1.28 Cc1cncc(c1)OCCCO 7a_100011830280_100011215043 [1,1,0,0,0,0|2,0,0]=4 12184 B12R1.28 Cc1cncc(c1)SCCCO 62a_100000760492_100011215043 [1,1,0,0,0,0|2,0,0]=4 12185 B12R1.28 Cc1cncc(c1)SCCCO 62a_100011215043_100000760492 [1,1,0,0,0,0|2,0,0]=4 12186 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [1,1,0,0,0,0|2,0,0]=4 12187 B12R1.28 FCCCNc1cccc(c1)Br 34a_100000210019_100011934791 [1,1,0,0,0,0|2,0,0]=4 12188 B12R1.28 FCCCNc1cccc(c1)Cl 34a_100000185859_100011934791 [1,1,0,0,0,0|2,0,0]=4 12189 B12R1.28 FCCCNc1cccc(c1)F 34a_100000210047_100011934791 [1,1,0,0,0,0|2,0,0]=4 12190 B12R1.28 FCCCNc1cccc(c1)I 34a_100000211102_100011934791 [1,1,0,0,0,0|2,0,0]=4 12191 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [1,1,0,0,0,0|2,0,0]=4 12192 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [1,1,0,0,0,0|2,0,0]=4 12193 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [1,1,0,0,0,0|2,0,0]=4 12194 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [1,1,0,0,0,0|2,0,0]=4 12195 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [1,1,0,0,0,0|2,0,0]=4 12196 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [1,1,0,0,0,0|2,0,0]=4 12197 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [1,1,0,0,0,0|2,0,0]=4 12198 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [1,1,0,0,0,0|2,0,0]=4 12199 B12R1.28 FCCCSc1cccc(c1)Br 62a_100000691529_100011934791 [1,1,0,0,0,0|2,0,0]=4 12200 B12R1.28 FCCCSc1cccc(c1)Br 62a_100011934791_100000691529 [1,1,0,0,0,0|2,0,0]=4 12201 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100000699651_100011934791 [1,1,0,0,0,0|2,0,0]=4 12202 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100011934791_100000699651 [1,1,0,0,0,0|2,0,0]=4 12203 B12R1.28 FCCCSc1cccc(c1)F 62a_100000685547_100011934791 [1,1,0,0,0,0|2,0,0]=4 12204 B12R1.28 FCCCSc1cccc(c1)F 62a_100011934791_100000685547 [1,1,0,0,0,0|2,0,0]=4 12205 B12R1.28 FCCCSc1cccc(c1)[S] 62a_100011934791_114929384022 [1,1,0,0,0,0|2,0,0]=4 12206 B12R1.28 FCCCSc1cccc(c1)[S] 62a_114929384022_100011934791 [1,1,0,0,0,0|2,0,0]=4 12207 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [1,1,0,0,0,0|2,0,0]=4 12208 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [1,1,0,0,0,0|2,0,0]=4 12209 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [1,1,0,0,0,0|2,0,0]=4 12210 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [1,1,0,0,0,0|2,0,0]=4 12211 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [1,1,0,0,0,0|2,0,0]=4 12212 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [1,1,0,0,0,0|2,0,0]=4 12213 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [1,1,0,0,0,0|2,0,0]=4 12214 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [1,1,0,0,0,0|2,0,0]=4 12215 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [1,1,0,0,0,0|2,0,0]=4 12216 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [1,1,0,0,0,0|2,0,0]=4 12217 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [1,1,0,0,0,0|2,0,0]=4 12218 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [1,1,0,0,0,0|2,0,0]=4 12219 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [1,1,0,0,0,0|2,0,0]=4 12220 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [1,1,0,0,0,0|2,0,0]=4 12221 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [1,1,0,0,0,0|2,0,0]=4 12222 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [1,1,0,0,0,0|2,0,0]=4 12223 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [1,1,0,0,0,0|2,0,0]=4 12224 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [1,1,0,0,0,0|2,0,0]=4 12225 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [1,1,0,0,0,0|2,0,0]=4 12226 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [1,1,0,0,0,0|2,0,0]=4 12227 B12R1.28 FCCSCc1cccc(c1)Br 62a_100000211773_100011217306 [1,1,0,0,0,0|2,0,0]=4 12228 B12R1.28 FCCSCc1cccc(c1)Br 62a_100011217306_100000211773 [1,1,0,0,0,0|2,0,0]=4 12229 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100000187163_100011217306 [1,1,0,0,0,0|2,0,0]=4 12230 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100011217306_100000187163 [1,1,0,0,0,0|2,0,0]=4 12231 B12R1.28 FCCSCc1cccc(c1)F 62a_100000230114_100011217306 [1,1,0,0,0,0|2,0,0]=4 12232 B12R1.28 FCCSCc1cccc(c1)F 62a_100011217306_100000230114 [1,1,0,0,0,0|2,0,0]=4 12233 B12R1.28 FCCSCc1cccc(c1)I 62a_100011217306_100011218688 [1,1,0,0,0,0|2,0,0]=4 12234 B12R1.28 FCCSCc1cccc(c1)I 62a_100011218688_100011217306 [1,1,0,0,0,0|2,0,0]=4 12235 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [1,1,0,0,0,0|2,0,0]=4 12236 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [1,1,0,0,0,0|2,0,0]=4 12237 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [1,1,0,0,0,0|2,0,0]=4 12238 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [1,1,0,0,0,0|2,0,0]=4 12239 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [1,1,0,0,0,0|2,0,0]=4 12240 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [1,1,0,0,0,0|2,0,0]=4 12241 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [1,1,0,0,0,0|2,0,0]=4 12242 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [1,1,0,0,0,0|2,0,0]=4 12243 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [1,1,0,0,0,0|2,0,0]=4 12244 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [1,1,0,0,0,0|2,0,0]=4 12245 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [1,1,0,0,0,0|2,0,0]=4 12246 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [1,1,0,0,0,0|2,0,0]=4 12247 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [1,1,0,0,0,0|2,0,0]=4 12248 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [1,1,0,0,0,0|2,0,0]=4 12249 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [1,1,0,0,0,0|2,0,0]=4 12250 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [1,1,0,0,0,0|2,0,0]=4 12251 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [1,1,0,0,0,0|2,0,0]=4 12252 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [1,1,0,0,0,0|2,0,0]=4 12253 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [1,1,0,0,0,0|2,0,0]=4 12254 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [1,1,0,0,0,0|2,0,0]=4 12255 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [1,1,0,0,0,0|2,0,0]=4 12256 B12R1.28 Nc1cc(ccn1)OCCCO 34a_100011834064_100000230001 [1,1,0,0,0,0|2,0,0]=4 12257 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100000049665_100011215043 [1,1,0,0,0,0|2,0,0]=4 12258 B12R1.28 Nc1cc(ccn1)SCCCO 62a_100011215043_100000049665 [1,1,0,0,0,0|2,0,0]=4 12259 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [1,1,0,0,0,0|2,0,0]=4 12260 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [1,1,0,0,0,0|2,0,0]=4 12261 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [1,1,0,0,0,0|1,0,0]=3 12262 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [1,1,0,0,0,0|2,0,0]=4 12263 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [1,1,0,0,0,0|1,0,0]=3 12264 B12R1.28 Nc1cccc(c1)SCCCF 62a_100000210019_100011934791 [1,1,0,0,0,0|2,0,0]=4 12265 B12R1.28 Nc1cccc(c1)SCCCF 62a_100011934791_100000210019 [1,1,0,0,0,0|2,0,0]=4 12266 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [1,1,0,0,0,0|1,0,0]=3 12267 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [1,1,0,0,0,0|1,0,0]=3 12268 B12R1.28 Nc1cccc(n1)SCCCO 62a_100000740741_100011215043 [1,1,0,0,0,0|2,0,0]=4 12269 B12R1.28 Nc1cccc(n1)SCCCO 62a_100011215043_100000740741 [1,1,0,0,0,0|2,0,0]=4 12270 B12R1.28 Nc1ccnc(c1)COCCO 34a_100000692640_100000211926 [1,1,0,0,0,0|2,0,0]=4 12271 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100009814236_100011215043 [1,1,0,0,0,0|2,0,0]=4 12272 B12R1.28 Nc1ccnc(c1)SCCCO 62a_100011215043_100009814236 [1,1,0,0,0,0|2,0,0]=4 12273 B12R1.28 Nc1cncc(c1)COCCO 34a_100000085308_100000211926 [1,1,0,0,0,0|2,0,0]=4 12274 B12R1.28 Nc1cncc(c1)OCCCO 34a_100011997051_100000230001 [1,1,0,0,0,0|2,0,0]=4 12275 B12R1.28 Nc1cncc(c1)SCCCO 62a_100000687067_100011215043 [1,1,0,0,0,0|2,0,0]=4 12276 B12R1.28 Nc1cncc(c1)SCCCO 62a_100011215043_100000687067 [1,1,0,0,0,0|2,0,0]=4 12277 B12R1.28 O=c1cc(cc[nH]1)NCCCO 27a_100000182051_100000061649 [1,1,0,0,0,0|2,0,0]=4 12278 B12R1.28 O=c1cc(cc[nH]1)OCCCO 34a_100000032262_100000230001 [1,1,0,0,0,0|2,0,0]=4 12279 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100009816521_100011215043 [1,1,0,0,0,0|2,0,0]=4 12280 B12R1.28 O=c1cc(cc[nH]1)SCCCO 62a_100011215043_100009816521 [1,1,0,0,0,0|2,0,0]=4 12281 B12R1.28 O=c1cc[nH]c(c1)SCCCO 62a_100009817434_100011215043 [1,1,0,0,0,0|2,0,0]=4 12282 B12R1.28 O=c1cccc([nH]1)CNCCO 207a_100000210304_100011935257 [1,1,0,0,0,0|2,0,0]=4 12283 B12R1.28 O=c1cccc([nH]1)CNCCO 2230a_100000696482_100000211926 [1,1,0,0,0,0|2,0,0]=4 12284 B12R1.28 O=c1cccc([nH]1)OCCCO 34a_100000033347_100000230001 [1,1,0,0,0,0|2,0,0]=4 12285 B12R1.28 O=c1cccc([nH]1)SCCCO 62a_100011215043_100000752884 [1,1,0,0,0,0|2,0,0]=4 12286 B12R1.28 OCCCNc1cc(ccn1)F 27a_100000182051_100000764206 [1,1,0,0,0,0|2,0,0]=4 12287 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [1,1,0,0,0,0|1,0,0]=3 12288 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [1,1,0,0,0,0|1,0,0]=3 12289 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [1,1,0,0,0,0|1,0,0]=3 12290 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [1,1,0,0,0,0|1,0,0]=3 12291 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [1,1,0,0,0,0|1,0,0]=3 12292 B12R1.28 OCCCNc1cccc(n1)F 27a_100000182051_100009815982 [1,1,0,0,0,0|2,0,0]=4 12293 B12R1.28 OCCCNc1ccnc(c1)F 27a_100000182051_100009816116 [1,1,0,0,0,0|2,0,0]=4 12294 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [1,1,0,0,0,0|1,0,0]=3 12295 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [1,1,0,0,0,0|1,0,0]=3 12296 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [1,1,0,0,0,0|1,0,0]=3 12297 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [1,1,0,0,0,0|1,0,0]=3 12298 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [1,1,0,0,0,0|1,0,0]=3 12299 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [1,1,0,0,0,0|1,0,0]=3 12300 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [1,1,0,0,0,0|1,0,0]=3 12301 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [1,1,0,0,0,0|1,0,0]=3 12302 B12R1.28 OCCCOc1cccc(n1)F 34a_100011432558_100000230001 [1,1,0,0,0,0|2,0,0]=4 12303 B12R1.28 OCCCOc1ccnc(c1)Cl 34a_100000762945_100000230001 [1,1,0,0,0,0|2,0,0]=4 12304 B12R1.28 OCCCOc1ccnc(c1)F 34a_100000732698_100000230001 [1,1,0,0,0,0|2,0,0]=4 12305 B12R1.28 OCCCOc1cncc(c1)Br 34a_100000754920_100000230001 [1,1,0,0,0,0|2,0,0]=4 12306 B12R1.28 OCCCOc1cncc(c1)Br 7a_100000754920_100011215043 [1,1,0,0,0,0|2,0,0]=4 12307 B12R1.28 OCCCOc1cncc(c1)Cl 7a_100000032511_100011215043 [1,1,0,0,0,0|2,0,0]=4 12308 B12R1.28 OCCCOc1cncc(c1)F 34a_100011830296_100000230001 [1,1,0,0,0,0|2,0,0]=4 12309 B12R1.28 OCCCOc1cncc(c1)F 7a_100011830296_100011215043 [1,1,0,0,0,0|2,0,0]=4 12310 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100010167805_100011215043 [1,1,0,0,0,0|2,0,0]=4 12311 B12R1.28 OCCCSc1cc(ccn1)Cl 62a_100011215043_100010167805 [1,1,0,0,0,0|2,0,0]=4 12312 B12R1.28 OCCCSc1cc(ccn1)F 62a_100000764206_100011215043 [1,1,0,0,0,0|2,0,0]=4 12313 B12R1.28 OCCCSc1cc(ccn1)F 62a_100011215043_100000764206 [1,1,0,0,0,0|2,0,0]=4 12314 B12R1.28 OCCCSc1cc(ccn1)O 62a_100011215043_100000762945 [1,1,0,0,0,0|2,0,0]=4 12315 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [1,1,0,0,0,0|1,0,0]=3 12316 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [1,1,0,0,0,0|1,0,0]=3 12317 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [1,1,0,0,0,0|1,0,0]=3 12318 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [1,1,0,0,0,0|1,0,0]=3 12319 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [1,1,0,0,0,0|1,0,0]=3 12320 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [1,1,0,0,0,0|1,0,0]=3 12321 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [1,1,0,0,0,0|1,0,0]=3 12322 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [1,1,0,0,0,0|1,0,0]=3 12323 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [1,1,0,0,0,0|1,0,0]=3 12324 B12R1.28 OCCCSc1cccc(n1)Br 62a_100000684672_100011215043 [1,1,0,0,0,0|2,0,0]=4 12325 B12R1.28 OCCCSc1cccc(n1)Br 62a_100011215043_100000684672 [1,1,0,0,0,0|2,0,0]=4 12326 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100000051397_100011215043 [1,1,0,0,0,0|2,0,0]=4 12327 B12R1.28 OCCCSc1cccc(n1)Cl 62a_100011215043_100000051397 [1,1,0,0,0,0|2,0,0]=4 12328 B12R1.28 OCCCSc1cccc(n1)F 62a_100009815982_100011215043 [1,1,0,0,0,0|2,0,0]=4 12329 B12R1.28 OCCCSc1cccc(n1)F 62a_100011215043_100009815982 [1,1,0,0,0,0|2,0,0]=4 12330 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100009814637_100011215043 [1,1,0,0,0,0|2,0,0]=4 12331 B12R1.28 OCCCSc1ccnc(c1)Br 62a_100011215043_100009814637 [1,1,0,0,0,0|2,0,0]=4 12332 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100000035001_100011215043 [1,1,0,0,0,0|2,0,0]=4 12333 B12R1.28 OCCCSc1ccnc(c1)Cl 62a_100011215043_100000035001 [1,1,0,0,0,0|2,0,0]=4 12334 B12R1.28 OCCCSc1ccnc(c1)F 62a_100009816116_100011215043 [1,1,0,0,0,0|2,0,0]=4 12335 B12R1.28 OCCCSc1ccnc(c1)F 62a_100011215043_100009816116 [1,1,0,0,0,0|2,0,0]=4 12336 B12R1.28 OCCCSc1cncc(c1)Br 62a_100000728054_100011215043 [1,1,0,0,0,0|2,0,0]=4 12337 B12R1.28 OCCCSc1cncc(c1)Br 62a_100011215043_100000728054 [1,1,0,0,0,0|2,0,0]=4 12338 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100000049639_100011215043 [1,1,0,0,0,0|2,0,0]=4 12339 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100011215043_100000049639 [1,1,0,0,0,0|2,0,0]=4 12340 B12R1.28 OCCCSc1cncc(c1)F 62a_100000744099_100011215043 [1,1,0,0,0,0|2,0,0]=4 12341 B12R1.28 OCCCSc1cncc(c1)F 62a_100011215043_100000744099 [1,1,0,0,0,0|2,0,0]=4 12342 B12R1.28 OCCCSc1cncc(c1)O 62a_100000754920_100011215043 [1,1,0,0,0,0|2,0,0]=4 12343 B12R1.28 OCCCSc1cncc(c1)O 62a_100011215043_100000754920 [1,1,0,0,0,0|2,0,0]=4 12344 B12R1.28 OCCNCc1cc(ccn1)Br 2230a_100016997473_100010173614 [1,1,0,0,0,0|2,0,0]=4 12345 B12R1.28 OCCNCc1cc(ccn1)Br 270004a_100000210304_100009818557 [1,1,0,0,0,0|2,0,0]=4 12346 B12R1.28 OCCNCc1cc(ccn1)Br 34a_100016990907_100010173614 [1,1,0,0,0,0|2,0,0]=4 12347 B12R1.28 OCCNCc1cc(ccn1)Cl 2230a_100016997473_100016988179 [1,1,0,0,0,0|2,0,0]=4 12348 B12R1.28 OCCNCc1cc(ccn1)Cl 270004a_100000210304_100011998288 [1,1,0,0,0,0|2,0,0]=4 12349 B12R1.28 OCCNCc1cc(ccn1)Cl 34a_100016990907_100016988179 [1,1,0,0,0,0|2,0,0]=4 12350 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [1,1,0,0,0,0|1,0,0]=3 12351 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [1,1,0,0,0,0|1,0,0]=3 12352 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [1,1,0,0,0,0|1,0,0]=3 12353 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [1,1,0,0,0,0|1,0,0]=3 12354 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [1,1,0,0,0,0|1,0,0]=3 12355 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [1,1,0,0,0,0|1,0,0]=3 12356 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [1,1,0,0,0,0|1,0,0]=3 12357 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [1,1,0,0,0,0|1,0,0]=3 12358 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [1,1,0,0,0,0|1,0,0]=3 12359 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [1,1,0,0,0,0|1,0,0]=3 12360 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [1,1,0,0,0,0|1,0,0]=3 12361 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [1,1,0,0,0,0|1,0,0]=3 12362 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [1,1,0,0,0,0|1,0,0]=3 12363 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [1,1,0,0,0,0|1,0,0]=3 12364 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [1,1,0,0,0,0|1,0,0]=3 12365 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [1,1,0,0,0,0|1,0,0]=3 12366 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [1,1,0,0,0,0|1,0,0]=3 12367 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [1,1,0,0,0,0|1,0,0]=3 12368 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [1,1,0,0,0,0|1,0,0]=3 12369 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [1,1,0,0,0,0|1,0,0]=3 12370 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [1,1,0,0,0,0|1,0,0]=3 12371 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [1,1,0,0,0,0|1,0,0]=3 12372 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [1,1,0,0,0,0|1,0,0]=3 12373 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [1,1,0,0,0,0|1,0,0]=3 12374 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [1,1,0,0,0,0|1,0,0]=3 12375 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [1,1,0,0,0,0|1,0,0]=3 12376 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [1,1,0,0,0,0|1,0,0]=3 12377 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [1,1,0,0,0,0|1,0,0]=3 12378 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [1,1,0,0,0,0|1,0,0]=3 12379 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [1,1,0,0,0,0|1,0,0]=3 12380 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016987751_100000211926 [1,1,0,0,0,0|2,0,0]=4 12381 B12R1.28 OCCNCc1cccc(n1)Br 2230a_100016997473_100009889011 [1,1,0,0,0,0|2,0,0]=4 12382 B12R1.28 OCCNCc1cccc(n1)Br 270004a_100000210304_100000688028 [1,1,0,0,0,0|2,0,0]=4 12383 B12R1.28 OCCNCc1cccc(n1)Br 34a_100016990907_100009889011 [1,1,0,0,0,0|2,0,0]=4 12384 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016990191_100000211926 [1,1,0,0,0,0|2,0,0]=4 12385 B12R1.28 OCCNCc1cccc(n1)Cl 2230a_100016997473_100000086093 [1,1,0,0,0,0|2,0,0]=4 12386 B12R1.28 OCCNCc1cccc(n1)Cl 270004a_100000210304_100011361687 [1,1,0,0,0,0|2,0,0]=4 12387 B12R1.28 OCCNCc1cccc(n1)Cl 34a_100016990907_100000086093 [1,1,0,0,0,0|2,0,0]=4 12388 B12R1.28 OCCNCc1cccc(n1)F 2230a_100015188798_100000211926 [1,1,0,0,0,0|2,0,0]=4 12389 B12R1.28 OCCNCc1cccc(n1)F 2230a_100016997473_100009819644 [1,1,0,0,0,0|2,0,0]=4 12390 B12R1.28 OCCNCc1cccc(n1)F 270004a_100000210304_100000050434 [1,1,0,0,0,0|2,0,0]=4 12391 B12R1.28 OCCNCc1cccc(n1)F 34a_100015188798_100000211926 [1,1,0,0,0,0|2,0,0]=4 12392 B12R1.28 OCCNCc1cccc(n1)F 34a_100016990907_100009819644 [1,1,0,0,0,0|2,0,0]=4 12393 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100016997473_100010243470 [1,1,0,0,0,0|2,0,0]=4 12394 B12R1.28 OCCNCc1ccnc(c1)Br 2230a_100025757509_100000211926 [1,1,0,0,0,0|2,0,0]=4 12395 B12R1.28 OCCNCc1ccnc(c1)Br 270004a_100000210304_100009814634 [1,1,0,0,0,0|2,0,0]=4 12396 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100016990907_100010243470 [1,1,0,0,0,0|2,0,0]=4 12397 B12R1.28 OCCNCc1ccnc(c1)Br 34a_100025757509_100000211926 [1,1,0,0,0,0|2,0,0]=4 12398 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100015205668_100000211926 [1,1,0,0,0,0|2,0,0]=4 12399 B12R1.28 OCCNCc1ccnc(c1)Cl 2230a_100016997473_100000764220 [1,1,0,0,0,0|2,0,0]=4 12400 B12R1.28 OCCNCc1ccnc(c1)Cl 270004a_100000210304_100011290808 [1,1,0,0,0,0|2,0,0]=4 12401 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100015205668_100000211926 [1,1,0,0,0,0|2,0,0]=4 12402 B12R1.28 OCCNCc1ccnc(c1)Cl 34a_100016990907_100000764220 [1,1,0,0,0,0|2,0,0]=4 12403 B12R1.28 OCCNCc1ccnc(c1)F 2230a_100015188774_100000211926 [1,1,0,0,0,0|2,0,0]=4 12404 B12R1.28 OCCNCc1ccnc(c1)F 270004a_100000210304_100000068331 [1,1,0,0,0,0|2,0,0]=4 12405 B12R1.28 OCCNCc1ccnc(c1)F 34a_100015188774_100000211926 [1,1,0,0,0,0|2,0,0]=4 12406 B12R1.28 OCCNCc1ccnc(c1)O 207a_100000210304_100000688113 [1,1,0,0,0,0|2,0,0]=4 12407 B12R1.28 OCCNCc1cncc(c1)Br 207a_100000210304_100000687066 [1,1,0,0,0,0|2,0,0]=4 12408 B12R1.28 OCCNCc1cncc(c1)Br 2230a_100016997473_100000738771 [1,1,0,0,0,0|2,0,0]=4 12409 B12R1.28 OCCNCc1cncc(c1)Br 270004a_100000210304_100000687066 [1,1,0,0,0,0|2,0,0]=4 12410 B12R1.28 OCCNCc1cncc(c1)Br 34a_100016990907_100000738771 [1,1,0,0,0,0|2,0,0]=4 12411 B12R1.28 OCCNCc1cncc(c1)Cl 207a_100000210304_100000088910 [1,1,0,0,0,0|2,0,0]=4 12412 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_100016997473_100016992070 [1,1,0,0,0,0|2,0,0]=4 12413 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_200020614424_100000211926 [1,1,0,0,0,0|2,0,0]=4 12414 B12R1.28 OCCNCc1cncc(c1)Cl 270004a_100000210304_100000088910 [1,1,0,0,0,0|2,0,0]=4 12415 B12R1.28 OCCNCc1cncc(c1)Cl 34a_100016990907_100016992070 [1,1,0,0,0,0|2,0,0]=4 12416 B12R1.28 OCCNCc1cncc(c1)F 207a_100000210304_100011361476 [1,1,0,0,0,0|2,0,0]=4 12417 B12R1.28 OCCNCc1cncc(c1)F 2230a_100011962886_100000211926 [1,1,0,0,0,0|2,0,0]=4 12418 B12R1.28 OCCNCc1cncc(c1)F 2230a_100016997473_100000725299 [1,1,0,0,0,0|2,0,0]=4 12419 B12R1.28 OCCNCc1cncc(c1)F 270004a_100000210304_100011361476 [1,1,0,0,0,0|2,0,0]=4 12420 B12R1.28 OCCNCc1cncc(c1)F 34a_100011962886_100000211926 [1,1,0,0,0,0|2,0,0]=4 12421 B12R1.28 OCCNCc1cncc(c1)F 34a_100016990907_100000725299 [1,1,0,0,0,0|2,0,0]=4 12422 B12R1.28 OCCNCc1cncc(c1)O 207a_100000210304_100012187055 [1,1,0,0,0,0|2,0,0]=4 12423 B12R1.28 OCCNCc1cncc(c1)O 270004a_100000210304_100012187055 [1,1,0,0,0,0|2,0,0]=4 12424 B12R1.28 OCCOCc1cc(ccn1)Cl 34a_100000748867_100000211926 [1,1,0,0,0,0|2,0,0]=4 12425 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [1,1,0,0,0,0|1,0,0]=3 12426 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [1,1,0,0,0,0|1,0,0]=3 12427 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [1,1,0,0,0,0|1,0,0]=3 12428 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [1,1,0,0,0,0|1,0,0]=3 12429 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [1,1,0,0,0,0|1,0,0]=3 12430 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [1,1,0,0,0,0|1,0,0]=3 12431 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [1,1,0,0,0,0|1,0,0]=3 12432 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [1,1,0,0,0,0|1,0,0]=3 12433 B12R1.28 OCCOCc1cccc(n1)Br 34a_100000694195_100000211926 [1,1,0,0,0,0|2,0,0]=4 12434 B12R1.28 OCCOCc1cccc(n1)Cl 34a_100011998359_100000211926 [1,1,0,0,0,0|2,0,0]=4 12435 B12R1.28 OCCOCc1cccc(n1)F 34a_100000086748_100000211926 [1,1,0,0,0,0|2,0,0]=4 12436 B12R1.28 OCCOCc1ccnc(c1)Br 34a_100009814636_100000211926 [1,1,0,0,0,0|2,0,0]=4 12437 B12R1.28 OCCOCc1ccnc(c1)Br 7a_100009814636_100000211926 [1,1,0,0,0,0|2,0,0]=4 12438 B12R1.28 OCCOCc1ccnc(c1)Cl 34a_100000748751_100000211926 [1,1,0,0,0,0|2,0,0]=4 12439 B12R1.28 OCCOCc1ccnc(c1)F 34a_100000082451_100000211926 [1,1,0,0,0,0|2,0,0]=4 12440 B12R1.28 OCCOCc1cncc(c1)Br 34a_100011259137_100000211926 [1,1,0,0,0,0|2,0,0]=4 12441 B12R1.28 OCCOCc1cncc(c1)Br 7a_100011259137_100000211926 [1,1,0,0,0,0|2,0,0]=4 12442 B12R1.28 OCCOCc1cncc(c1)Cl 34a_100000092867_100000211926 [1,1,0,0,0,0|2,0,0]=4 12443 B12R1.28 OCCOCc1cncc(c1)Cl 7a_100000092867_100000211926 [1,1,0,0,0,0|2,0,0]=4 12444 B12R1.28 OCCOCc1cncc(c1)F 34a_100011962875_100000211926 [1,1,0,0,0,0|2,0,0]=4 12445 B12R1.28 OCCOCc1cncc(c1)F 7a_100011962875_100000211926 [1,1,0,0,0,0|2,0,0]=4 12446 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100000211926_100010173614 [1,1,0,0,0,0|2,0,0]=4 12447 B12R1.28 OCCSCc1cc(ccn1)Br 62a_100010173614_100000211926 [1,1,0,0,0,0|2,0,0]=4 12448 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100000211926_100016988179 [1,1,0,0,0,0|2,0,0]=4 12449 B12R1.28 OCCSCc1cc(ccn1)Cl 62a_100016988179_100000211926 [1,1,0,0,0,0|2,0,0]=4 12450 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [1,1,0,0,0,0|1,0,0]=3 12451 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [1,1,0,0,0,0|1,0,0]=3 12452 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [1,1,0,0,0,0|1,0,0]=3 12453 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [1,1,0,0,0,0|1,0,0]=3 12454 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [1,1,0,0,0,0|1,0,0]=3 12455 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [1,1,0,0,0,0|1,0,0]=3 12456 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [1,1,0,0,0,0|1,0,0]=3 12457 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [1,1,0,0,0,0|1,0,0]=3 12458 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [1,1,0,0,0,0|1,0,0]=3 12459 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [1,1,0,0,0,0|1,0,0]=3 12460 B12R1.28 OCCSCc1cccc(n1)Br 62a_100000211926_100009889011 [1,1,0,0,0,0|2,0,0]=4 12461 B12R1.28 OCCSCc1cccc(n1)Br 62a_100009889011_100000211926 [1,1,0,0,0,0|2,0,0]=4 12462 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000086093_100000211926 [1,1,0,0,0,0|2,0,0]=4 12463 B12R1.28 OCCSCc1cccc(n1)Cl 62a_100000211926_100000086093 [1,1,0,0,0,0|2,0,0]=4 12464 B12R1.28 OCCSCc1cccc(n1)F 62a_100000211926_100009819644 [1,1,0,0,0,0|2,0,0]=4 12465 B12R1.28 OCCSCc1cccc(n1)F 62a_100009819644_100000211926 [1,1,0,0,0,0|2,0,0]=4 12466 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100000211926_100010243470 [1,1,0,0,0,0|2,0,0]=4 12467 B12R1.28 OCCSCc1ccnc(c1)Br 62a_100010254460_100000211926 [1,1,0,0,0,0|2,0,0]=4 12468 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000211926_100000764220 [1,1,0,0,0,0|2,0,0]=4 12469 B12R1.28 OCCSCc1ccnc(c1)Cl 62a_100000764220_100000211926 [1,1,0,0,0,0|2,0,0]=4 12470 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000211926_100000738771 [1,1,0,0,0,0|2,0,0]=4 12471 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000738771_100000211926 [1,1,0,0,0,0|2,0,0]=4 12472 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100000211926_100016992070 [1,1,0,0,0,0|2,0,0]=4 12473 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100016992070_100000211926 [1,1,0,0,0,0|2,0,0]=4 12474 B12R1.28 OCCSCc1cncc(c1)F 62a_100000211926_100000725299 [1,1,0,0,0,0|2,0,0]=4 12475 B12R1.28 OCCSCc1cncc(c1)F 62a_100000725299_100000211926 [1,1,0,0,0,0|2,0,0]=4 12476 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [1,1,0,0,0,0|2,0,0]=4 12477 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [1,1,0,0,0,0|2,0,0]=4 12478 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [1,1,0,0,0,0|2,0,0]=4 12479 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [1,1,0,0,0,0|2,0,0]=4 12480 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [1,1,0,0,0,0|2,0,0]=4 12481 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [1,1,0,0,0,0|2,0,0]=4 12482 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [1,1,0,0,0,0|2,0,0]=4 12483 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [1,1,0,0,0,0|2,0,0]=4 12484 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [1,1,0,0,0,0|2,0,0]=4 12485 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [1,1,0,0,0,0|1,0,0]=3 12486 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [1,1,0,0,0,0|1,0,0]=3 12487 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [1,1,0,0,0,0|1,0,0]=3 12488 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [1,1,0,0,0,0|1,0,0]=3 12489 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [1,1,0,0,0,0|1,0,0]=3 12490 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [1,1,0,0,0,0|1,0,0]=3 12491 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [1,1,0,0,0,0|2,0,0]=4 12492 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [1,1,0,0,0,0|2,0,0]=4 12493 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [1,1,0,0,0,0|2,0,0]=4 12494 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [1,1,0,0,0,0|2,0,0]=4 12495 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [1,1,0,0,0,0|2,0,0]=4 12496 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [1,1,0,0,0,0|2,0,0]=4 12497 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [1,1,0,0,0,0|1,0,0]=3 12498 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [1,1,0,0,0,0|1,0,0]=3 12499 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [1,1,0,0,0,0|1,0,0]=3 12500 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [1,1,0,0,0,0|1,0,0]=3 12501 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [1,1,0,0,0,0|1,0,0]=3 12502 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [1,1,0,0,0,0|1,0,0]=3 12503 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 12504 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 12505 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [1,1,0,0,0,0|2,0,0]=4 12506 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [1,1,0,0,0,0|2,0,0]=4 12507 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [1,1,0,0,0,0|2,0,0]=4 12508 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [1,1,0,0,0,0|2,0,0]=4 12509 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [1,1,0,0,0,0|2,0,0]=4 12510 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [1,1,0,0,0,0|2,0,0]=4 12511 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [1,1,0,0,0,0|2,0,0]=4 12512 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [1,1,0,0,0,0|2,0,0]=4 12513 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [1,1,0,0,0,0|1,0,0]=3 12514 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [1,1,0,0,0,0|1,0,0]=3 12515 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [1,1,0,0,0,0|1,0,0]=3 12516 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [1,1,0,0,0,0|1,0,0]=3 12517 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [1,1,0,0,0,0|2,0,0]=4 12518 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [1,1,0,0,0,0|2,0,0]=4 12519 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [1,1,0,0,0,0|2,0,0]=4 12520 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [1,1,0,0,0,0|2,0,0]=4 12521 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [1,1,0,0,0,0|2,0,0]=4 12522 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [1,1,0,0,0,0|2,0,0]=4 12523 B12R1.28 [O-][n+]1cccc(c1)COCCO 34a_100000037817_100000211926 [1,1,0,0,0,0|2,0,0]=4 12524 B12R1.28 [O-][n+]1cccc(c1)COCCO 7a_100000037817_100000211926 [1,1,0,0,0,0|2,0,0]=4 12525 B12R1.28 [O-][n+]1cccc(c1)OCCCO 34a_100000039713_100000230001 [1,1,0,0,0,0|2,0,0]=4 12526 B12R1.28 [O-][n+]1cccc(c1)OCCCO 7a_100000039713_100011215043 [1,1,0,0,0,0|2,0,0]=4 12527 B12R1.28 [O-][n+]1cccc(c1)SCCCO 62a_100011215043_100009815978 [1,1,0,0,0,0|2,0,0]=4 12528 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,1,0,0,0,0|2,0,0]=4 12529 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 12530 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,1,0,0,0,0|2,0,0]=4 12531 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,1,0,0,0,0|2,0,0]=4 12532 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,1,0,0,0,0|2,0,0]=4 12533 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,1,0,0,0,0|2,0,0]=4 12534 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,1,0,0,0,0|2,0,0]=4 12535 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,1,0,0,0,0|1,0,0]=3 12536 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,1,0,0,0,0|1,0,0]=3 12537 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,1,0,0,0,0|1,0,0]=3 12538 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [1,1,0,0,0,0|2,0,0]=4 12539 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [1,1,0,0,0,0|2,0,0]=4 12540 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [1,1,0,0,0,0|2,0,0]=4 12541 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [1,1,0,0,0,0|2,0,0]=4 12542 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [1,1,0,0,0,0|2,0,0]=4 12543 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [1,1,0,0,0,0|2,0,0]=4 12544 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [1,1,0,0,0,0|2,0,0]=4 12545 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [1,1,0,0,0,0|2,0,0]=4 12546 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [1,1,0,0,0,0|2,0,0]=4 12547 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [1,1,0,0,0,0|2,0,0]=4 12548 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,1,0,0,0,0|1,0,0]=3 12549 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,1,0,0,0,0|1,0,0]=3 12550 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [1,1,0,0,0,0|0,0,1]=3 12551 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [1,1,0,0,0,0|1,0,0]=3 12552 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [1,1,0,0,0,0|1,0,0]=3 12553 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [1,1,0,0,0,0|1,0,0]=3 12554 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [1,1,0,0,0,0|1,0,0]=3 12555 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [1,1,0,0,0,0|1,0,0]=3 12556 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [1,1,0,0,0,0|1,0,0]=3 12557 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [1,1,0,0,0,0|1,0,0]=3 12558 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [1,1,0,0,0,0|1,0,0]=3 12559 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [1,1,0,0,0,0|1,0,0]=3 12560 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [1,1,0,0,0,0|1,0,1]=4 12561 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [1,1,0,0,0,0|1,0,1]=4 12562 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [1,1,0,0,0,0|1,0,1]=4 12563 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [1,1,0,0,0,0|1,0,1]=4 12564 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,1,0,0,0,0|1,0,0]=3 12565 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [1,1,0,0,0,0|2,0,0]=4 12566 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [1,1,0,0,0,0|2,0,0]=4 12567 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [1,1,0,0,0,0|2,0,0]=4 12568 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [1,1,0,0,0,0|2,0,0]=4 12569 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [1,1,0,0,0,0|2,0,0]=4 12570 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [1,1,0,0,0,0|2,0,0]=4 12571 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,1,0,0,0,0|1,0,0]=3 12572 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,1,0,0,0,0|1,0,0]=3 12573 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,1,0,0,0,0|1,0,0]=3 12574 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,1,0,0,0,0|1,0,0]=3 12575 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,1,0,0,0,0|1,0,0]=3 12576 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,1,0,0,0,0|1,0,0]=3 12577 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 12578 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,1,0,0,0,0|1,0,0]=3 12579 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,1,0,0,0,0|1,0,0]=3 12580 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,1,0,0,0,0|1,0,0]=3 12581 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,1,0,0,0,0|1,0,0]=3 12582 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,1,0,0,0,0|1,0,0]=3 12583 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [1,1,0,0,0,0|2,0,0]=4 12584 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [1,1,0,0,0,0|2,0,0]=4 12585 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,1,0,0,0,0|1,0,0]=3 12586 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,1,0,0,0,0|1,0,0]=3 12587 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,1,0,0,0,0|1,0,0]=3 12588 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,1,0,0,0,0|1,0,0]=3 12589 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,1,0,0,0,0|1,0,0]=3 12590 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [1,1,0,0,0,0|2,0,0]=4 12591 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,1,0,0,0,0|1,0,0]=3 12592 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [1,1,0,0,0,0|2,0,0]=4 12593 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,1,0,0,0,0|1,0,0]=3 12594 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [1,1,0,0,0,0|1,0,1]=4 12595 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [1,1,0,0,0,0|1,0,1]=4 12596 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,1,0,0,0,0|1,0,0]=3 12597 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,1,0,0,0,0|1,0,0]=3 12598 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,1,0,0,0,0|1,0,0]=3 12599 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,1,0,0,0,0|1,0,0]=3 12600 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [1,1,0,0,0,0|2,0,0]=4 12601 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,1,0,0,0,0|1,0,0]=3 12602 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,1,0,0,0,0|1,0,0]=3 12603 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [1,1,0,0,0,0|2,0,0]=4 12604 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [1,1,0,0,0,0|2,0,0]=4 12605 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [1,1,0,0,0,0|2,0,0]=4 12606 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [1,1,0,0,0,0|1,0,0]=3 12607 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [1,1,0,0,0,0|1,0,0]=3 12608 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [1,1,0,0,0,0|1,0,0]=3 12609 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [1,1,0,0,0,0|1,0,0]=3 12610 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [1,1,0,0,0,0|1,0,0]=3 12611 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [1,1,0,0,0,0|1,0,0]=3 12612 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [1,1,0,0,0,0|1,0,1]=4 12613 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [1,1,0,0,0,0|1,0,1]=4 12614 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,1,0,0,0,0|1,0,0]=3 12615 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,1,0,0,0,0|1,0,0]=3 12616 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [1,1,0,0,0,0|2,0,0]=4 12617 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [1,1,0,0,0,0|2,0,0]=4 12618 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,1,0,0,0,0|1,0,0]=3 12619 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,1,0,0,0,0|1,0,0]=3 12620 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,1,0,0,0,0|1,0,0]=3 12621 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [1,1,0,0,0,0|1,0,1]=4 12622 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [1,1,0,0,0,0|2,0,0]=4 12623 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [1,1,0,0,0,0|2,0,0]=4 12624 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [1,1,0,0,0,0|2,0,0]=4 12625 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,1,0,0,0,0|1,0,0]=3 12626 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,1,0,0,0,0|1,0,0]=3 12627 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,1,0,0,0,0|2,0,0]=4 12628 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,1,0,0,0,0|2,0,0]=4 12629 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,1,0,0,0,0|2,0,0]=4 12630 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [1,1,0,0,0,0|1,0,1]=4 12631 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [1,1,0,0,0,0|1,0,1]=4 12632 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [1,1,0,0,0,0|1,0,1]=4 12633 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [1,1,0,0,0,0|2,0,0]=4 12634 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [1,1,0,0,0,0|2,0,0]=4 12635 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [1,1,0,0,0,0|2,0,0]=4 12636 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [1,1,0,0,0,0|2,0,0]=4 12637 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,1,0,0,0,0|1,0,0]=3 12638 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,1,0,0,0,0|1,0,0]=3 12639 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,1,0,0,0,0|2,0,0]=4 12640 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,1,0,0,0,0|2,0,0]=4 12641 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,1,0,0,0,0|2,0,0]=4 12642 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,1,0,0,0,0|2,0,0]=4 12643 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,1,0,0,0,0|2,0,0]=4 12644 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,1,0,0,0,0|1,0,0]=3 12645 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [1,1,0,0,0,0|2,0,0]=4 12646 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [1,1,0,0,0,0|2,0,0]=4 12647 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,1,0,0,0,0|1,0,0]=3 12648 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,1,0,0,0,0|1,0,0]=3 12649 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,1,0,0,0,0|2,0,0]=4 12650 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [1,1,0,0,0,0|1,0,1]=4 12651 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [1,1,0,0,0,0|0,0,1]=3 12652 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [1,1,0,0,0,0|1,0,1]=4 12653 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [1,1,0,0,0,0|1,0,1]=4 12654 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [1,1,0,0,0,0|2,0,0]=4 12655 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [1,1,0,0,0,0|2,0,0]=4 12656 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [1,1,0,0,0,0|2,0,0]=4 12657 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [1,1,0,0,0,0|2,0,0]=4 12658 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [1,1,0,0,0,0|1,0,0]=3 12659 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [1,1,0,0,0,0|1,0,0]=3 12660 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [1,1,0,0,0,0|1,0,0]=3 12661 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,1,0,0,0,0|1,0,0]=3 12662 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,1,0,0,0,0|1,0,0]=3 12663 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [1,1,0,0,0,0|1,0,1]=4 12664 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [1,1,0,0,0,0|1,0,1]=4 12665 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [1,1,0,0,0,0|2,0,0]=4 12666 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,1,0,0,0,0|1,0,0]=3 12667 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,1,0,0,0,0|1,0,0]=3 12668 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [1,1,0,0,0,0|1,0,0]=3 12669 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [1,1,0,0,0,0|1,0,0]=3 12670 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [1,1,0,0,0,0|1,0,0]=3 12671 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [1,1,0,0,0,0|2,0,0]=4 12672 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [1,1,0,0,0,0|2,0,0]=4 12673 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [1,1,0,0,0,0|2,0,0]=4 12674 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [1,1,0,0,0,0|1,0,0]=3 12675 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [1,1,0,0,0,0|1,0,0]=3 12676 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [1,1,0,0,0,0|2,0,0]=4 12677 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [1,1,0,0,0,0|2,0,0]=4 12678 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [1,1,0,0,0,0|2,0,0]=4 12679 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [1,1,0,0,0,0|2,0,0]=4 12680 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [1,1,0,0,0,0|2,0,0]=4 12681 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [1,1,0,0,0,0|2,0,0]=4 12682 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [1,1,0,0,0,0|2,0,0]=4 12683 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [1,1,0,0,0,0|2,0,0]=4 12684 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [1,1,0,0,0,0|1,0,0]=3 12685 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [1,1,0,0,0,0|1,0,0]=3 12686 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [1,1,0,0,0,0|2,0,0]=4 12687 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [1,1,0,0,0,0|2,0,0]=4 12688 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [1,1,0,0,0,0|2,0,0]=4 12689 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [1,1,0,0,0,0|2,0,0]=4 12690 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [1,1,0,0,0,0|2,0,0]=4 12691 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [1,1,0,0,0,0|2,0,0]=4 12692 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [1,1,0,0,0,0|1,0,1]=4 12693 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [1,1,0,0,0,0|0,0,1]=3 12694 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [1,1,0,0,0,0|1,0,1]=4 12695 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [1,1,0,0,0,0|1,0,1]=4 12696 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [1,1,0,0,0,0|1,0,1]=4 12697 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [1,1,0,0,0,0|1,0,1]=4 12698 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [1,1,0,0,0,0|1,0,1]=4 12699 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [1,1,0,0,0,0|1,0,1]=4 12700 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [1,1,0,0,0,0|1,0,1]=4 12701 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [1,1,0,0,0,0|1,0,1]=4 12702 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [1,1,0,0,0,0|1,0,1]=4 12703 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [1,1,0,0,0,0|1,0,0]=3 12704 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [1,1,0,0,0,0|1,0,0]=3 12705 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [1,1,0,0,0,0|1,0,0]=3 12706 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [1,1,0,0,0,0|2,0,0]=4 12707 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [1,1,0,0,0,0|2,0,0]=4 12708 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [1,1,0,0,0,0|2,0,0]=4 12709 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [1,1,0,0,0,0|1,0,0]=3 12710 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [1,1,0,0,0,0|1,0,0]=3 12711 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [1,1,0,0,0,0|2,0,0]=4 12712 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [1,1,0,0,0,0|2,0,0]=4 12713 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [1,1,0,0,0,0|2,0,0]=4 12714 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [1,1,0,0,0,0|2,0,0]=4 12715 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [1,1,0,0,0,0|2,0,0]=4 12716 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [1,1,0,0,0,0|2,0,0]=4 12717 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [1,1,0,0,0,0|1,0,0]=3 12718 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [1,1,0,0,0,0|1,0,0]=3 12719 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [1,1,0,0,0,0|1,0,0]=3 12720 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [1,1,0,0,0,0|1,0,0]=3 12721 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [1,1,0,0,0,0|1,0,0]=3 12722 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [1,1,0,0,0,0|1,0,0]=3 12723 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [1,1,0,0,0,0|1,0,0]=3 12724 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [1,1,0,0,0,0|2,0,0]=4 12725 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [1,1,0,0,0,0|2,0,0]=4 12726 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [1,1,0,0,0,0|2,0,0]=4 12727 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [1,1,0,0,0,0|2,0,0]=4 12728 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [1,1,0,0,0,0|2,0,0]=4 12729 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [1,1,0,0,0,0|2,0,0]=4 12730 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [1,1,0,0,0,0|2,0,0]=4 12731 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [1,1,0,0,0,0|2,0,0]=4 12732 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [1,1,0,0,0,0|2,0,0]=4 12733 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [1,1,0,0,0,0|2,0,0]=4 12734 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [1,1,0,0,0,0|2,0,0]=4 12735 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [1,1,0,0,0,0|2,0,0]=4 12736 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [1,1,0,0,0,0|2,0,0]=4 12737 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [1,1,0,0,0,0|2,0,0]=4 12738 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [1,1,0,0,0,0|2,0,0]=4 12739 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [1,1,0,0,0,0|2,0,0]=4 12740 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [1,1,0,0,0,0|2,0,0]=4 12741 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [1,1,0,0,0,0|2,0,0]=4 12742 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [1,1,0,0,0,0|2,0,0]=4 12743 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [1,1,0,0,0,0|1,0,0]=3 12744 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [1,1,0,0,0,0|1,0,0]=3 12745 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [1,1,0,0,0,0|2,0,0]=4 12746 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [1,1,0,0,0,0|2,0,0]=4 12747 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [1,1,0,0,0,0|2,0,0]=4 12748 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [1,1,0,0,0,0|2,0,0]=4 12749 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [1,1,0,0,0,0|2,0,0]=4 12750 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [1,1,0,0,0,0|2,0,0]=4 12751 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [1,1,0,0,0,0|2,0,0]=4 12752 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [1,1,0,0,0,0|2,0,0]=4 12753 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [1,1,0,0,0,0|2,0,0]=4 12754 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [1,1,0,0,0,0|2,0,0]=4 12755 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [1,1,0,0,0,0|1,0,0]=3 12756 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [1,1,0,0,0,0|1,0,0]=3 12757 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [1,1,0,0,0,0|1,0,0]=3 12758 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [1,1,0,0,0,0|1,0,0]=3 12759 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [1,1,0,0,0,0|1,0,0]=3 12760 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [1,1,0,0,0,0|2,0,0]=4 12761 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [1,1,0,0,0,0|2,0,0]=4 12762 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [1,1,0,0,0,0|1,0,0]=3 12763 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [1,1,0,0,0,0|1,0,0]=3 12764 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [1,1,0,0,0,0|1,0,0]=3 12765 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [1,1,0,0,0,0|1,0,0]=3 12766 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [1,1,0,0,0,0|1,0,0]=3 12767 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [1,1,0,0,0,0|1,0,0]=3 12768 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [1,1,0,0,0,0|1,0,0]=3 12769 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [1,1,0,0,0,0|2,0,0]=4 12770 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [1,1,0,0,0,0|2,0,0]=4 12771 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [1,1,0,0,0,0|2,0,0]=4 12772 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [1,1,0,0,0,0|2,0,0]=4 12773 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [1,1,0,0,0,0|2,0,0]=4 12774 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [1,1,0,0,0,0|2,0,0]=4 12775 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [1,1,0,0,0,0|2,0,0]=4 12776 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [1,1,0,0,0,0|2,0,0]=4 12777 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [1,1,0,0,0,0|2,0,0]=4 12778 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [1,1,0,0,0,0|2,0,0]=4 12779 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [1,1,0,0,0,0|2,0,0]=4 12780 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [1,1,0,0,0,0|2,0,0]=4 12781 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [1,1,0,0,0,0|2,0,0]=4 12782 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [1,1,0,0,0,0|2,0,0]=4 12783 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [1,1,0,0,0,0|2,0,0]=4 12784 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [1,1,0,0,0,0|2,0,0]=4 12785 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [1,1,0,0,0,0|1,0,1]=4 12786 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [1,1,0,0,0,0|1,0,1]=4 12787 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [1,1,0,0,0,0|2,0,0]=4 12788 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [1,1,0,0,0,0|2,0,0]=4 12789 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [1,1,0,0,0,0|1,0,0]=3 12790 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [1,1,0,0,0,0|1,0,0]=3 12791 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [1,1,0,0,0,0|1,0,0]=3 12792 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [1,1,0,0,0,0|1,0,0]=3 12793 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [1,1,0,0,0,0|1,0,1]=4 12794 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [1,1,0,0,0,0|1,0,0]=3 12795 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [1,1,0,0,0,0|1,0,0]=3 12796 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [1,1,0,0,0,0|2,0,0]=4 12797 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [1,1,0,0,0,0|2,0,0]=4 12798 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [1,1,0,0,0,0|2,0,0]=4 12799 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [1,1,0,0,0,0|2,0,0]=4 12800 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [1,1,0,0,0,0|2,0,0]=4 12801 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [1,1,0,0,0,0|2,0,0]=4 12802 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [1,1,0,0,0,0|2,0,0]=4 12803 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [1,1,0,0,0,0|1,0,0]=3 12804 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [1,1,0,0,0,0|2,0,0]=4 12805 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [1,1,0,0,0,0|2,0,0]=4 12806 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [1,1,0,0,0,0|1,0,0]=3 12807 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [1,1,0,0,0,0|1,0,1]=4 12808 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [1,1,0,0,0,0|1,0,1]=4 12809 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [1,1,0,0,0,0|1,0,1]=4 12810 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [1,1,0,0,0,0|2,0,0]=4 12811 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [1,1,0,0,0,0|2,0,0]=4 12812 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [1,1,0,0,0,0|1,0,0]=3 12813 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [1,1,0,0,0,0|1,0,0]=3 12814 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [1,1,0,0,0,0|1,0,1]=4 12815 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [1,1,0,0,0,0|0,0,1]=3 12816 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [1,1,0,0,0,0|1,0,1]=4 12817 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [1,1,0,0,0,0|1,0,1]=4 12818 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [1,1,0,0,0,0|1,0,1]=4 12819 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [1,1,0,0,0,0|1,0,1]=4 12820 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [1,1,0,0,0,0|1,0,1]=4 12821 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [1,1,0,0,0,0|1,0,1]=4 12822 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [1,1,0,0,0,0|1,0,0]=3 12823 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [1,1,0,0,0,0|1,0,0]=3 12824 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [1,1,0,0,0,0|2,0,0]=4 12825 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [1,1,0,0,0,0|2,0,0]=4 12826 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [1,1,0,0,0,0|1,0,0]=3 12827 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [1,1,0,0,0,0|1,0,0]=3 12828 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [1,1,0,0,0,0|1,0,1]=4 12829 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [1,1,0,0,0,0|1,0,1]=4 12830 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [1,1,0,0,0,0|1,0,0]=3 12831 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [1,1,0,0,0,0|1,0,0]=3 12832 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [1,1,0,0,0,0|1,0,1]=4 12833 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [1,1,0,0,0,0|1,0,1]=4 12834 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [1,1,0,0,0,0|1,0,1]=4 12835 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [1,1,0,0,0,0|1,0,1]=4 12836 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [1,1,0,0,0,0|1,0,1]=4 12837 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [1,1,0,0,0,0|1,0,1]=4 12838 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [1,1,0,0,0,0|1,0,1]=4 12839 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [1,1,0,0,0,0|1,0,1]=4 12840 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [1,1,0,0,0,0|1,0,1]=4 12841 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [1,1,0,0,0,0|1,0,1]=4 12842 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [1,1,0,0,0,0|1,0,1]=4 12843 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [1,1,0,0,0,0|1,0,1]=4 12844 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,1,0,0,0,0|0,0,1]=3 12845 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,1,0,0,0,0|0,0,1]=3 12846 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [1,1,0,0,0,0|1,0,1]=4 12847 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [1,1,0,0,0,0|1,0,1]=4 12848 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,1,0,0,0,0|1,0,1]=4 12849 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,1,0,0,0,0|1,0,1]=4 12850 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,1,0,0,0,0|1,0,1]=4 12851 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,1,0,0,0,0|1,0,1]=4 12852 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,1,0,0,0,0|1,0,1]=4 12853 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,1,0,0,0,0|1,0,1]=4 12854 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,1,0,0,0,0|1,0,1]=4 12855 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,1,0,0,0,0|1,0,1]=4 12856 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,1,0,0,0,0|1,0,1]=4 12857 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,1,0,0,0,0|1,0,1]=4 12858 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,1,0,0,0,0|1,0,1]=4 12859 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,1,0,0,0,0|1,0,1]=4 12860 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,1,0,0,0,0|1,0,1]=4 12861 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,1,0,0,0,0|1,0,1]=4 12862 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,1,0,0,0,0|1,0,1]=4 12863 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [1,1,0,0,0,0|1,0,0]=3 12864 B12R1.252 CC(Br)COCc1ccccn1 34a_100012180447_100000721315 [1,1,0,0,0,0|2,0,0]=4 12865 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [1,1,0,0,0,0|2,0,0]=4 12866 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [1,1,0,0,0,0|0,0,2]=4 12867 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [1,1,0,0,0,0|1,0,0]=3 12868 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [1,1,0,0,0,0|1,0,0]=3 12869 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [1,1,0,0,0,0|1,0,0]=3 12870 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [1,1,0,0,0,0|2,0,0]=4 12871 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [1,1,0,0,0,0|2,0,0]=4 12872 B12R1.252 CC(C)CCOc1ccncc1 34a_100000212176_100000210312 [1,1,0,0,0,0|2,0,0]=4 12873 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [1,1,0,0,0,0|1,0,0]=3 12874 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [1,1,0,0,0,0|1,0,0]=3 12875 B12R1.252 CC(C)CCSc1ccccn1 62a_100000210312_100011216584 [1,1,0,0,0,0|2,0,0]=4 12876 B12R1.252 CC(C)CCSc1ccccn1 62a_100011216584_100000210312 [1,1,0,0,0,0|2,0,0]=4 12877 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [1,1,0,0,0,0|2,0,0]=4 12878 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [1,1,0,0,0,0|2,0,0]=4 12879 B12R1.252 CC(C)CCSc1ccncc1 62a_100000210312_100000728582 [1,1,0,0,0,0|2,0,0]=4 12880 B12R1.252 CC(C)CCSc1ccncc1 62a_100000728582_100000210312 [1,1,0,0,0,0|2,0,0]=4 12881 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [1,1,0,0,0,0|1,0,0]=3 12882 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [1,1,0,0,0,0|1,0,0]=3 12883 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [1,1,0,0,0,0|1,0,0]=3 12884 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [1,1,0,0,0,0|1,0,0]=3 12885 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [1,1,0,0,0,0|1,0,0]=3 12886 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [1,1,0,0,0,0|1,0,0]=3 12887 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [1,1,0,0,0,0|1,0,0]=3 12888 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [1,1,0,0,0,0|2,0,0]=4 12889 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [1,1,0,0,0,0|2,0,0]=4 12890 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [1,1,0,0,0,0|2,0,0]=4 12891 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [1,1,0,0,0,0|2,0,0]=4 12892 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [1,1,0,0,0,0|2,0,0]=4 12893 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [1,1,0,0,0,0|2,0,0]=4 12894 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [1,1,0,0,0,0|2,0,0]=4 12895 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [1,1,0,0,0,0|2,0,0]=4 12896 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [1,1,0,0,0,0|2,0,0]=4 12897 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [1,1,0,0,0,0|2,0,0]=4 12898 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [1,1,0,0,0,0|2,0,0]=4 12899 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [1,1,0,0,0,0|2,0,0]=4 12900 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [1,1,0,0,0,0|1,0,0]=3 12901 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [1,1,0,0,0,0|1,0,0]=3 12902 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [1,1,0,0,0,0|1,0,0]=3 12903 B12R1.252 CC(C)COCc1ccccn1 34a_100000210257_100000721315 [1,1,0,0,0,0|2,0,0]=4 12904 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [1,1,0,0,0,0|2,0,0]=4 12905 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [1,1,0,0,0,0|1,0,0]=3 12906 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [1,1,0,0,0,0|1,0,0]=3 12907 B12R1.252 CC(C)CSCc1ccccn1 62a_100000210624_100000721315 [1,1,0,0,0,0|2,0,0]=4 12908 B12R1.252 CC(C)CSCc1ccccn1 62a_100000721315_100000210760 [1,1,0,0,0,0|2,0,0]=4 12909 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [1,1,0,0,0,0|2,0,0]=4 12910 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [1,1,0,0,0,0|2,0,0]=4 12911 B12R1.252 CC(C)CSCc1ccncc1 62a_100000210624_100015193705 [1,1,0,0,0,0|2,0,0]=4 12912 B12R1.252 CC(C)CSCc1ccncc1 62a_100015193705_100000210760 [1,1,0,0,0,0|2,0,0]=4 12913 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [1,1,0,0,0,0|1,0,0]=3 12914 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [1,1,0,0,0,0|1,0,0]=3 12915 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [1,1,0,0,0,0|1,0,0]=3 12916 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [1,1,0,0,0,0|1,0,0]=3 12917 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [1,1,0,0,0,0|2,0,0]=4 12918 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [1,1,0,0,0,0|2,0,0]=4 12919 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [1,1,0,0,0,0|2,0,0]=4 12920 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [1,1,0,0,0,0|2,0,0]=4 12921 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [1,1,0,0,0,0|2,0,0]=4 12922 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [1,1,0,0,0,0|1,0,0]=3 12923 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [1,1,0,0,0,0|1,0,0]=3 12924 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [1,1,0,0,0,0|1,0,0]=3 12925 B12R1.252 CC(C)OCCc1ccccn1 34a_100000210271_100000210206 [1,1,0,0,0,0|2,0,0]=4 12926 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [1,1,0,0,0,0|2,0,0]=4 12927 B12R1.252 CC(C)OCCc1ccncc1 34a_100011216225_100000210206 [1,1,0,0,0,0|2,0,0]=4 12928 B12R1.252 CC(C)OCNc1ccccc1 34a_100000106764_100000709892 [1,1,0,0,0,0|2,0,0]=4 12929 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [1,1,0,0,0,0|2,0,0]=4 12930 B12R1.252 CC(C)OCSc1ccccc1 62a_100000709892_100000041952 [1,1,0,0,0,0|2,0,0]=4 12931 B12R1.252 CC(C)OCSc1ccccc1 62a_100000719477_100000709892 [1,1,0,0,0,0|2,0,0]=4 12932 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [1,1,0,0,0,0|1,0,0]=3 12933 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [1,1,0,0,0,0|1,0,0]=3 12934 B12R1.252 CC(C)SCCc1ccccn1 62a_100000210206_100015183660 [1,1,0,0,0,0|2,0,0]=4 12935 B12R1.252 CC(C)SCCc1ccccn1 62a_100015183660_100000210206 [1,1,0,0,0,0|2,0,0]=4 12936 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [1,1,0,0,0,0|2,0,0]=4 12937 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [1,1,0,0,0,0|2,0,0]=4 12938 B12R1.252 CC(C)SCCc1ccncc1 62a_100000210206_100000723409 [1,1,0,0,0,0|2,0,0]=4 12939 B12R1.252 CC(C)SCCc1ccncc1 62a_100000723409_100000210206 [1,1,0,0,0,0|2,0,0]=4 12940 B12R1.252 CC(C)SCSc1ccccc1 62a_100000210206_100011218342 [1,1,0,0,0,0|2,0,0]=4 12941 B12R1.252 CC(C)SCSc1ccccc1 62a_100011218342_100000210206 [1,1,0,0,0,0|2,0,0]=4 12942 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [1,1,0,0,0,0|1,0,0]=3 12943 B12R1.252 CC(F)COCc1ccccn1 34a_100015925927_100000721315 [1,1,0,0,0,0|2,0,0]=4 12944 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [1,1,0,0,0,0|2,0,0]=4 12945 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [1,1,0,0,0,0|1,0,0]=3 12946 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [1,1,0,0,0,0|1,0,0]=3 12947 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [1,1,0,0,0,0|1,0,0]=3 12948 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [1,1,0,0,0,0|2,0,0]=4 12949 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [1,1,0,0,0,0|2,0,0]=4 12950 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [1,1,0,0,0,0|2,0,0]=4 12951 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [1,1,0,0,0,0|1,0,0]=3 12952 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [1,1,0,0,0,0|1,0,0]=3 12953 B12R1.252 CC(O)CCSc1ccccn1 62a_100011216584_100012276601 [1,1,0,0,0,0|2,0,0]=4 12954 B12R1.252 CC(O)CCSc1ccccn1 62a_100012276601_100011216584 [1,1,0,0,0,0|2,0,0]=4 12955 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [1,1,0,0,0,0|2,0,0]=4 12956 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [1,1,0,0,0,0|2,0,0]=4 12957 B12R1.252 CC(O)CCSc1ccncc1 62a_100000728582_100012276601 [1,1,0,0,0,0|2,0,0]=4 12958 B12R1.252 CC(O)CCSc1ccncc1 62a_100012276601_100000728582 [1,1,0,0,0,0|2,0,0]=4 12959 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [1,1,0,0,0,0|1,0,0]=3 12960 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [1,1,0,0,0,0|1,0,0]=3 12961 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [1,1,0,0,0,0|1,0,0]=3 12962 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [1,1,0,0,0,0|1,0,0]=3 12963 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [1,1,0,0,0,0|1,0,0]=3 12964 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [1,1,0,0,0,0|1,0,0]=3 12965 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [1,1,0,0,0,0|2,0,0]=4 12966 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [1,1,0,0,0,0|2,0,0]=4 12967 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [1,1,0,0,0,0|2,0,0]=4 12968 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [1,1,0,0,0,0|2,0,0]=4 12969 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [1,1,0,0,0,0|2,0,0]=4 12970 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [1,1,0,0,0,0|2,0,0]=4 12971 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [1,1,0,0,0,0|2,0,0]=4 12972 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [1,1,0,0,0,0|2,0,0]=4 12973 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [1,1,0,0,0,0|2,0,0]=4 12974 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [1,1,0,0,0,0|2,0,0]=4 12975 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [1,1,0,0,0,0|1,0,0]=3 12976 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [1,1,0,0,0,0|1,0,0]=3 12977 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [1,1,0,0,0,0|1,0,0]=3 12978 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [1,1,0,0,0,0|1,0,0]=3 12979 B12R1.252 CC(O)CSCc1ccccn1 62a_100000721315_100011218427 [1,1,0,0,0,0|2,0,0]=4 12980 B12R1.252 CC(O)CSCc1ccccn1 62a_100011218427_100000721315 [1,1,0,0,0,0|2,0,0]=4 12981 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [1,1,0,0,0,0|2,0,0]=4 12982 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [1,1,0,0,0,0|2,0,0]=4 12983 B12R1.252 CC(O)CSCc1ccncc1 62a_100011218427_100015193705 [1,1,0,0,0,0|2,0,0]=4 12984 B12R1.252 CC(O)CSCc1ccncc1 62a_100015193705_100011218427 [1,1,0,0,0,0|2,0,0]=4 12985 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [1,1,0,0,0,0|1,0,0]=3 12986 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [1,1,0,0,0,0|1,0,0]=3 12987 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [1,1,0,0,0,0|1,0,0]=3 12988 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [1,1,0,0,0,0|1,0,0]=3 12989 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [1,1,0,0,0,0|2,0,0]=4 12990 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [1,1,0,0,0,0|2,0,0]=4 12991 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [1,1,0,0,0,0|2,0,0]=4 12992 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [1,1,0,0,0,0|2,0,0]=4 12993 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [1,1,0,0,0,0|2,0,0]=4 12994 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [1,1,0,0,0,0|2,0,0]=4 12995 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [1,1,0,0,0,0|2,0,0]=4 12996 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [1,1,0,0,0,0|2,0,0]=4 12997 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [1,1,0,0,0,0|2,0,0]=4 12998 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [1,1,0,0,0,0|2,0,0]=4 12999 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [1,1,0,0,0,0|2,0,0]=4 13000 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [1,1,0,0,0,0|2,0,0]=4 13001 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [1,1,0,0,0,0|1,0,0]=3 13002 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [1,1,0,0,0,0|1,0,0]=3 13003 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [1,1,0,0,0,0|2,0,0]=4 13004 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [1,1,0,0,0,0|2,0,0]=4 13005 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [1,1,0,0,0,0|1,0,0]=3 13006 B12R1.252 C[C@@H](Cl)COCc1ccccn1 34a_100016084084_100000721315 [1,1,0,0,0,0|2,0,0]=4 13007 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [1,1,0,0,0,0|2,0,0]=4 13008 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [1,1,0,0,0,0|1,0,0]=3 13009 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [1,1,0,0,0,0|2,0,0]=4 13010 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [1,1,0,0,0,0|2,0,0]=4 13011 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [1,1,0,0,0,0|1,0,0]=3 13012 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [1,1,0,0,0,0|1,0,0]=3 13013 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [1,1,0,0,0,0|1,0,0]=3 13014 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [1,1,0,0,0,0|1,0,0]=3 13015 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [1,1,0,0,0,0|1,0,0]=3 13016 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [1,1,0,0,0,0|1,0,0]=3 13017 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100000721315_100009817552 [1,1,0,0,0,0|2,0,0]=4 13018 B12R1.252 C[C@@H](O)CSCc1ccccn1 62a_100009817552_100000721315 [1,1,0,0,0,0|2,0,0]=4 13019 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [1,1,0,0,0,0|2,0,0]=4 13020 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [1,1,0,0,0,0|2,0,0]=4 13021 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100009817552_100015193705 [1,1,0,0,0,0|2,0,0]=4 13022 B12R1.252 C[C@@H](O)CSCc1ccncc1 62a_100015193705_100009817552 [1,1,0,0,0,0|2,0,0]=4 13023 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [1,1,0,0,0,0|2,0,0]=4 13024 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [1,1,0,0,0,0|2,0,0]=4 13025 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [1,1,0,0,0,0|2,0,0]=4 13026 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [1,1,0,0,0,0|2,0,0]=4 13027 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [1,1,0,0,0,0|2,0,0]=4 13028 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [1,1,0,0,0,0|2,0,0]=4 13029 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [1,1,0,0,0,0|2,0,0]=4 13030 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [1,1,0,0,0,0|2,0,0]=4 13031 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [1,1,0,0,0,0|2,0,0]=4 13032 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [1,1,0,0,0,0|2,0,0]=4 13033 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,1,0,0,0,0|1,0,1]=4 13034 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,1,0,0,0,0|0,0,1]=3 13035 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [1,1,0,0,0,0|1,0,1]=4 13036 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [1,1,0,0,0,0|1,0,1]=4 13037 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,1,0,0,0,0|1,0,1]=4 13038 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,1,0,0,0,0|1,0,1]=4 13039 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,1,0,0,0,0|1,0,1]=4 13040 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,1,0,0,0,0|1,0,1]=4 13041 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [1,1,0,0,0,0|2,0,0]=4 13042 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [1,1,0,0,0,0|2,0,0]=4 13043 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [1,1,0,0,0,0|0,0,2]=4 13044 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [1,1,0,0,0,0|0,0,2]=4 13045 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [1,1,0,0,0,0|0,0,2]=4 13046 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [1,1,0,0,0,0|0,0,2]=4 13047 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [1,1,0,0,0,0|0,0,2]=4 13048 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,1,0,0,0,0|0,0,2]=4 13049 B12R1.267 CCCCCc1ncncc1O 271570a_203496583355_100009816991 [1,1,0,0,0,0|2,0,0]=4 13050 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [1,1,0,0,0,0|1,0,0]=3 13051 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [1,1,0,0,0,0|1,0,0]=3 13052 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [1,1,0,0,0,0|1,0,0]=3 13053 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [1,1,0,0,0,0|1,0,0]=3 13054 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [1,1,0,0,0,0|1,0,0]=3 13055 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [1,1,0,0,0,0|1,0,0]=3 13056 B12R1.267 CCCCNc1ccncc1Br 27a_100000102301_100000726257 [1,1,0,0,0,0|2,0,0]=4 13057 B12R1.267 CCCCNc1ccncc1C 27a_100000102301_100000765111 [1,1,0,0,0,0|2,0,0]=4 13058 B12R1.267 CCCCNc1ccncc1F 27a_100000102301_100000035921 [1,1,0,0,0,0|2,0,0]=4 13059 B12R1.267 CCCCNc1ncccc1Br 27a_100000102301_100000696092 [1,1,0,0,0,0|2,0,0]=4 13060 B12R1.267 CCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210211 [1,1,0,0,0,0|2,0,0]=4 13061 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [1,1,0,0,0,0|1,0,0]=3 13062 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [1,1,0,0,0,0|1,0,0]=3 13063 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [1,1,0,0,0,0|1,0,0]=3 13064 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [1,1,0,0,0,0|1,0,0]=3 13065 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [1,1,0,0,0,0|1,0,0]=3 13066 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [1,1,0,0,0,0|1,0,0]=3 13067 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [1,1,0,0,0,0|1,0,0]=3 13068 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [1,1,0,0,0,0|1,0,0]=3 13069 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [1,1,0,0,0,0|1,0,0]=3 13070 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [1,1,0,0,0,0|1,0,0]=3 13071 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [1,1,0,0,0,0|1,0,0]=3 13072 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [1,1,0,0,0,0|1,0,0]=3 13073 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [1,1,0,0,0,0|1,0,0]=3 13074 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [1,1,0,0,0,0|2,0,0]=4 13075 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [1,1,0,0,0,0|2,0,0]=4 13076 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [1,1,0,0,0,0|2,0,0]=4 13077 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [1,1,0,0,0,0|2,0,0]=4 13078 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [1,1,0,0,0,0|2,0,0]=4 13079 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [1,1,0,0,0,0|2,0,0]=4 13080 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [1,1,0,0,0,0|2,0,0]=4 13081 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [1,1,0,0,0,0|2,0,0]=4 13082 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [1,1,0,0,0,0|2,0,0]=4 13083 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [1,1,0,0,0,0|2,0,0]=4 13084 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [1,1,0,0,0,0|2,0,0]=4 13085 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [1,1,0,0,0,0|2,0,0]=4 13086 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [1,1,0,0,0,0|2,0,0]=4 13087 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [1,1,0,0,0,0|2,0,0]=4 13088 B12R1.267 CCCCOc1ccncc1Br 34a_100011996408_100000210210 [1,1,0,0,0,0|2,0,0]=4 13089 B12R1.267 CCCCOc1ccncc1C 34a_100000694293_100000210210 [1,1,0,0,0,0|2,0,0]=4 13090 B12R1.267 CCCCOc1ccncc1Cl 34a_100011997054_100000210210 [1,1,0,0,0,0|2,0,0]=4 13091 B12R1.267 CCCCOc1ccncc1F 34a_200000081243_100000210210 [1,1,0,0,0,0|2,0,0]=4 13092 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [1,1,0,0,0,0|2,0,0]=4 13093 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [1,1,0,0,0,0|2,0,0]=4 13094 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [1,1,0,0,0,0|2,0,0]=4 13095 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [1,1,0,0,0,0|2,0,0]=4 13096 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [1,1,0,0,0,0|2,0,0]=4 13097 B12R1.267 CCCCOc1coccc1=O 34a_100000060831_100000210210 [1,1,0,0,0,0|2,0,0]=4 13098 B12R1.267 CCCCOc1ncccc1Cl 34a_100011290957_100000210210 [1,1,0,0,0,0|2,0,0]=4 13099 B12R1.267 CCCCOc1ncccc1F 34a_100011219419_100000210210 [1,1,0,0,0,0|2,0,0]=4 13100 B12R1.267 CCCCOc1ncccc1N 34a_100000746358_100000210210 [1,1,0,0,0,0|2,0,0]=4 13101 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100000210211_100009998708 [1,1,0,0,0,0|2,0,0]=4 13102 B12R1.267 CCCCSc1c[nH]ccc1=O 62a_100009998708_100000210210 [1,1,0,0,0,0|2,0,0]=4 13103 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_100000210211_200012280681 [1,1,0,0,0,0|2,0,0]=4 13104 B12R1.267 CCCCSc1c[nH]ccc1=S 62a_200012280681_100000210210 [1,1,0,0,0,0|2,0,0]=4 13105 B12R1.267 CCCCSc1cccc[n+]1C 62a_100000210211_100000212160 [1,1,0,0,0,0|2,0,0]=4 13106 B12R1.267 CCCCSc1cccc[n+]1[O-] 62a_100000210211_200000042595 [1,1,0,0,0,0|2,0,0]=4 13107 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [1,1,0,0,0,0|1,0,0]=3 13108 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [1,1,0,0,0,0|1,0,0]=3 13109 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [1,1,0,0,0,0|1,0,0]=3 13110 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [1,1,0,0,0,0|1,0,0]=3 13111 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [1,1,0,0,0,0|1,0,0]=3 13112 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [1,1,0,0,0,0|1,0,0]=3 13113 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [1,1,0,0,0,0|1,0,0]=3 13114 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [1,1,0,0,0,0|1,0,0]=3 13115 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [1,1,0,0,0,0|1,0,0]=3 13116 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [1,1,0,0,0,0|1,0,0]=3 13117 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [1,1,0,0,0,0|1,0,0]=3 13118 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [1,1,0,0,0,0|1,0,0]=3 13119 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [1,1,0,0,0,0|2,0,0]=4 13120 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [1,1,0,0,0,0|2,0,0]=4 13121 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [1,1,0,0,0,0|2,0,0]=4 13122 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [1,1,0,0,0,0|2,0,0]=4 13123 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [1,1,0,0,0,0|2,0,0]=4 13124 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [1,1,0,0,0,0|2,0,0]=4 13125 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [1,1,0,0,0,0|2,0,0]=4 13126 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [1,1,0,0,0,0|2,0,0]=4 13127 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [1,1,0,0,0,0|2,0,0]=4 13128 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [1,1,0,0,0,0|2,0,0]=4 13129 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [1,1,0,0,0,0|2,0,0]=4 13130 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [1,1,0,0,0,0|2,0,0]=4 13131 B12R1.267 CCCCSc1ccncc1Br 62a_100000210211_100000726257 [1,1,0,0,0,0|2,0,0]=4 13132 B12R1.267 CCCCSc1ccncc1Br 62a_100000726257_100000210210 [1,1,0,0,0,0|2,0,0]=4 13133 B12R1.267 CCCCSc1ccncc1C 62a_100000210211_100000765111 [1,1,0,0,0,0|2,0,0]=4 13134 B12R1.267 CCCCSc1ccncc1C 62a_100000765111_100000210210 [1,1,0,0,0,0|2,0,0]=4 13135 B12R1.267 CCCCSc1ccncc1Cl 62a_100000210211_100000708259 [1,1,0,0,0,0|2,0,0]=4 13136 B12R1.267 CCCCSc1ccncc1Cl 62a_100000708259_100000210210 [1,1,0,0,0,0|2,0,0]=4 13137 B12R1.267 CCCCSc1ccncc1F 62a_100000047030_100000210210 [1,1,0,0,0,0|2,0,0]=4 13138 B12R1.267 CCCCSc1ccncc1F 62a_100000210211_100000047030 [1,1,0,0,0,0|2,0,0]=4 13139 B12R1.267 CCCCSc1ccncc1N 62a_100000210211_100000756074 [1,1,0,0,0,0|2,0,0]=4 13140 B12R1.267 CCCCSc1ccncc1N 62a_100000756074_100000210210 [1,1,0,0,0,0|2,0,0]=4 13141 B12R1.267 CCCCSc1ccncc1O 62a_100000210211_100009817591 [1,1,0,0,0,0|2,0,0]=4 13142 B12R1.267 CCCCSc1ccncc1O 62a_100009817591_100000210210 [1,1,0,0,0,0|2,0,0]=4 13143 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [1,1,0,0,0,0|2,0,0]=4 13144 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [1,1,0,0,0,0|2,0,0]=4 13145 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [1,1,0,0,0,0|2,0,0]=4 13146 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [1,1,0,0,0,0|2,0,0]=4 13147 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [1,1,0,0,0,0|2,0,0]=4 13148 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [1,1,0,0,0,0|2,0,0]=4 13149 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [1,1,0,0,0,0|2,0,0]=4 13150 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [1,1,0,0,0,0|2,0,0]=4 13151 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [1,1,0,0,0,0|2,0,0]=4 13152 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [1,1,0,0,0,0|2,0,0]=4 13153 B12R1.267 CCCCSc1ncccc1Br 62a_100000210211_100000696092 [1,1,0,0,0,0|2,0,0]=4 13154 B12R1.267 CCCCSc1ncccc1Br 62a_100000696092_100000210210 [1,1,0,0,0,0|2,0,0]=4 13155 B12R1.267 CCCCSc1ncccc1C 62a_100000210211_100000751373 [1,1,0,0,0,0|2,0,0]=4 13156 B12R1.267 CCCCSc1ncccc1C 62a_100000751373_100000210210 [1,1,0,0,0,0|2,0,0]=4 13157 B12R1.267 CCCCSc1ncccc1Cl 62a_100000210211_100011356963 [1,1,0,0,0,0|2,0,0]=4 13158 B12R1.267 CCCCSc1ncccc1Cl 62a_100011356963_100000210210 [1,1,0,0,0,0|2,0,0]=4 13159 B12R1.267 CCCCSc1ncccc1F 62a_100000210211_100000685392 [1,1,0,0,0,0|2,0,0]=4 13160 B12R1.267 CCCCSc1ncccc1F 62a_100000685392_100000210210 [1,1,0,0,0,0|2,0,0]=4 13161 B12R1.267 CCCCSc1ncccc1N 62a_100000210211_100000688686 [1,1,0,0,0,0|2,0,0]=4 13162 B12R1.267 CCCCSc1ncccc1N 62a_100000688686_100000210210 [1,1,0,0,0,0|2,0,0]=4 13163 B12R1.267 CCCCSc1ncccc1O 62a_100000034122_100000210210 [1,1,0,0,0,0|2,0,0]=4 13164 B12R1.267 CCCCSc1ncccc1O 62a_100000210211_100000034122 [1,1,0,0,0,0|2,0,0]=4 13165 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [1,1,0,0,0,0|1,0,0]=3 13166 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [1,1,0,0,0,0|1,0,0]=3 13167 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [1,1,0,0,0,0|1,0,0]=3 13168 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [1,1,0,0,0,0|1,0,0]=3 13169 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [1,1,0,0,0,0|1,0,0]=3 13170 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [1,1,0,0,0,0|1,0,0]=3 13171 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [1,1,0,0,0,0|1,0,0]=3 13172 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [1,1,0,0,0,0|1,0,0]=3 13173 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [1,1,0,0,0,0|1,0,0]=3 13174 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [1,1,0,0,0,0|1,0,0]=3 13175 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [1,1,0,0,0,0|1,0,0]=3 13176 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [1,1,0,0,0,0|1,0,0]=3 13177 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [1,1,0,0,0,0|1,0,0]=3 13178 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [1,1,0,0,0,0|1,0,0]=3 13179 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [1,1,0,0,0,0|1,0,0]=3 13180 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [1,1,0,0,0,0|1,0,0]=3 13181 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [1,1,0,0,0,0|1,0,0]=3 13182 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [1,1,0,0,0,0|1,0,0]=3 13183 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [1,1,0,0,0,0|2,0,0]=4 13184 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [1,1,0,0,0,0|2,0,0]=4 13185 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [1,1,0,0,0,0|2,0,0]=4 13186 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [1,1,0,0,0,0|2,0,0]=4 13187 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [1,1,0,0,0,0|2,0,0]=4 13188 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [1,1,0,0,0,0|2,0,0]=4 13189 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [1,1,0,0,0,0|2,0,0]=4 13190 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [1,1,0,0,0,0|2,0,0]=4 13191 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [1,1,0,0,0,0|2,0,0]=4 13192 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [1,1,0,0,0,0|2,0,0]=4 13193 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [1,1,0,0,0,0|2,0,0]=4 13194 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [1,1,0,0,0,0|2,0,0]=4 13195 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [1,1,0,0,0,0|2,0,0]=4 13196 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [1,1,0,0,0,0|2,0,0]=4 13197 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [1,1,0,0,0,0|2,0,0]=4 13198 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [1,1,0,0,0,0|2,0,0]=4 13199 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [1,1,0,0,0,0|2,0,0]=4 13200 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [1,1,0,0,0,0|2,0,0]=4 13201 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [1,1,0,0,0,0|2,0,0]=4 13202 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [1,1,0,0,0,0|2,0,0]=4 13203 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [1,1,0,0,0,0|2,0,0]=4 13204 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [1,1,0,0,0,0|2,0,0]=4 13205 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [1,1,0,0,0,0|2,0,0]=4 13206 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [1,1,0,0,0,0|2,0,0]=4 13207 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [1,1,0,0,0,0|2,0,0]=4 13208 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [1,1,0,0,0,0|2,0,0]=4 13209 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [1,1,0,0,0,0|2,0,0]=4 13210 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [1,1,0,0,0,0|2,0,0]=4 13211 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [1,1,0,0,0,0|1,0,0]=3 13212 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [1,1,0,0,0,0|1,0,0]=3 13213 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [1,1,0,0,0,0|1,0,0]=3 13214 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [1,1,0,0,0,0|1,0,0]=3 13215 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [1,1,0,0,0,0|1,0,0]=3 13216 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [1,1,0,0,0,0|1,0,0]=3 13217 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [1,1,0,0,0,0|1,0,0]=3 13218 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [1,1,0,0,0,0|1,0,0]=3 13219 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [1,1,0,0,0,0|1,0,0]=3 13220 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [1,1,0,0,0,0|1,0,0]=3 13221 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [1,1,0,0,0,0|1,0,0]=3 13222 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [1,1,0,0,0,0|1,0,0]=3 13223 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [1,1,0,0,0,0|1,0,0]=3 13224 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [1,1,0,0,0,0|1,0,0]=3 13225 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [1,1,0,0,0,0|1,0,0]=3 13226 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [1,1,0,0,0,0|1,0,0]=3 13227 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [1,1,0,0,0,0|2,0,0]=4 13228 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [1,1,0,0,0,0|2,0,0]=4 13229 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [1,1,0,0,0,0|2,0,0]=4 13230 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [1,1,0,0,0,0|2,0,0]=4 13231 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [1,1,0,0,0,0|2,0,0]=4 13232 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [1,1,0,0,0,0|2,0,0]=4 13233 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [1,1,0,0,0,0|2,0,0]=4 13234 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [1,1,0,0,0,0|2,0,0]=4 13235 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [1,1,0,0,0,0|2,0,0]=4 13236 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [1,1,0,0,0,0|2,0,0]=4 13237 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [1,1,0,0,0,0|2,0,0]=4 13238 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [1,1,0,0,0,0|2,0,0]=4 13239 B12R1.267 CCCOCc1ccncc1C 34a_100000210258_100020672809 [1,1,0,0,0,0|2,0,0]=4 13240 B12R1.267 CCCOCc1ccncc1C 34a_100011997032_100000210303 [1,1,0,0,0,0|2,0,0]=4 13241 B12R1.267 CCCOCc1ccncc1F 34a_100012172863_100000210303 [1,1,0,0,0,0|2,0,0]=4 13242 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [1,1,0,0,0,0|2,0,0]=4 13243 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [1,1,0,0,0,0|2,0,0]=4 13244 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [1,1,0,0,0,0|2,0,0]=4 13245 B12R1.267 CCCOCc1ncccc1Br 34a_100000210258_100025702911 [1,1,0,0,0,0|2,0,0]=4 13246 B12R1.267 CCCOCc1ncccc1Br 34a_100011996772_100000210303 [1,1,0,0,0,0|2,0,0]=4 13247 B12R1.267 CCCOCc1ncccc1C 34a_100000210258_100000696600 [1,1,0,0,0,0|2,0,0]=4 13248 B12R1.267 CCCOCc1ncccc1C 34a_100000698912_100000210303 [1,1,0,0,0,0|2,0,0]=4 13249 B12R1.267 CCCOCc1ncccc1Cl 34a_100012002383_100000210303 [1,1,0,0,0,0|2,0,0]=4 13250 B12R1.267 CCCOCc1ncccc1F 34a_100000210258_100000104219 [1,1,0,0,0,0|2,0,0]=4 13251 B12R1.267 CCCOCc1ncccc1F 34a_100011934865_100000210303 [1,1,0,0,0,0|2,0,0]=4 13252 B12R1.267 CCCOCc1ncccc1N 34a_114873767017_100000210303 [1,1,0,0,0,0|2,0,0]=4 13253 B12R1.267 CCCOCc1ncccc1O 34a_100000210258_200020655725 [1,1,0,0,0,0|2,0,0]=4 13254 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [1,1,0,0,0,0|1,0,0]=3 13255 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [1,1,0,0,0,0|1,0,0]=3 13256 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [1,1,0,0,0,0|1,0,0]=3 13257 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [1,1,0,0,0,0|1,0,0]=3 13258 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [1,1,0,0,0,0|1,0,0]=3 13259 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [1,1,0,0,0,0|1,0,0]=3 13260 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [1,1,0,0,0,0|1,0,0]=3 13261 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [1,1,0,0,0,0|1,0,0]=3 13262 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [1,1,0,0,0,0|1,0,0]=3 13263 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [1,1,0,0,0,0|1,0,0]=3 13264 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [1,1,0,0,0,0|1,0,0]=3 13265 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [1,1,0,0,0,0|2,0,0]=4 13266 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [1,1,0,0,0,0|2,0,0]=4 13267 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [1,1,0,0,0,0|2,0,0]=4 13268 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [1,1,0,0,0,0|2,0,0]=4 13269 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [1,1,0,0,0,0|2,0,0]=4 13270 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [1,1,0,0,0,0|2,0,0]=4 13271 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [1,1,0,0,0,0|2,0,0]=4 13272 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [1,1,0,0,0,0|2,0,0]=4 13273 B12R1.267 CCCSCc1ccncc1C 62a_100000210303_100020672808 [1,1,0,0,0,0|2,0,0]=4 13274 B12R1.267 CCCSCc1ccncc1C 62a_100020672808_100000210303 [1,1,0,0,0,0|2,0,0]=4 13275 B12R1.267 CCCSCc1ccncc1Cl 62a_100000210303_100000763264 [1,1,0,0,0,0|2,0,0]=4 13276 B12R1.267 CCCSCc1ccncc1Cl 62a_100000763264_100000210303 [1,1,0,0,0,0|2,0,0]=4 13277 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [1,1,0,0,0,0|2,0,0]=4 13278 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [1,1,0,0,0,0|2,0,0]=4 13279 B12R1.267 CCCSCc1ncccc1Br 62a_100000210303_100025702911 [1,1,0,0,0,0|2,0,0]=4 13280 B12R1.267 CCCSCc1ncccc1Br 62a_100025702911_100000210303 [1,1,0,0,0,0|2,0,0]=4 13281 B12R1.267 CCCSCc1ncccc1C 62a_100000210303_100000696600 [1,1,0,0,0,0|2,0,0]=4 13282 B12R1.267 CCCSCc1ncccc1C 62a_100000696600_100000210303 [1,1,0,0,0,0|2,0,0]=4 13283 B12R1.267 CCCSCc1ncccc1Cl 62a_100000099807_100000210303 [1,1,0,0,0,0|2,0,0]=4 13284 B12R1.267 CCCSCc1ncccc1Cl 62a_100000210303_100000099807 [1,1,0,0,0,0|2,0,0]=4 13285 B12R1.267 CCCSCc1ncccc1F 62a_100000104219_100000210303 [1,1,0,0,0,0|2,0,0]=4 13286 B12R1.267 CCCSCc1ncccc1F 62a_100000210303_100000104219 [1,1,0,0,0,0|2,0,0]=4 13287 B12R1.267 CCCSCc1ncccc1O 62a_100000210303_200020655725 [1,1,0,0,0,0|2,0,0]=4 13288 B12R1.267 CCCSCc1ncccc1O 62a_200020655725_100000210303 [1,1,0,0,0,0|2,0,0]=4 13289 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [1,1,0,0,0,0|1,0,0]=3 13290 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [1,1,0,0,0,0|1,0,0]=3 13291 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [1,1,0,0,0,0|1,0,0]=3 13292 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [1,1,0,0,0,0|1,0,0]=3 13293 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [1,1,0,0,0,0|1,0,0]=3 13294 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [1,1,0,0,0,0|1,0,0]=3 13295 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [1,1,0,0,0,0|1,0,0]=3 13296 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [1,1,0,0,0,0|1,0,0]=3 13297 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [1,1,0,0,0,0|1,0,0]=3 13298 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [1,1,0,0,0,0|1,0,0]=3 13299 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [1,1,0,0,0,0|1,0,0]=3 13300 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [1,1,0,0,0,0|1,0,0]=3 13301 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [1,1,0,0,0,0|1,0,0]=3 13302 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [1,1,0,0,0,0|1,0,0]=3 13303 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [1,1,0,0,0,0|2,0,0]=4 13304 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [1,1,0,0,0,0|1,0,0]=3 13305 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [1,1,0,0,0,0|1,0,0]=3 13306 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [1,1,0,0,0,0|1,0,0]=3 13307 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [1,1,0,0,0,0|1,0,0]=3 13308 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [1,1,0,0,0,0|1,0,0]=3 13309 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [1,1,0,0,0,0|1,0,0]=3 13310 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [1,1,0,0,0,0|1,0,0]=3 13311 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [1,1,0,0,0,0|1,0,0]=3 13312 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [1,1,0,0,0,0|1,0,0]=3 13313 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [1,1,0,0,0,0|1,0,0]=3 13314 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [1,1,0,0,0,0|1,0,0]=3 13315 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [1,1,0,0,0,0|1,0,0]=3 13316 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [1,1,0,0,0,0|1,0,0]=3 13317 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [1,1,0,0,0,0|1,0,0]=3 13318 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [1,1,0,0,0,0|1,0,0]=3 13319 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [1,1,0,0,0,0|1,0,0]=3 13320 B12R1.267 CCOCCc1ncccc1C 34a_100011997706_100000210202 [1,1,0,0,0,0|2,0,0]=4 13321 B12R1.267 CCOCCc1ncccc1C 7a_100011997706_100000210202 [1,1,0,0,0,0|2,0,0]=4 13322 B12R1.267 CCOCSc1ccccc1Br 62a_100000695589_100000739092 [1,1,0,0,0,0|2,0,0]=4 13323 B12R1.267 CCOCSc1ccccc1Br 62a_100000739092_100000695589 [1,1,0,0,0,0|2,0,0]=4 13324 B12R1.267 CCOCSc1ccccc1C 62a_100000210755_100000739092 [1,1,0,0,0,0|2,0,0]=4 13325 B12R1.267 CCOCSc1ccccc1C 62a_100000739092_100000210755 [1,1,0,0,0,0|2,0,0]=4 13326 B12R1.267 CCOCSc1ccccc1Cl 62a_100000739092_100000764095 [1,1,0,0,0,0|2,0,0]=4 13327 B12R1.267 CCOCSc1ccccc1Cl 62a_100000764095_100000739092 [1,1,0,0,0,0|2,0,0]=4 13328 B12R1.267 CCOCSc1ccccc1F 62a_100000739092_100011215700 [1,1,0,0,0,0|2,0,0]=4 13329 B12R1.267 CCOCSc1ccccc1F 62a_100011215700_100000739092 [1,1,0,0,0,0|2,0,0]=4 13330 B12R1.267 CCOCSc1ccccc1N 62a_100000210017_100000739092 [1,1,0,0,0,0|2,0,0]=4 13331 B12R1.267 CCOCSc1ccccc1N 62a_100000739092_100000210017 [1,1,0,0,0,0|2,0,0]=4 13332 B12R1.267 CCOCSc1ccccc1O 62a_100000739092_100000739446 [1,1,0,0,0,0|2,0,0]=4 13333 B12R1.267 CCOCSc1ccccc1O 62a_100000739446_100000739092 [1,1,0,0,0,0|2,0,0]=4 13334 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [1,1,0,0,0,0|1,0,0]=3 13335 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [1,1,0,0,0,0|1,0,0]=3 13336 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [1,1,0,0,0,0|1,0,0]=3 13337 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [1,1,0,0,0,0|1,0,0]=3 13338 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [1,1,0,0,0,0|1,0,0]=3 13339 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [1,1,0,0,0,0|1,0,0]=3 13340 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [1,1,0,0,0,0|1,0,0]=3 13341 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [1,1,0,0,0,0|1,0,0]=3 13342 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [1,1,0,0,0,0|1,0,0]=3 13343 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [1,1,0,0,0,0|1,0,0]=3 13344 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [1,1,0,0,0,0|1,0,0]=3 13345 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [1,1,0,0,0,0|1,0,0]=3 13346 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [1,1,0,0,0,0|1,0,0]=3 13347 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [1,1,0,0,0,0|1,0,0]=3 13348 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [1,1,0,0,0,0|1,0,0]=3 13349 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [1,1,0,0,0,0|2,0,0]=4 13350 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [1,1,0,0,0,0|2,0,0]=4 13351 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [1,1,0,0,0,0|2,0,0]=4 13352 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [1,1,0,0,0,0|2,0,0]=4 13353 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [1,1,0,0,0,0|2,0,0]=4 13354 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [1,1,0,0,0,0|2,0,0]=4 13355 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [1,1,0,0,0,0|2,0,0]=4 13356 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [1,1,0,0,0,0|2,0,0]=4 13357 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [1,1,0,0,0,0|2,0,0]=4 13358 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [1,1,0,0,0,0|2,0,0]=4 13359 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [1,1,0,0,0,0|2,0,0]=4 13360 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [1,1,0,0,0,0|2,0,0]=4 13361 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [1,1,0,0,0,0|2,0,0]=4 13362 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [1,1,0,0,0,0|2,0,0]=4 13363 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [1,1,0,0,0,0|2,0,0]=4 13364 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [1,1,0,0,0,0|2,0,0]=4 13365 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [1,1,0,0,0,0|2,0,0]=4 13366 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [1,1,0,0,0,0|1,0,0]=3 13367 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [1,1,0,0,0,0|1,0,0]=3 13368 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [1,1,0,0,0,0|1,0,0]=3 13369 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [1,1,0,0,0,0|1,0,0]=3 13370 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [1,1,0,0,0,0|1,0,0]=3 13371 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [1,1,0,0,0,0|1,0,0]=3 13372 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [1,1,0,0,0,0|1,0,0]=3 13373 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [1,1,0,0,0,0|2,0,0]=4 13374 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [1,1,0,0,0,0|2,0,0]=4 13375 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [1,1,0,0,0,0|2,0,0]=4 13376 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [1,1,0,0,0,0|2,0,0]=4 13377 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [1,1,0,0,0,0|2,0,0]=4 13378 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [1,1,0,0,0,0|2,0,0]=4 13379 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [1,1,0,0,0,0|2,0,0]=4 13380 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [1,1,0,0,0,0|2,0,0]=4 13381 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [1,1,0,0,0,0|2,0,0]=4 13382 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [1,1,0,0,0,0|2,0,0]=4 13383 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [1,1,0,0,0,0|2,0,0]=4 13384 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [1,1,0,0,0,0|2,0,0]=4 13385 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [1,1,0,0,0,0|2,0,0]=4 13386 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [1,1,0,0,0,0|2,0,0]=4 13387 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [1,1,0,0,0,0|2,0,0]=4 13388 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [1,1,0,0,0,0|2,0,0]=4 13389 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [1,1,0,0,0,0|2,0,0]=4 13390 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [1,1,0,0,0,0|2,0,0]=4 13391 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [1,1,0,0,0,0|2,0,0]=4 13392 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [1,1,0,0,0,0|2,0,0]=4 13393 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [1,1,0,0,0,0|2,0,0]=4 13394 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [1,1,0,0,0,0|2,0,0]=4 13395 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [1,1,0,0,0,0|2,0,0]=4 13396 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [1,1,0,0,0,0|2,0,0]=4 13397 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [1,1,0,0,0,0|2,0,0]=4 13398 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [1,1,0,0,0,0|2,0,0]=4 13399 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [1,1,0,0,0,0|2,0,0]=4 13400 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [1,1,0,0,0,0|2,0,0]=4 13401 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [1,1,0,0,0,0|2,0,0]=4 13402 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [1,1,0,0,0,0|2,0,0]=4 13403 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [1,1,0,0,0,0|2,0,0]=4 13404 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [1,1,0,0,0,0|2,0,0]=4 13405 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [1,1,0,0,0,0|2,0,0]=4 13406 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [1,1,0,0,0,0|2,0,0]=4 13407 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [1,1,0,0,0,0|2,0,0]=4 13408 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [1,1,0,0,0,0|2,0,0]=4 13409 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [1,1,0,0,0,0|2,0,0]=4 13410 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [1,1,0,0,0,0|2,0,0]=4 13411 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [1,1,0,0,0,0|2,0,0]=4 13412 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [1,1,0,0,0,0|2,0,0]=4 13413 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [1,1,0,0,0,0|2,0,0]=4 13414 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [1,1,0,0,0,0|2,0,0]=4 13415 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [1,1,0,0,0,0|2,0,0]=4 13416 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [1,1,0,0,0,0|2,0,0]=4 13417 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [1,1,0,0,0,0|2,0,0]=4 13418 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [1,1,0,0,0,0|2,0,0]=4 13419 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [1,1,0,0,0,0|2,0,0]=4 13420 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [1,1,0,0,0,0|2,0,0]=4 13421 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [1,1,0,0,0,0|2,0,0]=4 13422 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [1,1,0,0,0,0|2,0,0]=4 13423 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [1,1,0,0,0,0|2,0,0]=4 13424 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [1,1,0,0,0,0|2,0,0]=4 13425 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [1,1,0,0,0,0|2,0,0]=4 13426 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [1,1,0,0,0,0|2,0,0]=4 13427 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [1,1,0,0,0,0|2,0,0]=4 13428 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [1,1,0,0,0,0|2,0,0]=4 13429 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [1,1,0,0,0,0|2,0,0]=4 13430 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [1,1,0,0,0,0|2,0,0]=4 13431 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [1,1,0,0,0,0|2,0,0]=4 13432 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [1,1,0,0,0,0|2,0,0]=4 13433 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [1,1,0,0,0,0|2,0,0]=4 13434 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [1,1,0,0,0,0|2,0,0]=4 13435 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [1,1,0,0,0,0|1,0,0]=3 13436 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [1,1,0,0,0,0|1,0,0]=3 13437 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [1,1,0,0,0,0|2,0,0]=4 13438 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [1,1,0,0,0,0|2,0,0]=4 13439 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [1,1,0,0,0,0|2,0,0]=4 13440 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [1,1,0,0,0,0|2,0,0]=4 13441 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [1,1,0,0,0,0|2,0,0]=4 13442 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [1,1,0,0,0,0|2,0,0]=4 13443 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [1,1,0,0,0,0|2,0,0]=4 13444 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [1,1,0,0,0,0|2,0,0]=4 13445 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [1,1,0,0,0,0|2,0,0]=4 13446 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [1,1,0,0,0,0|2,0,0]=4 13447 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [1,1,0,0,0,0|2,0,0]=4 13448 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [1,1,0,0,0,0|2,0,0]=4 13449 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [1,1,0,0,0,0|2,0,0]=4 13450 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [1,1,0,0,0,0|2,0,0]=4 13451 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [1,1,0,0,0,0|2,0,0]=4 13452 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [1,1,0,0,0,0|2,0,0]=4 13453 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [1,1,0,0,0,0|2,0,0]=4 13454 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [1,1,0,0,0,0|2,0,0]=4 13455 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [1,1,0,0,0,0|2,0,0]=4 13456 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [1,1,0,0,0,0|2,0,0]=4 13457 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [1,1,0,0,0,0|2,0,0]=4 13458 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [1,1,0,0,0,0|2,0,0]=4 13459 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [1,1,0,0,0,0|2,0,0]=4 13460 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [1,1,0,0,0,0|2,0,0]=4 13461 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [1,1,0,0,0,0|2,0,0]=4 13462 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [1,1,0,0,0,0|2,0,0]=4 13463 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [1,1,0,0,0,0|2,0,0]=4 13464 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [1,1,0,0,0,0|2,0,0]=4 13465 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [1,1,0,0,0,0|2,0,0]=4 13466 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [1,1,0,0,0,0|2,0,0]=4 13467 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [1,1,0,0,0,0|2,0,0]=4 13468 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [1,1,0,0,0,0|2,0,0]=4 13469 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [1,1,0,0,0,0|2,0,0]=4 13470 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [1,1,0,0,0,0|2,0,0]=4 13471 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [1,1,0,0,0,0|2,0,0]=4 13472 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [1,1,0,0,0,0|2,0,0]=4 13473 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [1,1,0,0,0,0|2,0,0]=4 13474 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [1,1,0,0,0,0|2,0,0]=4 13475 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [1,1,0,0,0,0|2,0,0]=4 13476 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [1,1,0,0,0,0|2,0,0]=4 13477 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [1,1,0,0,0,0|2,0,0]=4 13478 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [1,1,0,0,0,0|2,0,0]=4 13479 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [1,1,0,0,0,0|2,0,0]=4 13480 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [1,1,0,0,0,0|2,0,0]=4 13481 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [1,1,0,0,0,0|2,0,0]=4 13482 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [1,1,0,0,0,0|2,0,0]=4 13483 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [1,1,0,0,0,0|2,0,0]=4 13484 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [1,1,0,0,0,0|2,0,0]=4 13485 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [1,1,0,0,0,0|2,0,0]=4 13486 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [1,1,0,0,0,0|2,0,0]=4 13487 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [1,1,0,0,0,0|2,0,0]=4 13488 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [1,1,0,0,0,0|2,0,0]=4 13489 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [1,1,0,0,0,0|2,0,0]=4 13490 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [1,1,0,0,0,0|2,0,0]=4 13491 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [1,1,0,0,0,0|2,0,0]=4 13492 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [1,1,0,0,0,0|2,0,0]=4 13493 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [1,1,0,0,0,0|2,0,0]=4 13494 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [1,1,0,0,0,0|2,0,0]=4 13495 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [1,1,0,0,0,0|2,0,0]=4 13496 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [1,1,0,0,0,0|2,0,0]=4 13497 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [1,1,0,0,0,0|2,0,0]=4 13498 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [1,1,0,0,0,0|2,0,0]=4 13499 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [1,1,0,0,0,0|2,0,0]=4 13500 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [1,1,0,0,0,0|2,0,0]=4 13501 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [1,1,0,0,0,0|2,0,0]=4 13502 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [1,1,0,0,0,0|2,0,0]=4 13503 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [1,1,0,0,0,0|2,0,0]=4 13504 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [1,1,0,0,0,0|1,0,0]=3 13505 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [1,1,0,0,0,0|1,0,0]=3 13506 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [1,1,0,0,0,0|1,0,0]=3 13507 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [1,1,0,0,0,0|1,0,0]=3 13508 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [1,1,0,0,0,0|1,0,0]=3 13509 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [1,1,0,0,0,0|2,0,0]=4 13510 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [1,1,0,0,0,0|2,0,0]=4 13511 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [1,1,0,0,0,0|2,0,0]=4 13512 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [1,1,0,0,0,0|2,0,0]=4 13513 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [1,1,0,0,0,0|1,0,0]=3 13514 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [1,1,0,0,0,0|1,0,0]=3 13515 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [1,1,0,0,0,0|2,0,0]=4 13516 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [1,1,0,0,0,0|2,0,0]=4 13517 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [1,1,0,0,0,0|1,0,0]=3 13518 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [1,1,0,0,0,0|1,0,0]=3 13519 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [1,1,0,0,0,0|2,0,0]=4 13520 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [1,1,0,0,0,0|1,0,0]=3 13521 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [1,1,0,0,0,0|2,0,0]=4 13522 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [1,1,0,0,0,0|2,0,0]=4 13523 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [1,1,0,0,0,0|2,0,0]=4 13524 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [1,1,0,0,0,0|1,0,0]=3 13525 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [1,1,0,0,0,0|1,0,0]=3 13526 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [1,1,0,0,0,0|2,0,0]=4 13527 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [1,1,0,0,0,0|2,0,0]=4 13528 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [1,1,0,0,0,0|2,0,0]=4 13529 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [1,1,0,0,0,0|2,0,0]=4 13530 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [1,1,0,0,0,0|2,0,0]=4 13531 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [1,1,0,0,0,0|2,0,0]=4 13532 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [1,1,0,0,0,0|1,0,0]=3 13533 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [1,1,0,0,0,0|1,0,0]=3 13534 B12R1.267 Cc1cccnc1CNCCO 207a_100000210304_100000698913 [1,1,0,0,0,0|2,0,0]=4 13535 B12R1.267 Cc1cccnc1CNCCO 2230a_100016997473_100000696600 [1,1,0,0,0,0|2,0,0]=4 13536 B12R1.267 Cc1cccnc1CNCCO 270004a_100000210304_100000698913 [1,1,0,0,0,0|2,0,0]=4 13537 B12R1.267 Cc1cccnc1CNCCO 34a_100011223789_100000211926 [1,1,0,0,0,0|2,0,0]=4 13538 B12R1.267 Cc1cccnc1CNCCO 34a_100016990907_100000696600 [1,1,0,0,0,0|2,0,0]=4 13539 B12R1.267 Cc1cccnc1COCCO 34a_100000698912_100000211926 [1,1,0,0,0,0|2,0,0]=4 13540 B12R1.267 Cc1cccnc1CSCCO 62a_100000211926_100000696600 [1,1,0,0,0,0|2,0,0]=4 13541 B12R1.267 Cc1cccnc1CSCCO 62a_100000696600_100000211926 [1,1,0,0,0,0|2,0,0]=4 13542 B12R1.267 Cc1cccnc1SCCCO 62a_100000751373_100011215043 [1,1,0,0,0,0|2,0,0]=4 13543 B12R1.267 Cc1cccnc1SCCCO 62a_100011215043_100000751373 [1,1,0,0,0,0|2,0,0]=4 13544 B12R1.267 Cc1ccncc1CNCCO 207a_100000210304_100000685662 [1,1,0,0,0,0|2,0,0]=4 13545 B12R1.267 Cc1ccncc1CNCCO 2230a_100016997473_100000690890 [1,1,0,0,0,0|2,0,0]=4 13546 B12R1.267 Cc1ccncc1CNCCO 270004a_100000210304_100000685662 [1,1,0,0,0,0|2,0,0]=4 13547 B12R1.267 Cc1ccncc1CNCCO 34a_100016990907_100000690890 [1,1,0,0,0,0|2,0,0]=4 13548 B12R1.267 Cc1ccncc1COCCO 34a_100011996381_100000211926 [1,1,0,0,0,0|2,0,0]=4 13549 B12R1.267 Cc1ccncc1CSCCO 62a_100000211926_100000690890 [1,1,0,0,0,0|2,0,0]=4 13550 B12R1.267 Cc1ccncc1CSCCO 62a_100000690890_100000211926 [1,1,0,0,0,0|2,0,0]=4 13551 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [1,1,0,0,0,0|2,0,0]=4 13552 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [1,1,0,0,0,0|2,0,0]=4 13553 B12R1.267 Cc1ccncc1SCCCO 62a_100000761580_100011215043 [1,1,0,0,0,0|2,0,0]=4 13554 B12R1.267 Cc1ccncc1SCCCO 62a_100011215043_100000761580 [1,1,0,0,0,0|2,0,0]=4 13555 B12R1.267 Cc1cnccc1CNCCO 2230a_100016997473_100020672808 [1,1,0,0,0,0|2,0,0]=4 13556 B12R1.267 Cc1cnccc1CNCCO 34a_100016990907_100020672809 [1,1,0,0,0,0|2,0,0]=4 13557 B12R1.267 Cc1cnccc1COCCO 34a_100011997032_100000211926 [1,1,0,0,0,0|2,0,0]=4 13558 B12R1.267 Cc1cnccc1CSCCO 62a_100000211926_100020672808 [1,1,0,0,0,0|2,0,0]=4 13559 B12R1.267 Cc1cnccc1CSCCO 62a_100020672808_100000211926 [1,1,0,0,0,0|2,0,0]=4 13560 B12R1.267 Cc1cnccc1NCCCO 27a_100000182051_100000765111 [1,1,0,0,0,0|2,0,0]=4 13561 B12R1.267 Cc1cnccc1OCCCO 34a_100000694293_100000230001 [1,1,0,0,0,0|2,0,0]=4 13562 B12R1.267 Cc1cnccc1SCCCO 62a_100000765111_100011215043 [1,1,0,0,0,0|2,0,0]=4 13563 B12R1.267 Cc1cnccc1SCCCO 62a_100011215043_100000765111 [1,1,0,0,0,0|2,0,0]=4 13564 B12R1.267 Cc1ncccc1CNCCO 207a_100000210304_100000751968 [1,1,0,0,0,0|2,0,0]=4 13565 B12R1.267 Cc1ncccc1CNCCO 2230a_100016997473_100000732876 [1,1,0,0,0,0|2,0,0]=4 13566 B12R1.267 Cc1ncccc1CNCCO 270004a_100000210304_100000751968 [1,1,0,0,0,0|2,0,0]=4 13567 B12R1.267 Cc1ncccc1CNCCO 34a_100016990907_100000732876 [1,1,0,0,0,0|2,0,0]=4 13568 B12R1.267 Cc1ncccc1COCCO 34a_100000729262_100000211926 [1,1,0,0,0,0|2,0,0]=4 13569 B12R1.267 Cc1ncccc1COCCO 7a_100000729262_100000211926 [1,1,0,0,0,0|2,0,0]=4 13570 B12R1.267 Cc1ncccc1CSCCO 62a_100000211926_100000732876 [1,1,0,0,0,0|2,0,0]=4 13571 B12R1.267 Cc1ncccc1CSCCO 62a_100000732876_100000211926 [1,1,0,0,0,0|2,0,0]=4 13572 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [1,1,0,0,0,0|2,0,0]=4 13573 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [1,1,0,0,0,0|2,0,0]=4 13574 B12R1.267 Cc1ncccc1SCCCO 62a_100000751574_100011215043 [1,1,0,0,0,0|2,0,0]=4 13575 B12R1.267 Cc1ncccc1SCCCO 62a_100011215043_100000751574 [1,1,0,0,0,0|2,0,0]=4 13576 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [1,1,0,0,0,0|2,0,0]=4 13577 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [1,1,0,0,0,0|2,0,0]=4 13578 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [1,1,0,0,0,0|2,0,0]=4 13579 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [1,1,0,0,0,0|2,0,0]=4 13580 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [1,1,0,0,0,0|2,0,0]=4 13581 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [1,1,0,0,0,0|2,0,0]=4 13582 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [1,1,0,0,0,0|2,0,0]=4 13583 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [1,1,0,0,0,0|2,0,0]=4 13584 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [1,1,0,0,0,0|2,0,0]=4 13585 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [1,1,0,0,0,0|2,0,0]=4 13586 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [1,1,0,0,0,0|2,0,0]=4 13587 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [1,1,0,0,0,0|2,0,0]=4 13588 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [1,1,0,0,0,0|2,0,0]=4 13589 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [1,1,0,0,0,0|2,0,0]=4 13590 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [1,1,0,0,0,0|2,0,0]=4 13591 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [1,1,0,0,0,0|2,0,0]=4 13592 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [1,1,0,0,0,0|2,0,0]=4 13593 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [1,1,0,0,0,0|2,0,0]=4 13594 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [1,1,0,0,0,0|2,0,0]=4 13595 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [1,1,0,0,0,0|2,0,0]=4 13596 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [1,1,0,0,0,0|2,0,0]=4 13597 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [1,1,0,0,0,0|2,0,0]=4 13598 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [1,1,0,0,0,0|2,0,0]=4 13599 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [1,1,0,0,0,0|2,0,0]=4 13600 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [1,1,0,0,0,0|2,0,0]=4 13601 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [1,1,0,0,0,0|2,0,0]=4 13602 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [1,1,0,0,0,0|2,0,0]=4 13603 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [1,1,0,0,0,0|2,0,0]=4 13604 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [1,1,0,0,0,0|2,0,0]=4 13605 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [1,1,0,0,0,0|2,0,0]=4 13606 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [1,1,0,0,0,0|2,0,0]=4 13607 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [1,1,0,0,0,0|2,0,0]=4 13608 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [1,1,0,0,0,0|2,0,0]=4 13609 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [1,1,0,0,0,0|2,0,0]=4 13610 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [1,1,0,0,0,0|2,0,0]=4 13611 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [1,1,0,0,0,0|2,0,0]=4 13612 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [1,1,0,0,0,0|2,0,0]=4 13613 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [1,1,0,0,0,0|2,0,0]=4 13614 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [1,1,0,0,0,0|2,0,0]=4 13615 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [1,1,0,0,0,0|2,0,0]=4 13616 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [1,1,0,0,0,0|2,0,0]=4 13617 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [1,1,0,0,0,0|2,0,0]=4 13618 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [1,1,0,0,0,0|2,0,0]=4 13619 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [1,1,0,0,0,0|2,0,0]=4 13620 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [1,1,0,0,0,0|2,0,0]=4 13621 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [1,1,0,0,0,0|2,0,0]=4 13622 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [1,1,0,0,0,0|2,0,0]=4 13623 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [1,1,0,0,0,0|2,0,0]=4 13624 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [1,1,0,0,0,0|2,0,0]=4 13625 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [1,1,0,0,0,0|2,0,0]=4 13626 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [1,1,0,0,0,0|2,0,0]=4 13627 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [1,1,0,0,0,0|2,0,0]=4 13628 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [1,1,0,0,0,0|2,0,0]=4 13629 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [1,1,0,0,0,0|2,0,0]=4 13630 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [1,1,0,0,0,0|2,0,0]=4 13631 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [1,1,0,0,0,0|2,0,0]=4 13632 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [1,1,0,0,0,0|2,0,0]=4 13633 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [1,1,0,0,0,0|2,0,0]=4 13634 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [1,1,0,0,0,0|2,0,0]=4 13635 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [1,1,0,0,0,0|2,0,0]=4 13636 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [1,1,0,0,0,0|2,0,0]=4 13637 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [1,1,0,0,0,0|2,0,0]=4 13638 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [1,1,0,0,0,0|2,0,0]=4 13639 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [1,1,0,0,0,0|2,0,0]=4 13640 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [1,1,0,0,0,0|2,0,0]=4 13641 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [1,1,0,0,0,0|2,0,0]=4 13642 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [1,1,0,0,0,0|2,0,0]=4 13643 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [1,1,0,0,0,0|2,0,0]=4 13644 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [1,1,0,0,0,0|1,0,0]=3 13645 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [1,1,0,0,0,0|2,0,0]=4 13646 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [1,1,0,0,0,0|2,0,0]=4 13647 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [1,1,0,0,0,0|1,0,0]=3 13648 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [1,1,0,0,0,0|1,0,0]=3 13649 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [1,1,0,0,0,0|2,0,0]=4 13650 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [1,1,0,0,0,0|2,0,0]=4 13651 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [1,1,0,0,0,0|1,0,0]=3 13652 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [1,1,0,0,0,0|1,0,0]=3 13653 B12R1.267 Nc1cccnc1COCCO 34a_114873767017_100000211926 [1,1,0,0,0,0|2,0,0]=4 13654 B12R1.267 Nc1cccnc1OCCCO 34a_100000746358_100000230001 [1,1,0,0,0,0|2,0,0]=4 13655 B12R1.267 Nc1cccnc1SCCCO 62a_100000688686_100011215043 [1,1,0,0,0,0|2,0,0]=4 13656 B12R1.267 Nc1cccnc1SCCCO 62a_100011215043_100000688686 [1,1,0,0,0,0|2,0,0]=4 13657 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [1,1,0,0,0,0|2,0,0]=4 13658 B12R1.267 Nc1ccncc1SCCCO 62a_100000047001_100011215043 [1,1,0,0,0,0|2,0,0]=4 13659 B12R1.267 Nc1ccncc1SCCCO 62a_100011215043_100000047001 [1,1,0,0,0,0|2,0,0]=4 13660 B12R1.267 Nc1cnccc1SCCCO 62a_100000756074_100011215043 [1,1,0,0,0,0|2,0,0]=4 13661 B12R1.267 Nc1cnccc1SCCCO 62a_100011215043_100000756074 [1,1,0,0,0,0|2,0,0]=4 13662 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [1,1,0,0,0,0|2,0,0]=4 13663 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [1,1,0,0,0,0|2,0,0]=4 13664 B12R1.267 Nc1ncccc1SCCCO 62a_100000045569_100011215043 [1,1,0,0,0,0|2,0,0]=4 13665 B12R1.267 Nc1ncccc1SCCCO 62a_100011215043_100000045569 [1,1,0,0,0,0|2,0,0]=4 13666 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100009998708_100011215043 [1,1,0,0,0,0|2,0,0]=4 13667 B12R1.267 O=c1cc[nH]cc1SCCCO 62a_100011215043_100009998708 [1,1,0,0,0,0|2,0,0]=4 13668 B12R1.267 O=c1ccocc1OCCCO 34a_100000060831_100000230001 [1,1,0,0,0,0|2,0,0]=4 13669 B12R1.267 O=c1occcc1OCCCO 34a_100000077404_100000230001 [1,1,0,0,0,0|2,0,0]=4 13670 B12R1.267 O=c1occcc1OCCCO 7a_100000077404_100011215043 [1,1,0,0,0,0|2,0,0]=4 13671 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [1,1,0,0,0,0|0,0,0]=2 13672 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [1,1,0,0,0,0|1,0,0]=3 13673 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [1,1,0,0,0,0|1,0,0]=3 13674 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [1,1,0,0,0,0|1,0,0]=3 13675 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [1,1,0,0,0,0|1,0,0]=3 13676 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [1,1,0,0,0,0|1,0,0]=3 13677 B12R1.267 OCCCNc1ccncc1Br 27a_100000182051_100000726257 [1,1,0,0,0,0|2,0,0]=4 13678 B12R1.267 OCCCNc1ccncc1F 27a_100000182051_100000035921 [1,1,0,0,0,0|2,0,0]=4 13679 B12R1.267 OCCCNc1ncccc1Br 27a_100000182051_100000696092 [1,1,0,0,0,0|2,0,0]=4 13680 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [1,1,0,0,0,0|1,0,0]=3 13681 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [1,1,0,0,0,0|1,0,0]=3 13682 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [1,1,0,0,0,0|1,0,0]=3 13683 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [1,1,0,0,0,0|1,0,0]=3 13684 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [1,1,0,0,0,0|1,0,0]=3 13685 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [1,1,0,0,0,0|1,0,0]=3 13686 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [1,1,0,0,0,0|1,0,0]=3 13687 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [1,1,0,0,0,0|1,0,0]=3 13688 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [1,1,0,0,0,0|2,0,0]=4 13689 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [1,1,0,0,0,0|2,0,0]=4 13690 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [1,1,0,0,0,0|2,0,0]=4 13691 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [1,1,0,0,0,0|2,0,0]=4 13692 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [1,1,0,0,0,0|2,0,0]=4 13693 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [1,1,0,0,0,0|2,0,0]=4 13694 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [1,1,0,0,0,0|2,0,0]=4 13695 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [1,1,0,0,0,0|2,0,0]=4 13696 B12R1.267 OCCCOc1ccncc1Br 34a_100011996408_100000230001 [1,1,0,0,0,0|2,0,0]=4 13697 B12R1.267 OCCCOc1ccncc1Cl 34a_100011997054_100000230001 [1,1,0,0,0,0|2,0,0]=4 13698 B12R1.267 OCCCOc1ccncc1F 34a_200000081243_100000230001 [1,1,0,0,0,0|2,0,0]=4 13699 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [1,1,0,0,0,0|2,0,0]=4 13700 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [1,1,0,0,0,0|2,0,0]=4 13701 B12R1.267 OCCCOc1ncccc1Cl 34a_100011290957_100000230001 [1,1,0,0,0,0|2,0,0]=4 13702 B12R1.267 OCCCOc1ncccc1F 34a_100011219419_100000230001 [1,1,0,0,0,0|2,0,0]=4 13703 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_100011215043_200012280681 [1,1,0,0,0,0|2,0,0]=4 13704 B12R1.267 OCCCSc1c[nH]ccc1=S 62a_200012280681_100011215043 [1,1,0,0,0,0|2,0,0]=4 13705 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [1,1,0,0,0,0|1,0,0]=3 13706 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [1,1,0,0,0,0|1,0,0]=3 13707 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [1,1,0,0,0,0|1,0,0]=3 13708 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [1,1,0,0,0,0|1,0,0]=3 13709 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [1,1,0,0,0,0|1,0,0]=3 13710 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [1,1,0,0,0,0|1,0,0]=3 13711 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [1,1,0,0,0,0|1,0,0]=3 13712 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [1,1,0,0,0,0|1,0,0]=3 13713 B12R1.267 OCCCSc1cccnc1Br 62a_100010202626_100011215043 [1,1,0,0,0,0|2,0,0]=4 13714 B12R1.267 OCCCSc1cccnc1Br 62a_100011215043_100010202626 [1,1,0,0,0,0|2,0,0]=4 13715 B12R1.267 OCCCSc1cccnc1Cl 62a_100000036424_100011215043 [1,1,0,0,0,0|2,0,0]=4 13716 B12R1.267 OCCCSc1cccnc1Cl 62a_100011215043_100000036424 [1,1,0,0,0,0|2,0,0]=4 13717 B12R1.267 OCCCSc1cccnc1F 62a_100009816115_100011215043 [1,1,0,0,0,0|2,0,0]=4 13718 B12R1.267 OCCCSc1cccnc1F 62a_100011215043_100009816115 [1,1,0,0,0,0|2,0,0]=4 13719 B12R1.267 OCCCSc1cccnc1O 62a_100000760158_100011215043 [1,1,0,0,0,0|2,0,0]=4 13720 B12R1.267 OCCCSc1cccnc1O 62a_100011215043_100000760158 [1,1,0,0,0,0|2,0,0]=4 13721 B12R1.267 OCCCSc1ccncc1Br 62a_100000726257_100011215043 [1,1,0,0,0,0|2,0,0]=4 13722 B12R1.267 OCCCSc1ccncc1Br 62a_100011215043_100000726257 [1,1,0,0,0,0|2,0,0]=4 13723 B12R1.267 OCCCSc1ccncc1Cl 62a_100000708259_100011215043 [1,1,0,0,0,0|2,0,0]=4 13724 B12R1.267 OCCCSc1ccncc1Cl 62a_100011215043_100000708259 [1,1,0,0,0,0|2,0,0]=4 13725 B12R1.267 OCCCSc1ccncc1F 62a_100000047030_100011215043 [1,1,0,0,0,0|2,0,0]=4 13726 B12R1.267 OCCCSc1ccncc1F 62a_100011215043_100000047030 [1,1,0,0,0,0|2,0,0]=4 13727 B12R1.267 OCCCSc1ccncc1O 62a_100009817591_100011215043 [1,1,0,0,0,0|2,0,0]=4 13728 B12R1.267 OCCCSc1ccncc1O 62a_100011215043_100009817591 [1,1,0,0,0,0|2,0,0]=4 13729 B12R1.267 OCCCSc1cnccc1Br 62a_100010138639_100011215043 [1,1,0,0,0,0|2,0,0]=4 13730 B12R1.267 OCCCSc1cnccc1Br 62a_100011215043_100010138639 [1,1,0,0,0,0|2,0,0]=4 13731 B12R1.267 OCCCSc1cnccc1Cl 62a_100009995489_100011215043 [1,1,0,0,0,0|2,0,0]=4 13732 B12R1.267 OCCCSc1cnccc1Cl 62a_100011215043_100009995489 [1,1,0,0,0,0|2,0,0]=4 13733 B12R1.267 OCCCSc1cnccc1F 62a_100009820683_100011215043 [1,1,0,0,0,0|2,0,0]=4 13734 B12R1.267 OCCCSc1cnccc1F 62a_100011215043_100009820683 [1,1,0,0,0,0|2,0,0]=4 13735 B12R1.267 OCCCSc1ncccc1Br 62a_100000696092_100011215043 [1,1,0,0,0,0|2,0,0]=4 13736 B12R1.267 OCCCSc1ncccc1Br 62a_100011215043_100000696092 [1,1,0,0,0,0|2,0,0]=4 13737 B12R1.267 OCCCSc1ncccc1Cl 62a_100011215043_100011356963 [1,1,0,0,0,0|2,0,0]=4 13738 B12R1.267 OCCCSc1ncccc1Cl 62a_100011356963_100011215043 [1,1,0,0,0,0|2,0,0]=4 13739 B12R1.267 OCCCSc1ncccc1F 62a_100000685392_100011215043 [1,1,0,0,0,0|2,0,0]=4 13740 B12R1.267 OCCCSc1ncccc1F 62a_100011215043_100000685392 [1,1,0,0,0,0|2,0,0]=4 13741 B12R1.267 OCCCSc1ncccc1O 62a_100000034122_100011215043 [1,1,0,0,0,0|2,0,0]=4 13742 B12R1.267 OCCCSc1ncccc1O 62a_100011215043_100000034122 [1,1,0,0,0,0|2,0,0]=4 13743 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [1,1,0,0,0,0|1,0,0]=3 13744 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [1,1,0,0,0,0|1,0,0]=3 13745 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [1,1,0,0,0,0|1,0,0]=3 13746 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [1,1,0,0,0,0|1,0,0]=3 13747 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [1,1,0,0,0,0|1,0,0]=3 13748 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [1,1,0,0,0,0|1,0,0]=3 13749 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [1,1,0,0,0,0|1,0,0]=3 13750 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [1,1,0,0,0,0|1,0,0]=3 13751 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [1,1,0,0,0,0|1,0,0]=3 13752 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [1,1,0,0,0,0|1,0,0]=3 13753 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [1,1,0,0,0,0|1,0,0]=3 13754 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [1,1,0,0,0,0|1,0,0]=3 13755 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [1,1,0,0,0,0|1,0,0]=3 13756 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [1,1,0,0,0,0|1,0,0]=3 13757 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [1,1,0,0,0,0|1,0,0]=3 13758 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [1,1,0,0,0,0|1,0,0]=3 13759 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [1,1,0,0,0,0|1,0,0]=3 13760 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [1,1,0,0,0,0|1,0,0]=3 13761 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [1,1,0,0,0,0|1,0,0]=3 13762 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [1,1,0,0,0,0|1,0,0]=3 13763 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [1,1,0,0,0,0|1,0,0]=3 13764 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [1,1,0,0,0,0|1,0,0]=3 13765 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [1,1,0,0,0,0|1,0,0]=3 13766 B12R1.267 OCCNCc1cccnc1Br 2230a_100009818023_100000211926 [1,1,0,0,0,0|2,0,0]=4 13767 B12R1.267 OCCNCc1cccnc1Br 2230a_100016997473_100010140945 [1,1,0,0,0,0|2,0,0]=4 13768 B12R1.267 OCCNCc1cccnc1Br 34a_100009818023_100000211926 [1,1,0,0,0,0|2,0,0]=4 13769 B12R1.267 OCCNCc1cccnc1Br 34a_100016990907_100010140945 [1,1,0,0,0,0|2,0,0]=4 13770 B12R1.267 OCCNCc1cccnc1Cl 2230a_100015189234_100000211926 [1,1,0,0,0,0|2,0,0]=4 13771 B12R1.267 OCCNCc1cccnc1Cl 2230a_100016997473_100000045678 [1,1,0,0,0,0|2,0,0]=4 13772 B12R1.267 OCCNCc1cccnc1Cl 34a_100015189234_100000211926 [1,1,0,0,0,0|2,0,0]=4 13773 B12R1.267 OCCNCc1cccnc1Cl 34a_100016990907_100000045678 [1,1,0,0,0,0|2,0,0]=4 13774 B12R1.267 OCCNCc1cccnc1F 2230a_100016997473_100000099810 [1,1,0,0,0,0|2,0,0]=4 13775 B12R1.267 OCCNCc1cccnc1F 34a_100000724633_100000211926 [1,1,0,0,0,0|2,0,0]=4 13776 B12R1.267 OCCNCc1cccnc1F 34a_100016990907_100000099810 [1,1,0,0,0,0|2,0,0]=4 13777 B12R1.267 OCCNCc1cccnc1O 207a_100000210304_100011998315 [1,1,0,0,0,0|2,0,0]=4 13778 B12R1.267 OCCNCc1cccnc1O 270004a_100000210304_100011998315 [1,1,0,0,0,0|2,0,0]=4 13779 B12R1.267 OCCNCc1ccncc1Br 270004a_100000210304_100000755692 [1,1,0,0,0,0|2,0,0]=4 13780 B12R1.267 OCCNCc1ccncc1Cl 207a_100000210304_100011934409 [1,1,0,0,0,0|2,0,0]=4 13781 B12R1.267 OCCNCc1ccncc1Cl 2230a_100016997473_100000763264 [1,1,0,0,0,0|2,0,0]=4 13782 B12R1.267 OCCNCc1ccncc1Cl 270004a_100000210304_100011934409 [1,1,0,0,0,0|2,0,0]=4 13783 B12R1.267 OCCNCc1ccncc1F 34a_100011935246_100000211926 [1,1,0,0,0,0|2,0,0]=4 13784 B12R1.267 OCCNCc1cnccc1Br 270004a_100000210304_100009816821 [1,1,0,0,0,0|2,0,0]=4 13785 B12R1.267 OCCNCc1cnccc1Cl 270004a_100000210304_100000050567 [1,1,0,0,0,0|2,0,0]=4 13786 B12R1.267 OCCNCc1ncccc1Br 207a_100000210304_100011934733 [1,1,0,0,0,0|2,0,0]=4 13787 B12R1.267 OCCNCc1ncccc1Br 2230a_100016997473_100025702911 [1,1,0,0,0,0|2,0,0]=4 13788 B12R1.267 OCCNCc1ncccc1Br 270004a_100000210304_100011934733 [1,1,0,0,0,0|2,0,0]=4 13789 B12R1.267 OCCNCc1ncccc1Br 34a_100016990907_100025702911 [1,1,0,0,0,0|2,0,0]=4 13790 B12R1.267 OCCNCc1ncccc1Cl 207a_100000210304_100012001307 [1,1,0,0,0,0|2,0,0]=4 13791 B12R1.267 OCCNCc1ncccc1Cl 2230a_100015189233_100000211926 [1,1,0,0,0,0|2,0,0]=4 13792 B12R1.267 OCCNCc1ncccc1Cl 2230a_100016997473_100000099807 [1,1,0,0,0,0|2,0,0]=4 13793 B12R1.267 OCCNCc1ncccc1Cl 270004a_100000210304_100012001307 [1,1,0,0,0,0|2,0,0]=4 13794 B12R1.267 OCCNCc1ncccc1F 207a_100000210304_100011934734 [1,1,0,0,0,0|2,0,0]=4 13795 B12R1.267 OCCNCc1ncccc1F 2230a_100016997473_100000104219 [1,1,0,0,0,0|2,0,0]=4 13796 B12R1.267 OCCNCc1ncccc1F 270004a_100000210304_100011934734 [1,1,0,0,0,0|2,0,0]=4 13797 B12R1.267 OCCNCc1ncccc1F 34a_100000690088_100000211926 [1,1,0,0,0,0|2,0,0]=4 13798 B12R1.267 OCCNCc1ncccc1F 34a_100016990907_100000104219 [1,1,0,0,0,0|2,0,0]=4 13799 B12R1.267 OCCNCc1ncccc1O 34a_100016990907_200020655725 [1,1,0,0,0,0|2,0,0]=4 13800 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [1,1,0,0,0,0|1,0,0]=3 13801 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [1,1,0,0,0,0|1,0,0]=3 13802 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [1,1,0,0,0,0|1,0,0]=3 13803 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [1,1,0,0,0,0|1,0,0]=3 13804 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [1,1,0,0,0,0|1,0,0]=3 13805 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [1,1,0,0,0,0|1,0,0]=3 13806 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [1,1,0,0,0,0|1,0,0]=3 13807 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [1,1,0,0,0,0|1,0,0]=3 13808 B12R1.267 OCCOCc1cccnc1Br 34a_100000719692_100000211926 [1,1,0,0,0,0|2,0,0]=4 13809 B12R1.267 OCCOCc1cccnc1Br 7a_100000719692_100000211926 [1,1,0,0,0,0|2,0,0]=4 13810 B12R1.267 OCCOCc1cccnc1Cl 34a_100000748726_100000211926 [1,1,0,0,0,0|2,0,0]=4 13811 B12R1.267 OCCOCc1cccnc1Cl 7a_100000748726_100000211926 [1,1,0,0,0,0|2,0,0]=4 13812 B12R1.267 OCCOCc1cccnc1F 34a_100000079888_100000211926 [1,1,0,0,0,0|2,0,0]=4 13813 B12R1.267 OCCOCc1cccnc1F 7a_100000079888_100000211926 [1,1,0,0,0,0|2,0,0]=4 13814 B12R1.267 OCCOCc1ccncc1F 34a_100012172863_100000211926 [1,1,0,0,0,0|2,0,0]=4 13815 B12R1.267 OCCOCc1cnccc1Cl 34a_100000117392_100000211926 [1,1,0,0,0,0|2,0,0]=4 13816 B12R1.267 OCCOCc1ncccc1Br 34a_100011996772_100000211926 [1,1,0,0,0,0|2,0,0]=4 13817 B12R1.267 OCCOCc1ncccc1Cl 34a_100012002383_100000211926 [1,1,0,0,0,0|2,0,0]=4 13818 B12R1.267 OCCOCc1ncccc1F 34a_100011934865_100000211926 [1,1,0,0,0,0|2,0,0]=4 13819 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [1,1,0,0,0,0|1,0,0]=3 13820 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [1,1,0,0,0,0|1,0,0]=3 13821 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [1,1,0,0,0,0|1,0,0]=3 13822 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [1,1,0,0,0,0|1,0,0]=3 13823 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [1,1,0,0,0,0|1,0,0]=3 13824 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [1,1,0,0,0,0|1,0,0]=3 13825 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [1,1,0,0,0,0|1,0,0]=3 13826 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [1,1,0,0,0,0|1,0,0]=3 13827 B12R1.267 OCCSCc1cccnc1Br 62a_100000211926_100010140945 [1,1,0,0,0,0|2,0,0]=4 13828 B12R1.267 OCCSCc1cccnc1Br 62a_100010140945_100000211926 [1,1,0,0,0,0|2,0,0]=4 13829 B12R1.267 OCCSCc1cccnc1Cl 62a_100000045678_100000211926 [1,1,0,0,0,0|2,0,0]=4 13830 B12R1.267 OCCSCc1cccnc1Cl 62a_100000211926_100000045678 [1,1,0,0,0,0|2,0,0]=4 13831 B12R1.267 OCCSCc1cccnc1F 62a_100000099810_100000211926 [1,1,0,0,0,0|2,0,0]=4 13832 B12R1.267 OCCSCc1cccnc1F 62a_100000211926_100000099810 [1,1,0,0,0,0|2,0,0]=4 13833 B12R1.267 OCCSCc1ccncc1Cl 62a_100000211926_100000763264 [1,1,0,0,0,0|2,0,0]=4 13834 B12R1.267 OCCSCc1ccncc1Cl 62a_100000763264_100000211926 [1,1,0,0,0,0|2,0,0]=4 13835 B12R1.267 OCCSCc1ncccc1Br 62a_100000211926_100025702911 [1,1,0,0,0,0|2,0,0]=4 13836 B12R1.267 OCCSCc1ncccc1Br 62a_100025702911_100000211926 [1,1,0,0,0,0|2,0,0]=4 13837 B12R1.267 OCCSCc1ncccc1Cl 62a_100000099807_100000211926 [1,1,0,0,0,0|2,0,0]=4 13838 B12R1.267 OCCSCc1ncccc1Cl 62a_100000211926_100000099807 [1,1,0,0,0,0|2,0,0]=4 13839 B12R1.267 OCCSCc1ncccc1F 62a_100000104219_100000211926 [1,1,0,0,0,0|2,0,0]=4 13840 B12R1.267 OCCSCc1ncccc1F 62a_100000211926_100000104219 [1,1,0,0,0,0|2,0,0]=4 13841 B12R1.267 OCCSCc1ncccc1O 62a_100000211926_200020655725 [1,1,0,0,0,0|2,0,0]=4 13842 B12R1.267 OCCSCc1ncccc1O 62a_200020655725_100000211926 [1,1,0,0,0,0|2,0,0]=4 13843 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [1,1,0,0,0,0|2,0,0]=4 13844 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [1,1,0,0,0,0|2,0,0]=4 13845 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [1,1,0,0,0,0|2,0,0]=4 13846 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [1,1,0,0,0,0|2,0,0]=4 13847 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [1,1,0,0,0,0|2,0,0]=4 13848 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [1,1,0,0,0,0|2,0,0]=4 13849 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [1,1,0,0,0,0|2,0,0]=4 13850 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [1,1,0,0,0,0|1,0,0]=3 13851 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [1,1,0,0,0,0|1,0,0]=3 13852 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [1,1,0,0,0,0|2,0,0]=4 13853 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [1,1,0,0,0,0|2,0,0]=4 13854 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [1,1,0,0,0,0|2,0,0]=4 13855 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [1,1,0,0,0,0|2,0,0]=4 13856 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [1,1,0,0,0,0|2,0,0]=4 13857 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [1,1,0,0,0,0|2,0,0]=4 13858 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [1,1,0,0,0,0|1,0,0]=3 13859 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [1,1,0,0,0,0|1,0,0]=3 13860 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [1,1,0,0,0,0|1,0,0]=3 13861 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [1,1,0,0,0,0|1,0,0]=3 13862 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [1,1,0,0,0,0|1,0,0]=3 13863 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [1,1,0,0,0,0|1,0,0]=3 13864 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [1,1,0,0,0,0|2,0,0]=4 13865 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [1,1,0,0,0,0|2,0,0]=4 13866 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [1,1,0,0,0,0|2,0,0]=4 13867 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [1,1,0,0,0,0|2,0,0]=4 13868 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [1,1,0,0,0,0|2,0,0]=4 13869 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [1,1,0,0,0,0|2,0,0]=4 13870 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [1,1,0,0,0,0|2,0,0]=4 13871 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [1,1,0,0,0,0|2,0,0]=4 13872 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [1,1,0,0,0,0|2,0,0]=4 13873 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [1,1,0,0,0,0|2,0,0]=4 13874 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [1,1,0,0,0,0|2,0,0]=4 13875 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [1,1,0,0,0,0|2,0,0]=4 13876 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [1,1,0,0,0,0|2,0,0]=4 13877 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [1,1,0,0,0,0|2,0,0]=4 13878 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [1,1,0,0,0,0|1,0,0]=3 13879 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [1,1,0,0,0,0|1,0,0]=3 13880 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [1,1,0,0,0,0|2,0,0]=4 13881 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [1,1,0,0,0,0|2,0,0]=4 13882 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [1,1,0,0,0,0|2,0,0]=4 13883 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [1,1,0,0,0,0|2,0,0]=4 13884 B12R1.267 [O-][n+]1ccccc1OCCCO 7a_100000211761_100011215043 [1,1,0,0,0,0|2,0,0]=4 13885 B12R1.267 [O-][n+]1ccccc1SCCCO 62a_100011215043_200000042595 [1,1,0,0,0,0|2,0,0]=4 13886 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,1,0,0,1,0|2,0,0]=4 13887 B12R1.7 Cc1cc(cs1)CNCCCO 207a_100000182051_100011998532 [0,1,0,0,1,0|2,0,0]=4 13888 B12R1.7 Cc1cc(cs1)CNCCCO 270004a_100000182051_100011998532 [0,1,0,0,1,0|2,0,0]=4 13889 B12R1.7 Cc1cc(cs1)SCCCCO 62a_100000210776_100000759034 [0,1,0,0,1,0|2,0,0]=4 13890 B12R1.7 Cc1cc(cs1)SCCCCO 62a_100000759034_100000210776 [0,1,0,0,1,0|2,0,0]=4 13891 B12R1.7 Cc1ccc(o1)CCNCCO 2230a_100000739271_100000211926 [0,1,0,0,1,0|2,0,0]=4 13892 B12R1.7 Cc1ccc(o1)CCNCCO 34a_100000739271_100000211926 [0,1,0,0,1,0|2,0,0]=4 13893 B12R1.7 Cc1ccc(o1)CCOCCO 34a_100012161071_100000211926 [0,1,0,0,1,0|2,0,0]=4 13894 B12R1.7 Cc1ccc(o1)CCOCCO 7a_100012161071_100000211926 [0,1,0,0,1,0|2,0,0]=4 13895 B12R1.7 Cc1ccc(o1)CNCCCO 207a_100000182051_100000183696 [0,1,0,0,1,0|2,0,0]=4 13896 B12R1.7 Cc1ccc(o1)CNCCCO 270004a_100000182051_100000183696 [0,1,0,0,1,0|2,0,0]=4 13897 B12R1.7 Cc1ccc(o1)CNCCCO 34a_100011194323_100000230001 [0,1,0,0,1,0|2,0,0]=4 13898 B12R1.7 Cc1ccc(o1)COCCCO 34a_100011232665_100000230001 [0,1,0,0,1,0|2,0,0]=4 13899 B12R1.7 Cc1ccc(o1)COCCCO 7a_100011232665_100011215043 [0,1,0,0,1,0|2,0,0]=4 13900 B12R1.7 Cc1ccc(s1)CNCCCO 207a_100000182051_100000211121 [0,1,0,0,1,0|2,0,0]=4 13901 B12R1.7 Cc1ccc(s1)CNCCCO 2230a_100000238518_100000230001 [0,1,0,0,1,0|2,0,0]=4 13902 B12R1.7 Cc1ccc(s1)CNCCCO 270004a_100000182051_100000211121 [0,1,0,0,1,0|2,0,0]=4 13903 B12R1.7 Cc1ccc(s1)COCCCO 34a_100000238367_100000230001 [0,1,0,0,1,0|2,0,0]=4 13904 B12R1.7 Cc1ccc(s1)SCCCCO 62a_100000031368_100000210776 [0,1,0,0,1,0|2,0,0]=4 13905 B12R1.7 Cc1ccc(s1)SCCCCO 62a_100000210776_100000031368 [0,1,0,0,1,0|2,0,0]=4 13906 B12R1.7 Cc1csc(c1)CNCCCO 207a_100000182051_100102525248 [0,1,0,0,1,0|2,0,0]=4 13907 B12R1.7 Cc1csc(c1)CNCCCO 2230a_100015204214_100000230001 [0,1,0,0,1,0|2,0,0]=4 13908 B12R1.7 Cc1csc(c1)CNCCCO 270004a_100000182051_100102525248 [0,1,0,0,1,0|2,0,0]=4 13909 B12R1.7 Cc1csc(c1)CNCCCO 34a_100015204214_100000230001 [0,1,0,0,1,0|2,0,0]=4 13910 B12R1.7 Cc1csc(c1)COCCCO 34a_200000068372_100000230001 [0,1,0,0,1,0|2,0,0]=4 13911 B12R1.7 Cc1csc(c1)COCCCO 7a_200000068372_100011215043 [0,1,0,0,1,0|2,0,0]=4 13912 B12R1.7 Cc1csc(c1)SCCCCO 62a_100000210776_100009876951 [0,1,0,0,1,0|2,0,0]=4 13913 B12R1.7 Cc1csc(c1)SCCCCO 62a_100009876951_100000210776 [0,1,0,0,1,0|2,0,0]=4 13914 B12R1.7 OCCCCSc1ccc(s1)Br 62a_100000210776_100010197418 [0,1,0,0,1,0|2,0,0]=4 13915 B12R1.7 OCCCCSc1ccc(s1)Br 62a_100010197418_100000210776 [0,1,0,0,1,0|2,0,0]=4 13916 B12R1.7 OCCCNCc1cc(c[nH]1)Br 270004a_100000182051_100000720742 [0,1,0,0,1,0|2,0,0]=4 13917 B12R1.7 OCCCNCc1cc(co1)Br 270004a_100000182051_100000747035 [0,1,0,0,1,0|2,0,0]=4 13918 B12R1.7 OCCCNCc1cc(cs1)Br 207a_100000182051_100000211722 [0,1,0,0,1,0|2,0,0]=4 13919 B12R1.7 OCCCNCc1cc(cs1)Br 2230a_100000741024_100000230001 [0,1,0,0,1,0|2,0,0]=4 13920 B12R1.7 OCCCNCc1cc(cs1)Br 270004a_100000182051_100000211722 [0,1,0,0,1,0|2,0,0]=4 13921 B12R1.7 OCCCNCc1cc(cs1)Br 34a_100000741024_100000230001 [0,1,0,0,1,0|2,0,0]=4 13922 B12R1.7 OCCCNCc1cc(cs1)Cl 207a_100000182051_100000102487 [0,1,0,0,1,0|2,0,0]=4 13923 B12R1.7 OCCCNCc1cc(cs1)Cl 270004a_100000182051_100000102487 [0,1,0,0,1,0|2,0,0]=4 13924 B12R1.7 OCCCNCc1cc(cs1)I 207a_100000182051_100010179861 [0,1,0,0,1,0|2,0,0]=4 13925 B12R1.7 OCCCNCc1ccc(o1)Br 207a_100000182051_100000185145 [0,1,0,0,1,0|2,0,0]=4 13926 B12R1.7 OCCCNCc1ccc(o1)Br 270004a_100000182051_100000185145 [0,1,0,0,1,0|2,0,0]=4 13927 B12R1.7 OCCCNCc1ccc(o1)Br 34a_100000708654_100000230001 [0,1,0,0,1,0|2,0,0]=4 13928 B12R1.7 OCCCNCc1ccc(o1)Cl 207a_100000182051_100000188459 [0,1,0,0,1,0|2,0,0]=4 13929 B12R1.7 OCCCNCc1ccc(o1)Cl 270004a_100000182051_100000188459 [0,1,0,0,1,0|2,0,0]=4 13930 B12R1.7 OCCCNCc1ccc(o1)I 207a_100000182051_100000186757 [0,1,0,0,1,0|2,0,0]=4 13931 B12R1.7 OCCCNCc1ccc(s1)Br 207a_100000182051_100000179771 [0,1,0,0,1,0|2,0,0]=4 13932 B12R1.7 OCCCNCc1ccc(s1)Br 270004a_100000182051_100000179771 [0,1,0,0,1,0|2,0,0]=4 13933 B12R1.7 OCCCNCc1ccc(s1)Cl 207a_100000182051_100000242774 [0,1,0,0,1,0|2,0,0]=4 13934 B12R1.7 OCCCNCc1ccc(s1)Cl 2230a_100000737310_100000230001 [0,1,0,0,1,0|2,0,0]=4 13935 B12R1.7 OCCCNCc1ccc(s1)Cl 270004a_100000182051_100000242774 [0,1,0,0,1,0|2,0,0]=4 13936 B12R1.7 OCCCNCc1csc(c1)Br 207a_100000182051_100000737087 [0,1,0,0,1,0|2,0,0]=4 13937 B12R1.7 OCCCNCc1csc(c1)Br 270004a_100000182051_100000737087 [0,1,0,0,1,0|2,0,0]=4 13938 B12R1.7 OCCCNCc1csc(c1)Cl 207a_100000182051_100009844934 [0,1,0,0,1,0|2,0,0]=4 13939 B12R1.7 OCCCNCc1csc(c1)Cl 270004a_100000182051_100009844934 [0,1,0,0,1,0|2,0,0]=4 13940 B12R1.7 OCCCOCc1cc(cs1)Br 34a_100000238369_100000230001 [0,1,0,0,1,0|2,0,0]=4 13941 B12R1.7 OCCCOCc1cc(cs1)Br 7a_100000238369_100011215043 [0,1,0,0,1,0|2,0,0]=4 13942 B12R1.7 OCCCOCc1ccc(o1)Br 34a_100000246276_100000230001 [0,1,0,0,1,0|2,0,0]=4 13943 B12R1.7 OCCCOCc1ccc(o1)Br 7a_100000246276_100011215043 [0,1,0,0,1,0|2,0,0]=4 13944 B12R1.7 OCCCOCc1csc(c1)Cl 34a_100009863405_100000230001 [0,1,0,0,1,0|2,0,0]=4 13945 B12R1.7 OCCCOCc1csc(c1)Cl 7a_100009863405_100011215043 [0,1,0,0,1,0|2,0,0]=4 13946 B12R1.7 OCCCSCc1cc(cs1)Br 62a_100000746031_100011215043 [0,1,0,0,1,0|2,0,0]=4 13947 B12R1.7 OCCCSCc1cc(cs1)Br 62a_100011215043_100000746031 [0,1,0,0,1,0|2,0,0]=4 13948 B12R1.7 OCCCSCc1ccc(s1)Br 62a_100000708592_100011215043 [0,1,0,0,1,0|2,0,0]=4 13949 B12R1.7 OCCCSCc1ccc(s1)Br 62a_100011215043_100000708592 [0,1,0,0,1,0|2,0,0]=4 13950 B12R1.7 OCCCSCc1ccc(s1)Cl 62a_100000185097_100011215043 [0,1,0,0,1,0|2,0,0]=4 13951 B12R1.7 OCCCSCc1ccc(s1)Cl 62a_100011215043_100000185097 [0,1,0,0,1,0|2,0,0]=4 13952 B12R1.7 OCCNCCc1ccc(s1)Br 2230a_100000217605_100000211926 [0,1,0,0,1,0|2,0,0]=4 13953 B12R1.35 CC(NCCCO)c1cc[nH]c1 269862a_100000182051_100000753940 [0,1,0,0,1,0|2,0,0]=4 13954 B12R1.35 CC(NCCCO)c1ccc[nH]1 269862a_100000182051_100000183661 [0,1,0,0,1,0|2,0,0]=4 13955 B12R1.35 CC(NCCCO)c1cccs1 2230a_100000703493_100000230001 [0,1,0,0,1,0|2,0,0]=4 13956 B12R1.35 CC(NCCCO)c1cccs1 269862a_100000182051_100000185736 [0,1,0,0,1,0|2,0,0]=4 13957 B12R1.35 CC(NCCCO)c1ccoc1 2230a_100000690049_100000230001 [0,1,0,0,1,0|2,0,0]=4 13958 B12R1.35 CC(NCCCO)c1ccsc1 2230a_100000748604_100000230001 [0,1,0,0,1,0|2,0,0]=4 13959 B12R1.35 CC(NCCCO)c1ccsc1 269862a_100000182051_100000747891 [0,1,0,0,1,0|2,0,0]=4 13960 B12R1.35 CC(OCCCO)c1ccsc1 34a_100011350980_100000230001 [0,1,0,0,1,0|2,0,0]=4 13961 B12R1.35 CC(OCCCO)c1ccsc1 7a_100011350980_100011215043 [0,1,0,0,1,0|2,0,0]=4 13962 B12R1.35 C[C@@H](NCCCO)c1ccco1 2230a_100160469435_100000230001 [0,1,0,0,1,0|2,0,0]=4 13963 B12R1.35 C[C@@H](OCCCO)c1cccs1 7a_100000750433_100011215043 [0,1,0,0,1,0|2,0,0]=4 13964 B12R1.35 C[C@H](OCCCO)c1ccco1 34a_100000755270_100000230001 [0,1,0,0,1,0|2,0,0]=4 13965 B12R1.35 C[C@H](OCCCO)c1ccco1 7a_100000755270_100011215043 [0,1,0,0,1,0|2,0,0]=4 13966 B12R1.35 NC(COCCO)c1cccs1 34a_100102422791_100000211926 [0,1,0,0,1,0|2,0,0]=4 13967 B12R1.35 OCCNCC(O)c1ccco1 2230a_100000738650_100000211926 [0,1,0,0,1,0|2,0,0]=4 13968 B12R1.35 OCCNCC(O)c1ccsc1 2230a_100000758718_100000211926 [0,1,0,0,1,0|2,0,0]=4 13969 B12R1.35 OCCNCC(O)c1ccsc1 34a_100000758718_100000211926 [0,1,0,0,1,0|2,0,0]=4 13970 B12R1.37 BrCCCCOCc1ccsc1 34a_100011216708_100011261437 [0,1,0,0,1,0|2,0,0]=4 13971 B12R1.37 BrCCCOCCc1cccs1 34a_100011217188_100000748579 [0,1,0,0,1,0|2,0,0]=4 13972 B12R1.37 BrCCOCCCc1cccs1 34a_100000211926_100010992444 [0,1,0,0,1,0|2,0,0]=4 13973 B12R1.37 BrCCOCCCn1cccc1 34a_100000211926_200009814367 [0,1,0,0,1,0|2,0,0]=4 13974 B12R1.37 CCCCCCOc1ccsc1 34a_100000106738_100000210314 [0,1,0,0,1,0|2,0,0]=4 13975 B12R1.37 CCCCCCOc1ccsc1 7a_100000106738_100000210314 [0,1,0,0,1,0|2,0,0]=4 13976 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,1,0,0,1,0|2,0,0]=4 13977 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,1,0,0,1,0|2,0,0]=4 13978 B12R1.37 CCCCCCSc1cccs1 62a_100000210314_100011215356 [0,1,0,0,1,0|2,0,0]=4 13979 B12R1.37 CCCCCCSc1cccs1 62a_100011215356_100000210757 [0,1,0,0,1,0|2,0,0]=4 13980 B12R1.37 CCCCCCSc1ccoc1 62a_100000210314_100011215275 [0,1,0,0,1,0|2,0,0]=4 13981 B12R1.37 CCCCCCSc1ccoc1 62a_100011215275_100000210757 [0,1,0,0,1,0|2,0,0]=4 13982 B12R1.37 CCCCCCSc1ccsc1 62a_100000210314_100000738268 [0,1,0,0,1,0|2,0,0]=4 13983 B12R1.37 CCCCCCSc1ccsc1 62a_100000738268_100000210757 [0,1,0,0,1,0|2,0,0]=4 13984 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,1,0,0,1,0|2,0,0]=4 13985 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,1,0,0,1,0|2,0,0]=4 13986 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,1,0,0,1,0|2,0,0]=4 13987 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,1,0,0,1,0|2,0,0]=4 13988 B12R1.37 CCCCCNCc1cccs1 207a_100000209983_100000209959 [0,1,0,0,1,0|2,0,0]=4 13989 B12R1.37 CCCCCNCc1cccs1 2230a_100000211653_100000210326 [0,1,0,0,1,0|2,0,0]=4 13990 B12R1.37 CCCCCNCc1cccs1 270004a_100000209983_100000209959 [0,1,0,0,1,0|2,0,0]=4 13991 B12R1.37 CCCCCNCc1ccoc1 207a_100000209983_100011215517 [0,1,0,0,1,0|2,0,0]=4 13992 B12R1.37 CCCCCNCc1ccoc1 2230a_100015206860_100000210326 [0,1,0,0,1,0|2,0,0]=4 13993 B12R1.37 CCCCCNCc1ccoc1 270004a_100000209983_100011215517 [0,1,0,0,1,0|2,0,0]=4 13994 B12R1.37 CCCCCNCc1ccoc1 34a_100015206860_100000718602 [0,1,0,0,1,0|2,0,0]=4 13995 B12R1.37 CCCCCNCc1ccsc1 207a_100000209983_100000188534 [0,1,0,0,1,0|2,0,0]=4 13996 B12R1.37 CCCCCNCc1ccsc1 2230a_100000186416_100000210326 [0,1,0,0,1,0|2,0,0]=4 13997 B12R1.37 CCCCCNCc1ccsc1 2230a_100000209983_100011261437 [0,1,0,0,1,0|2,0,0]=4 13998 B12R1.37 CCCCCNCc1ccsc1 270004a_100000209983_100000188534 [0,1,0,0,1,0|2,0,0]=4 13999 B12R1.37 CCCCCNCc1ccsc1 34a_100000186416_100000718602 [0,1,0,0,1,0|2,0,0]=4 14000 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,1,0,0,1,0|2,0,0]=4 14001 B12R1.37 CCCCCOCc1cccs1 34a_100000211240_100000718602 [0,1,0,0,1,0|2,0,0]=4 14002 B12R1.37 CCCCCOCc1ccoc1 34a_100011215357_100000718602 [0,1,0,0,1,0|2,0,0]=4 14003 B12R1.37 CCCCCOCc1ccsc1 34a_100000210253_100011261437 [0,1,0,0,1,0|2,0,0]=4 14004 B12R1.37 CCCCCOCc1ccsc1 34a_100011215551_100000718602 [0,1,0,0,1,0|2,0,0]=4 14005 B12R1.37 CCCCCOCc1ccsc1 7a_100000210253_100011261437 [0,1,0,0,1,0|2,0,0]=4 14006 B12R1.37 CCCCCSCc1ccsc1 62a_100000210326_100011233845 [0,1,0,0,1,0|2,0,0]=4 14007 B12R1.37 CCCCCSCc1ccsc1 62a_100011261437_100000210326 [0,1,0,0,1,0|2,0,0]=4 14008 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,1,0,0,1,0|2,0,0]=4 14009 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,1,0,0,1,0|2,0,0]=4 14010 B12R1.37 CCCCNCCc1cccs1 2230a_100000102301_100000748579 [0,1,0,0,1,0|2,0,0]=4 14011 B12R1.37 CCCCNCCc1cccs1 2230a_100000203755_100000210211 [0,1,0,0,1,0|2,0,0]=4 14012 B12R1.37 CCCCNCCc1cccs1 34a_100000203755_100000210210 [0,1,0,0,1,0|2,0,0]=4 14013 B12R1.37 CCCCNCCc1cccs1 7a_106832991798_100000748579 [0,1,0,0,1,0|2,0,0]=4 14014 B12R1.37 CCCCNCCc1ccsc1 2230a_100000692642_100000210211 [0,1,0,0,1,0|2,0,0]=4 14015 B12R1.37 CCCCNCCc1ccsc1 34a_100000692642_100000210210 [0,1,0,0,1,0|2,0,0]=4 14016 B12R1.37 CCCCNCCn1cccc1 2230a_100000102301_200009811947 [0,1,0,0,1,0|2,0,0]=4 14017 B12R1.37 CCCCNCCn1cccc1 34a_100011368172_100000210210 [0,1,0,0,1,0|2,0,0]=4 14018 B12R1.37 CCCCNCCn1cccc1 7a_106832991798_200000035178 [0,1,0,0,1,0|2,0,0]=4 14019 B12R1.37 CCCCOCCc1cccs1 34a_100000210227_100000748579 [0,1,0,0,1,0|2,0,0]=4 14020 B12R1.37 CCCCOCCc1cccs1 34a_100011216825_100000210210 [0,1,0,0,1,0|2,0,0]=4 14021 B12R1.37 CCCCOCCc1cccs1 7a_100000210227_100000748579 [0,1,0,0,1,0|2,0,0]=4 14022 B12R1.37 CCCCOCCc1cccs1 7a_100011216825_100000210211 [0,1,0,0,1,0|2,0,0]=4 14023 B12R1.37 CCCCOCCc1ccsc1 34a_100000748821_100000210210 [0,1,0,0,1,0|2,0,0]=4 14024 B12R1.37 CCCCOCCn1cccc1 34a_100000179382_100000210210 [0,1,0,0,1,0|2,0,0]=4 14025 B12R1.37 CCCCOCCn1cccc1 7a_100000210227_200000035178 [0,1,0,0,1,0|2,0,0]=4 14026 B12R1.37 CCCCSCCc1cccs1 62a_100000210211_100000748579 [0,1,0,0,1,0|2,0,0]=4 14027 B12R1.37 CCCCSCCc1cccs1 62a_100000748579_100000210210 [0,1,0,0,1,0|2,0,0]=4 14028 B12R1.37 CCCCSCCn1cccc1 62a_100000210211_200000035178 [0,1,0,0,1,0|2,0,0]=4 14029 B12R1.37 CCCCSCCn1cccc1 62a_200009811947_100000210210 [0,1,0,0,1,0|2,0,0]=4 14030 B12R1.37 CCCOCCCc1cccs1 34a_100000210258_100010992444 [0,1,0,0,1,0|2,0,0]=4 14031 B12R1.37 CCCOCCCc1cccs1 34a_100011713143_100000210303 [0,1,0,0,1,0|2,0,0]=4 14032 B12R1.37 CCCOCCCc1cccs1 7a_100011713143_100000210303 [0,1,0,0,1,0|2,0,0]=4 14033 B12R1.37 CCCOCCCc1ccsc1 34a_200000699776_100000210303 [0,1,0,0,1,0|2,0,0]=4 14034 B12R1.37 CCCOCCCc1ccsc1 7a_200000699776_100000210303 [0,1,0,0,1,0|2,0,0]=4 14035 B12R1.37 CCCOCCCn1cccc1 34a_100000179399_100000210303 [0,1,0,0,1,0|2,0,0]=4 14036 B12R1.37 CCCOCCCn1cccc1 34a_100000210258_200009814367 [0,1,0,0,1,0|2,0,0]=4 14037 B12R1.37 CCCOCCCn1cccc1 7a_100000179399_100000210303 [0,1,0,0,1,0|2,0,0]=4 14038 B12R1.37 CCCSCCCc1cccs1 62a_100000210303_100010992444 [0,1,0,0,1,0|2,0,0]=4 14039 B12R1.37 CCCSCCCc1cccs1 62a_100010992444_100000210303 [0,1,0,0,1,0|2,0,0]=4 14040 B12R1.37 CCCSCCCn1cccc1 62a_100000210303_200009814367 [0,1,0,0,1,0|2,0,0]=4 14041 B12R1.37 CCCSCCCn1cccc1 62a_200009814367_100000210303 [0,1,0,0,1,0|2,0,0]=4 14042 B12R1.37 COCCCCOc1ccsc1 34a_100000106738_100000755781 [0,1,0,0,1,0|2,0,0]=4 14043 B12R1.37 COCCCCOc1ccsc1 7a_100000106738_100000730899 [0,1,0,0,1,0|2,0,0]=4 14044 B12R1.37 COCCCCSc1ccco1 62a_100000730899_100009814098 [0,1,0,0,1,0|2,0,0]=4 14045 B12R1.37 COCCCCSc1ccco1 62a_100009814098_100000730899 [0,1,0,0,1,0|2,0,0]=4 14046 B12R1.37 COCCCCSc1cccs1 62a_100000730899_100011215356 [0,1,0,0,1,0|2,0,0]=4 14047 B12R1.37 COCCCCSc1cccs1 62a_100011215356_100000730899 [0,1,0,0,1,0|2,0,0]=4 14048 B12R1.37 COCCCCSc1ccoc1 62a_100000730899_100011215275 [0,1,0,0,1,0|2,0,0]=4 14049 B12R1.37 COCCCCSc1ccoc1 62a_100011215275_100000730899 [0,1,0,0,1,0|2,0,0]=4 14050 B12R1.37 COCCCCSc1ccsc1 62a_100000730899_100000738268 [0,1,0,0,1,0|2,0,0]=4 14051 B12R1.37 COCCCCSc1ccsc1 62a_100000738268_100000730899 [0,1,0,0,1,0|2,0,0]=4 14052 B12R1.37 COCCCNCc1ccco1 207a_100150723488_100000186105 [0,1,0,0,1,0|2,0,0]=4 14053 B12R1.37 COCCCNCc1ccco1 2230a_100000185738_100000740836 [0,1,0,0,1,0|2,0,0]=4 14054 B12R1.37 COCCCNCc1ccco1 270004a_100150723488_100000186105 [0,1,0,0,1,0|2,0,0]=4 14055 B12R1.37 COCCCNCc1ccco1 34a_100000185738_100000740836 [0,1,0,0,1,0|2,0,0]=4 14056 B12R1.37 COCCCNCc1cccs1 207a_100150723488_100000209959 [0,1,0,0,1,0|2,0,0]=4 14057 B12R1.37 COCCCNCc1cccs1 2230a_100000211653_100000740836 [0,1,0,0,1,0|2,0,0]=4 14058 B12R1.37 COCCCNCc1cccs1 270004a_100150723488_100000209959 [0,1,0,0,1,0|2,0,0]=4 14059 B12R1.37 COCCCNCc1cccs1 34a_100015187169_200000210301 [0,1,0,0,1,0|2,0,0]=4 14060 B12R1.37 COCCCNCc1ccoc1 207a_100150723488_100011215517 [0,1,0,0,1,0|2,0,0]=4 14061 B12R1.37 COCCCNCc1ccoc1 2230a_100015206860_100000740836 [0,1,0,0,1,0|2,0,0]=4 14062 B12R1.37 COCCCNCc1ccoc1 270004a_100150723488_100011215517 [0,1,0,0,1,0|2,0,0]=4 14063 B12R1.37 COCCCNCc1ccoc1 34a_100015206860_100000740836 [0,1,0,0,1,0|2,0,0]=4 14064 B12R1.37 COCCCNCc1ccsc1 207a_100150723488_100000188534 [0,1,0,0,1,0|2,0,0]=4 14065 B12R1.37 COCCCNCc1ccsc1 2230a_100000186416_100000740836 [0,1,0,0,1,0|2,0,0]=4 14066 B12R1.37 COCCCNCc1ccsc1 270004a_100150723488_100000188534 [0,1,0,0,1,0|2,0,0]=4 14067 B12R1.37 COCCCNCc1ccsc1 34a_100000186416_100000740836 [0,1,0,0,1,0|2,0,0]=4 14068 B12R1.37 COCCCNCc1ccsc1 34a_100150723488_100011261437 [0,1,0,0,1,0|2,0,0]=4 14069 B12R1.37 COCCCOCc1ccco1 34a_100000210059_100000740836 [0,1,0,0,1,0|2,0,0]=4 14070 B12R1.37 COCCCOCc1cccs1 34a_100000211240_100000740836 [0,1,0,0,1,0|2,0,0]=4 14071 B12R1.37 COCCCOCc1ccoc1 34a_100011215357_100000740836 [0,1,0,0,1,0|2,0,0]=4 14072 B12R1.37 COCCCOCc1ccsc1 34a_100000740835_100011261437 [0,1,0,0,1,0|2,0,0]=4 14073 B12R1.37 COCCCOCc1ccsc1 34a_100011215551_100000740836 [0,1,0,0,1,0|2,0,0]=4 14074 B12R1.37 COCCCSCc1ccsc1 62a_100000709357_100011233845 [0,1,0,0,1,0|2,0,0]=4 14075 B12R1.37 COCCCSCc1ccsc1 62a_100011261437_100000709357 [0,1,0,0,1,0|2,0,0]=4 14076 B12R1.37 COCCNCCc1ccco1 2230a_100000694680_100011201679 [0,1,0,0,1,0|2,0,0]=4 14077 B12R1.37 COCCNCCc1ccco1 34a_100000694680_100011201679 [0,1,0,0,1,0|2,0,0]=4 14078 B12R1.37 COCCNCCc1cccs1 2230a_100000203755_100011201679 [0,1,0,0,1,0|2,0,0]=4 14079 B12R1.37 COCCNCCc1cccs1 2230a_100000209980_100000748579 [0,1,0,0,1,0|2,0,0]=4 14080 B12R1.37 COCCNCCc1cccs1 34a_100000203755_100011201679 [0,1,0,0,1,0|2,0,0]=4 14081 B12R1.37 COCCNCCc1ccsc1 2230a_100000692642_100011201679 [0,1,0,0,1,0|2,0,0]=4 14082 B12R1.37 COCCNCCc1ccsc1 34a_100000692642_100011201679 [0,1,0,0,1,0|2,0,0]=4 14083 B12R1.37 COCCNCCn1cccc1 2230a_100000209980_200009811947 [0,1,0,0,1,0|2,0,0]=4 14084 B12R1.37 COCCNCCn1cccc1 34a_100011368172_100011201679 [0,1,0,0,1,0|2,0,0]=4 14085 B12R1.37 COCCOCCc1cccs1 34a_100000210237_100000748579 [0,1,0,0,1,0|2,0,0]=4 14086 B12R1.37 COCCOCCc1cccs1 34a_100011216825_100011201679 [0,1,0,0,1,0|2,0,0]=4 14087 B12R1.37 COCCOCCc1cccs1 7a_100011216825_100000233755 [0,1,0,0,1,0|2,0,0]=4 14088 B12R1.37 COCCOCCc1ccsc1 34a_100000748821_100011201679 [0,1,0,0,1,0|2,0,0]=4 14089 B12R1.37 COCCOCCn1cccc1 34a_100000179382_100011201679 [0,1,0,0,1,0|2,0,0]=4 14090 B12R1.37 COCCSCCc1cccs1 62a_100000233755_100000748579 [0,1,0,0,1,0|2,0,0]=4 14091 B12R1.37 COCCSCCc1cccs1 62a_100000748579_100000233755 [0,1,0,0,1,0|2,0,0]=4 14092 B12R1.37 COCCSCCn1cccc1 62a_100000233755_200000035178 [0,1,0,0,1,0|2,0,0]=4 14093 B12R1.37 COCCSCCn1cccc1 62a_200009811947_100000233755 [0,1,0,0,1,0|2,0,0]=4 14094 B12R1.37 COCSCCCc1cccs1 62a_100000766300_100010992444 [0,1,0,0,1,0|2,0,0]=4 14095 B12R1.37 COCSCCCc1cccs1 62a_100010992444_100000766300 [0,1,0,0,1,0|2,0,0]=4 14096 B12R1.37 COCSCCCn1cccc1 62a_100000766300_200009814367 [0,1,0,0,1,0|2,0,0]=4 14097 B12R1.37 COCSCCCn1cccc1 62a_200009814367_100000766300 [0,1,0,0,1,0|2,0,0]=4 14098 B12R1.37 ClCCCCOCc1ccsc1 34a_100000210776_100011261437 [0,1,0,0,1,0|2,0,0]=4 14099 B12R1.37 ClCCCCOCc1ccsc1 7a_100000210776_100011261437 [0,1,0,0,1,0|2,0,0]=4 14100 B12R1.37 ClCCCOCCc1cccs1 34a_100000230001_100000748579 [0,1,0,0,1,0|2,0,0]=4 14101 B12R1.37 FCCCCCOc1ccsc1 34a_100000106738_100000729378 [0,1,0,0,1,0|2,0,0]=4 14102 B12R1.37 FCCCCCOc1ccsc1 7a_100000106738_100000729378 [0,1,0,0,1,0|2,0,0]=4 14103 B12R1.37 FCCCCCSc1ccco1 62a_100000729378_100009814098 [0,1,0,0,1,0|2,0,0]=4 14104 B12R1.37 FCCCCCSc1ccco1 62a_100009814098_100000729378 [0,1,0,0,1,0|2,0,0]=4 14105 B12R1.37 FCCCCCSc1cccs1 62a_100000729378_100011215356 [0,1,0,0,1,0|2,0,0]=4 14106 B12R1.37 FCCCCCSc1cccs1 62a_100011215356_100000729378 [0,1,0,0,1,0|2,0,0]=4 14107 B12R1.37 FCCCCCSc1ccoc1 62a_100000729378_100011215275 [0,1,0,0,1,0|2,0,0]=4 14108 B12R1.37 FCCCCCSc1ccoc1 62a_100011215275_100000729378 [0,1,0,0,1,0|2,0,0]=4 14109 B12R1.37 FCCCCCSc1ccsc1 62a_100000729378_100000738268 [0,1,0,0,1,0|2,0,0]=4 14110 B12R1.37 FCCCCCSc1ccsc1 62a_100000738268_100000729378 [0,1,0,0,1,0|2,0,0]=4 14111 B12R1.37 FCCCCNCc1ccco1 2230a_100000185738_100000729493 [0,1,0,0,1,0|2,0,0]=4 14112 B12R1.37 FCCCCNCc1ccco1 34a_100000185738_100000729493 [0,1,0,0,1,0|2,0,0]=4 14113 B12R1.37 FCCCCNCc1cccs1 2230a_100000211653_100000729493 [0,1,0,0,1,0|2,0,0]=4 14114 B12R1.37 FCCCCNCc1ccoc1 2230a_100015206860_100000729493 [0,1,0,0,1,0|2,0,0]=4 14115 B12R1.37 FCCCCNCc1ccoc1 34a_100015206860_100000729493 [0,1,0,0,1,0|2,0,0]=4 14116 B12R1.37 FCCCCNCc1ccsc1 2230a_100000186416_100000729493 [0,1,0,0,1,0|2,0,0]=4 14117 B12R1.37 FCCCCNCc1ccsc1 34a_100000186416_100000729493 [0,1,0,0,1,0|2,0,0]=4 14118 B12R1.37 FCCCCOCc1ccco1 34a_100000210059_100000729493 [0,1,0,0,1,0|2,0,0]=4 14119 B12R1.37 FCCCCOCc1cccs1 34a_100000211240_100000729493 [0,1,0,0,1,0|2,0,0]=4 14120 B12R1.37 FCCCCOCc1ccoc1 34a_100011215357_100000729493 [0,1,0,0,1,0|2,0,0]=4 14121 B12R1.37 FCCCCOCc1ccsc1 34a_100011215551_100000729493 [0,1,0,0,1,0|2,0,0]=4 14122 B12R1.37 FCCCCOCc1ccsc1 34a_100011995726_100011261437 [0,1,0,0,1,0|2,0,0]=4 14123 B12R1.37 FCCCCOCc1ccsc1 7a_100011995726_100011261437 [0,1,0,0,1,0|2,0,0]=4 14124 B12R1.37 FCCCCSCc1ccsc1 62a_100000729493_100011233845 [0,1,0,0,1,0|2,0,0]=4 14125 B12R1.37 FCCCCSCc1ccsc1 62a_100011261437_100000729493 [0,1,0,0,1,0|2,0,0]=4 14126 B12R1.37 FCCCNCCc1ccco1 2230a_100000694680_100011934791 [0,1,0,0,1,0|2,0,0]=4 14127 B12R1.37 FCCCNCCc1ccco1 34a_100000694680_100011934791 [0,1,0,0,1,0|2,0,0]=4 14128 B12R1.37 FCCCNCCc1cccs1 2230a_100000203755_100011934791 [0,1,0,0,1,0|2,0,0]=4 14129 B12R1.37 FCCCNCCc1cccs1 2230a_100015189416_100000748579 [0,1,0,0,1,0|2,0,0]=4 14130 B12R1.37 FCCCNCCc1cccs1 34a_100000203755_100011934791 [0,1,0,0,1,0|2,0,0]=4 14131 B12R1.37 FCCCNCCc1cccs1 34a_100015189416_100000748579 [0,1,0,0,1,0|2,0,0]=4 14132 B12R1.37 FCCCNCCc1ccsc1 2230a_100000692642_100011934791 [0,1,0,0,1,0|2,0,0]=4 14133 B12R1.37 FCCCNCCc1ccsc1 34a_100000692642_100011934791 [0,1,0,0,1,0|2,0,0]=4 14134 B12R1.37 FCCCNCCn1cccc1 2230a_100015189416_200009811947 [0,1,0,0,1,0|2,0,0]=4 14135 B12R1.37 FCCCNCCn1cccc1 34a_100011368172_100011934791 [0,1,0,0,1,0|2,0,0]=4 14136 B12R1.37 FCCCOCCc1cccs1 34a_100000759539_100000748579 [0,1,0,0,1,0|2,0,0]=4 14137 B12R1.37 FCCCOCCc1cccs1 34a_100011216825_100011934791 [0,1,0,0,1,0|2,0,0]=4 14138 B12R1.37 FCCCOCCc1cccs1 7a_100011216825_100011934791 [0,1,0,0,1,0|2,0,0]=4 14139 B12R1.37 FCCCOCCc1ccsc1 34a_100000748821_100011934791 [0,1,0,0,1,0|2,0,0]=4 14140 B12R1.37 FCCCOCCn1cccc1 34a_100000179382_100011934791 [0,1,0,0,1,0|2,0,0]=4 14141 B12R1.37 FCCCSCCc1cccs1 62a_100000748579_100011934791 [0,1,0,0,1,0|2,0,0]=4 14142 B12R1.37 FCCCSCCc1cccs1 62a_100011934791_100000748579 [0,1,0,0,1,0|2,0,0]=4 14143 B12R1.37 FCCCSCCn1cccc1 62a_100011934791_200000035178 [0,1,0,0,1,0|2,0,0]=4 14144 B12R1.37 FCCCSCCn1cccc1 62a_200009811947_100011934791 [0,1,0,0,1,0|2,0,0]=4 14145 B12R1.37 FCCNCCCc1cccs1 34a_100000724931_100010992444 [0,1,0,0,1,0|2,0,0]=4 14146 B12R1.37 FCCNCCCn1cccc1 34a_100000724931_200009814367 [0,1,0,0,1,0|2,0,0]=4 14147 B12R1.37 FCCOCCCc1cccs1 34a_100011713143_100011217306 [0,1,0,0,1,0|2,0,0]=4 14148 B12R1.37 FCCOCCCc1cccs1 7a_100011713143_100011217306 [0,1,0,0,1,0|2,0,0]=4 14149 B12R1.37 FCCOCCCc1ccsc1 34a_200000699776_100011217306 [0,1,0,0,1,0|2,0,0]=4 14150 B12R1.37 FCCOCCCc1ccsc1 7a_200000699776_100011217306 [0,1,0,0,1,0|2,0,0]=4 14151 B12R1.37 FCCOCCCn1cccc1 34a_100000179399_100011217306 [0,1,0,0,1,0|2,0,0]=4 14152 B12R1.37 FCCOCCCn1cccc1 7a_100000179399_100011217306 [0,1,0,0,1,0|2,0,0]=4 14153 B12R1.37 FCCSCCCc1cccs1 62a_100010992444_100011217306 [0,1,0,0,1,0|2,0,0]=4 14154 B12R1.37 FCCSCCCc1cccs1 62a_100011217306_100010992444 [0,1,0,0,1,0|2,0,0]=4 14155 B12R1.37 FCCSCCCn1cccc1 62a_100011217306_200009814367 [0,1,0,0,1,0|2,0,0]=4 14156 B12R1.37 FCCSCCCn1cccc1 62a_200009814367_100011217306 [0,1,0,0,1,0|2,0,0]=4 14157 B12R1.37 ICCCCOCc1ccsc1 34a_200012148704_100011261437 [0,1,0,0,1,0|2,0,0]=4 14158 B12R1.37 NCCCCOCc1ccsc1 34a_100000750430_100011261437 [0,1,0,0,1,0|2,0,0]=4 14159 B12R1.37 NCCCOCCc1cccs1 34a_100000182051_100000748579 [0,1,0,0,1,0|2,0,0]=4 14160 B12R1.37 NCCOCCCc1cccs1 34a_100000210304_100010992444 [0,1,0,0,1,0|2,0,0]=4 14161 B12R1.37 NCCOCCCn1cccc1 34a_100000210304_200009814367 [0,1,0,0,1,0|2,0,0]=4 14162 B12R1.37 NOCCOCCc1cccs1 34a_100000700252_100000748579 [0,1,0,0,1,0|2,0,0]=4 14163 B12R1.37 OCCCCCOc1ccsc1 34a_100000106738_100000746330 [0,1,0,0,1,0|1,0,0]=3 14164 B12R1.37 OCCCCCOc1ccsc1 7a_100000106738_100000746330 [0,1,0,0,1,0|1,0,0]=3 14165 B12R1.37 OCCCCCSc1c[nH]cn1 62a_100000746330_100000756875 [0,1,0,0,1,0|2,0,0]=4 14166 B12R1.37 OCCCCCSc1c[nH]cn1 62a_100000756875_100000746330 [0,1,0,0,1,0|2,0,0]=4 14167 B12R1.37 OCCCCCSc1cc[nH]n1 62a_100000062575_100000746330 [0,1,0,0,1,0|2,0,0]=4 14168 B12R1.37 OCCCCCSc1cc[nH]n1 62a_100000746330_100000062575 [0,1,0,0,1,0|2,0,0]=4 14169 B12R1.37 OCCCCCSc1ccco1 62a_100000746330_100009814098 [0,1,0,0,1,0|1,0,0]=3 14170 B12R1.37 OCCCCCSc1ccco1 62a_100009814098_100000746330 [0,1,0,0,1,0|1,0,0]=3 14171 B12R1.37 OCCCCCSc1cccs1 62a_100000746330_100011215356 [0,1,0,0,1,0|1,0,0]=3 14172 B12R1.37 OCCCCCSc1cccs1 62a_100011215356_100000746330 [0,1,0,0,1,0|1,0,0]=3 14173 B12R1.37 OCCCCCSc1ccoc1 62a_100000746330_100011215275 [0,1,0,0,1,0|1,0,0]=3 14174 B12R1.37 OCCCCCSc1ccoc1 62a_100011215275_100000746330 [0,1,0,0,1,0|1,0,0]=3 14175 B12R1.37 OCCCCCSc1ccon1 62a_100000746330_100009818083 [0,1,0,0,1,0|2,0,0]=4 14176 B12R1.37 OCCCCCSc1ccon1 62a_100009818083_100000746330 [0,1,0,0,1,0|2,0,0]=4 14177 B12R1.37 OCCCCCSc1ccsc1 62a_100000738268_100000746330 [0,1,0,0,1,0|1,0,0]=3 14178 B12R1.37 OCCCCCSc1ccsc1 62a_100000746330_100000738268 [0,1,0,0,1,0|1,0,0]=3 14179 B12R1.37 OCCCCCSc1ccsn1 62a_100000746330_100009818082 [0,1,0,0,1,0|2,0,0]=4 14180 B12R1.37 OCCCCCSc1ccsn1 62a_100009818082_100000746330 [0,1,0,0,1,0|2,0,0]=4 14181 B12R1.37 OCCCCCSc1cn[nH]c1 62a_100000238712_100000746330 [0,1,0,0,1,0|2,0,0]=4 14182 B12R1.37 OCCCCCSc1cn[nH]c1 62a_100000746330_100000238712 [0,1,0,0,1,0|2,0,0]=4 14183 B12R1.37 OCCCCCSc1cnco1 62a_100000746330_100020591547 [0,1,0,0,1,0|2,0,0]=4 14184 B12R1.37 OCCCCCSc1cnco1 62a_100020591547_100000746330 [0,1,0,0,1,0|2,0,0]=4 14185 B12R1.37 OCCCCCSc1cncs1 62a_100000746330_100011934649 [0,1,0,0,1,0|2,0,0]=4 14186 B12R1.37 OCCCCCSc1cncs1 62a_100011934649_100000746330 [0,1,0,0,1,0|2,0,0]=4 14187 B12R1.37 OCCCCCSc1cnoc1 62a_100000746330_100009815712 [0,1,0,0,1,0|2,0,0]=4 14188 B12R1.37 OCCCCCSc1cnoc1 62a_100009815712_100000746330 [0,1,0,0,1,0|2,0,0]=4 14189 B12R1.37 OCCCCCSc1cnsc1 62a_100000746330_100009815736 [0,1,0,0,1,0|2,0,0]=4 14190 B12R1.37 OCCCCCSc1cnsc1 62a_100009815736_100000746330 [0,1,0,0,1,0|2,0,0]=4 14191 B12R1.37 OCCCCCSc1cscn1 62a_100000746330_100000751502 [0,1,0,0,1,0|2,0,0]=4 14192 B12R1.37 OCCCCCSc1cscn1 62a_100000751502_100000746330 [0,1,0,0,1,0|2,0,0]=4 14193 B12R1.37 OCCCCCSc1ncc[nH]1 62a_100000746330_100025796157 [0,1,0,0,1,0|2,0,0]=4 14194 B12R1.37 OCCCCCSc1ncc[nH]1 62a_100025796157_100000746330 [0,1,0,0,1,0|2,0,0]=4 14195 B12R1.37 OCCCCCSc1ncco1 62a_100000746330_100011787736 [0,1,0,0,1,0|2,0,0]=4 14196 B12R1.37 OCCCCCSc1ncco1 62a_100011787736_100000746330 [0,1,0,0,1,0|2,0,0]=4 14197 B12R1.37 OCCCCCSc1nccs1 62a_100000211983_100000746330 [0,1,0,0,1,0|2,0,0]=4 14198 B12R1.37 OCCCCCSc1nccs1 62a_100000746330_100000211983 [0,1,0,0,1,0|2,0,0]=4 14199 B12R1.37 OCCCCNCc1c[nH]cn1 2230a_100000750430_100000707719 [0,1,0,0,1,0|2,0,0]=4 14200 B12R1.37 OCCCCNCc1c[nH]cn1 34a_100000750430_100000707719 [0,1,0,0,1,0|2,0,0]=4 14201 B12R1.37 OCCCCNCc1cc[nH]n1 207a_100000750430_100000738523 [0,1,0,0,1,0|2,0,0]=4 14202 B12R1.37 OCCCCNCc1cc[nH]n1 270004a_100000750430_100000738523 [0,1,0,0,1,0|2,0,0]=4 14203 B12R1.37 OCCCCNCc1ccco1 207a_100000750430_100000186105 [0,1,0,0,1,0|1,0,0]=3 14204 B12R1.37 OCCCCNCc1ccco1 2230a_100000185738_100000210776 [0,1,0,0,1,0|1,0,0]=3 14205 B12R1.37 OCCCCNCc1ccco1 270004a_100000750430_100000186105 [0,1,0,0,1,0|1,0,0]=3 14206 B12R1.37 OCCCCNCc1ccco1 34a_100000185738_100011216708 [0,1,0,0,1,0|1,0,0]=3 14207 B12R1.37 OCCCCNCc1cccs1 207a_100000750430_100000209959 [0,1,0,0,1,0|1,0,0]=3 14208 B12R1.37 OCCCCNCc1cccs1 2230a_100000211653_100000210776 [0,1,0,0,1,0|1,0,0]=3 14209 B12R1.37 OCCCCNCc1cccs1 270004a_100000750430_100000209959 [0,1,0,0,1,0|1,0,0]=3 14210 B12R1.37 OCCCCNCc1ccn[nH]1 2230a_100000750430_100000728653 [0,1,0,0,1,0|2,0,0]=4 14211 B12R1.37 OCCCCNCc1ccn[nH]1 34a_100000750430_100000728653 [0,1,0,0,1,0|2,0,0]=4 14212 B12R1.37 OCCCCNCc1ccoc1 207a_100000750430_100011215517 [0,1,0,0,1,0|1,0,0]=3 14213 B12R1.37 OCCCCNCc1ccoc1 2230a_100015206860_100000210776 [0,1,0,0,1,0|1,0,0]=3 14214 B12R1.37 OCCCCNCc1ccoc1 270004a_100000750430_100011215517 [0,1,0,0,1,0|1,0,0]=3 14215 B12R1.37 OCCCCNCc1ccoc1 34a_100015206860_100011216708 [0,1,0,0,1,0|1,0,0]=3 14216 B12R1.37 OCCCCNCc1ccon1 2230a_100000750430_100000234950 [0,1,0,0,1,0|2,0,0]=4 14217 B12R1.37 OCCCCNCc1ccon1 34a_100000750430_100000234950 [0,1,0,0,1,0|2,0,0]=4 14218 B12R1.37 OCCCCNCc1ccsc1 207a_100000750430_100000188534 [0,1,0,0,1,0|1,0,0]=3 14219 B12R1.37 OCCCCNCc1ccsc1 2230a_100000186416_100000210776 [0,1,0,0,1,0|1,0,0]=3 14220 B12R1.37 OCCCCNCc1ccsc1 2230a_100000750430_100011261437 [0,1,0,0,1,0|1,0,0]=3 14221 B12R1.37 OCCCCNCc1ccsc1 270004a_100000750430_100000188534 [0,1,0,0,1,0|1,0,0]=3 14222 B12R1.37 OCCCCNCc1ccsc1 34a_100000186416_100011216708 [0,1,0,0,1,0|1,0,0]=3 14223 B12R1.37 OCCCCNCc1ccsc1 34a_100000750430_100011261437 [0,1,0,0,1,0|1,0,0]=3 14224 B12R1.37 OCCCCNCc1cn[nH]c1 207a_100000750430_100016992096 [0,1,0,0,1,0|2,0,0]=4 14225 B12R1.37 OCCCCNCc1cn[nH]c1 270004a_100000750430_100016992096 [0,1,0,0,1,0|2,0,0]=4 14226 B12R1.37 OCCCCNCc1cnc[nH]1 207a_100000750430_100000742939 [0,1,0,0,1,0|2,0,0]=4 14227 B12R1.37 OCCCCNCc1cnco1 270004a_100000750430_100000064291 [0,1,0,0,1,0|2,0,0]=4 14228 B12R1.37 OCCCCNCc1cncs1 207a_100000750430_100000749870 [0,1,0,0,1,0|2,0,0]=4 14229 B12R1.37 OCCCCNCc1cncs1 2230a_100000750430_100015185245 [0,1,0,0,1,0|2,0,0]=4 14230 B12R1.37 OCCCCNCc1cncs1 2230a_100016987365_100000210776 [0,1,0,0,1,0|2,0,0]=4 14231 B12R1.37 OCCCCNCc1cncs1 270004a_100000750430_100000749870 [0,1,0,0,1,0|2,0,0]=4 14232 B12R1.37 OCCCCNCc1cncs1 34a_100000750430_100015185245 [0,1,0,0,1,0|2,0,0]=4 14233 B12R1.37 OCCCCNCc1cocn1 270004a_100000750430_100000050382 [0,1,0,0,1,0|2,0,0]=4 14234 B12R1.37 OCCCCNCc1cscn1 207a_100000750430_100000743575 [0,1,0,0,1,0|2,0,0]=4 14235 B12R1.37 OCCCCNCc1cscn1 2230a_100000750430_100000205941 [0,1,0,0,1,0|2,0,0]=4 14236 B12R1.37 OCCCCNCc1cscn1 2230a_100015185402_100000210776 [0,1,0,0,1,0|2,0,0]=4 14237 B12R1.37 OCCCCNCc1cscn1 270004a_100000750430_100000743575 [0,1,0,0,1,0|2,0,0]=4 14238 B12R1.37 OCCCCNCc1cscn1 34a_100000750430_100000205941 [0,1,0,0,1,0|2,0,0]=4 14239 B12R1.37 OCCCCNCc1ncc[nH]1 207a_100000750430_100000743867 [0,1,0,0,1,0|2,0,0]=4 14240 B12R1.37 OCCCCNCc1ncc[nH]1 2230a_100000750430_100016991755 [0,1,0,0,1,0|2,0,0]=4 14241 B12R1.37 OCCCCNCc1ncc[nH]1 34a_100000750430_100016991755 [0,1,0,0,1,0|2,0,0]=4 14242 B12R1.37 OCCCCNCc1ncco1 2230a_100000750430_103436540062 [0,1,0,0,1,0|2,0,0]=4 14243 B12R1.37 OCCCCNCc1ncco1 2230a_100016994969_100000210776 [0,1,0,0,1,0|2,0,0]=4 14244 B12R1.37 OCCCCNCc1ncco1 270004a_100000750430_100000064290 [0,1,0,0,1,0|2,0,0]=4 14245 B12R1.37 OCCCCNCc1ncco1 34a_100000750430_103436540062 [0,1,0,0,1,0|2,0,0]=4 14246 B12R1.37 OCCCCNCc1nccs1 207a_100000750430_100000750902 [0,1,0,0,1,0|2,0,0]=4 14247 B12R1.37 OCCCCNCc1nccs1 2230a_100000740555_100000210776 [0,1,0,0,1,0|2,0,0]=4 14248 B12R1.37 OCCCCNCc1nccs1 2230a_100000750430_100015184050 [0,1,0,0,1,0|2,0,0]=4 14249 B12R1.37 OCCCCNCc1nccs1 270004a_100000750430_100000750902 [0,1,0,0,1,0|2,0,0]=4 14250 B12R1.37 OCCCCNCc1nccs1 34a_100000750430_100015184050 [0,1,0,0,1,0|2,0,0]=4 14251 B12R1.37 OCCCCOCc1ccco1 34a_100000210059_100011216708 [0,1,0,0,1,0|1,0,0]=3 14252 B12R1.37 OCCCCOCc1cccs1 34a_100000211240_100011216708 [0,1,0,0,1,0|1,0,0]=3 14253 B12R1.37 OCCCCOCc1ccno1 34a_100000740478_100011216708 [0,1,0,0,1,0|2,0,0]=4 14254 B12R1.37 OCCCCOCc1ccoc1 34a_100011215357_100011216708 [0,1,0,0,1,0|1,0,0]=3 14255 B12R1.37 OCCCCOCc1ccsc1 34a_100011215551_100011216708 [0,1,0,0,1,0|1,0,0]=3 14256 B12R1.37 OCCCCOCc1ncco1 34a_100000062594_100011216708 [0,1,0,0,1,0|2,0,0]=4 14257 B12R1.37 OCCCCOCn1cccn1 34a_100000731028_100011216708 [0,1,0,0,1,0|2,0,0]=4 14258 B12R1.37 OCCCCSCc1c[nH]cn1 62a_100000210776_100000707719 [0,1,0,0,1,0|2,0,0]=4 14259 B12R1.37 OCCCCSCc1c[nH]cn1 62a_100000707719_100000210776 [0,1,0,0,1,0|2,0,0]=4 14260 B12R1.37 OCCCCSCc1ccn[nH]1 62a_100000210776_100000728653 [0,1,0,0,1,0|2,0,0]=4 14261 B12R1.37 OCCCCSCc1ccn[nH]1 62a_100000728653_100000210776 [0,1,0,0,1,0|2,0,0]=4 14262 B12R1.37 OCCCCSCc1ccon1 62a_100000210776_100000234950 [0,1,0,0,1,0|2,0,0]=4 14263 B12R1.37 OCCCCSCc1ccon1 62a_100000234950_100000210776 [0,1,0,0,1,0|2,0,0]=4 14264 B12R1.37 OCCCCSCc1ccsc1 62a_100000210776_100011233845 [0,1,0,0,1,0|1,0,0]=3 14265 B12R1.37 OCCCCSCc1ccsc1 62a_100011261437_100000210776 [0,1,0,0,1,0|1,0,0]=3 14266 B12R1.37 OCCCCSCc1cncs1 62a_100000210776_100015185245 [0,1,0,0,1,0|2,0,0]=4 14267 B12R1.37 OCCCCSCc1cncs1 62a_100015185245_100000210776 [0,1,0,0,1,0|2,0,0]=4 14268 B12R1.37 OCCCCSCc1cscn1 62a_100000205941_100000210776 [0,1,0,0,1,0|2,0,0]=4 14269 B12R1.37 OCCCCSCc1cscn1 62a_100000210776_100000205941 [0,1,0,0,1,0|2,0,0]=4 14270 B12R1.37 OCCCCSCc1ncc[nH]1 62a_100000210776_100016991755 [0,1,0,0,1,0|2,0,0]=4 14271 B12R1.37 OCCCCSCc1ncc[nH]1 62a_100016991755_100000210776 [0,1,0,0,1,0|2,0,0]=4 14272 B12R1.37 OCCCCSCc1ncco1 62a_100000210776_103436540062 [0,1,0,0,1,0|2,0,0]=4 14273 B12R1.37 OCCCCSCc1ncco1 62a_103436540062_100000210776 [0,1,0,0,1,0|2,0,0]=4 14274 B12R1.37 OCCCCSCc1nccs1 62a_100000210776_100015184050 [0,1,0,0,1,0|2,0,0]=4 14275 B12R1.37 OCCCCSCc1nccs1 62a_100015184050_100000210776 [0,1,0,0,1,0|2,0,0]=4 14276 B12R1.37 OCCCNCCc1ccco1 2230a_100000694680_100000230001 [0,1,0,0,1,0|1,0,0]=3 14277 B12R1.37 OCCCNCCc1ccco1 34a_100000694680_100000230001 [0,1,0,0,1,0|1,0,0]=3 14278 B12R1.37 OCCCNCCc1cccs1 2230a_100000203755_100000230001 [0,1,0,0,1,0|1,0,0]=3 14279 B12R1.37 OCCCNCCc1cccs1 34a_100000203755_100000230001 [0,1,0,0,1,0|1,0,0]=3 14280 B12R1.37 OCCCNCCc1ccsc1 2230a_100000692642_100000230001 [0,1,0,0,1,0|1,0,0]=3 14281 B12R1.37 OCCCNCCc1ccsc1 34a_100000692642_100000230001 [0,1,0,0,1,0|1,0,0]=3 14282 B12R1.37 OCCCNCCc1cn[nH]c1 2230a_100000732747_100000230001 [0,1,0,0,1,0|2,0,0]=4 14283 B12R1.37 OCCCNCCc1cncs1 2230a_100016991637_100000230001 [0,1,0,0,1,0|2,0,0]=4 14284 B12R1.37 OCCCNCCc1nccs1 2230a_100015186391_100000230001 [0,1,0,0,1,0|2,0,0]=4 14285 B12R1.37 OCCCNCCn1cccc1 34a_100011368172_100000230001 [0,1,0,0,1,0|1,0,0]=3 14286 B12R1.37 OCCCNCCn1cccn1 2230a_100011200920_100000230001 [0,1,0,0,1,0|2,0,0]=4 14287 B12R1.37 OCCCOCC[n+]1ccsc1 34a_200000100414_100000230001 [0,1,0,0,1,0|2,0,0]=4 14288 B12R1.37 OCCCOCCc1cccs1 34a_100011216825_100000230001 [0,1,0,0,1,0|1,0,0]=3 14289 B12R1.37 OCCCOCCc1cccs1 7a_100011216825_100011215043 [0,1,0,0,1,0|1,0,0]=3 14290 B12R1.37 OCCCOCCc1ccsc1 34a_100000748821_100000230001 [0,1,0,0,1,0|1,0,0]=3 14291 B12R1.37 OCCCOCCc1cn[nH]c1 34a_100000766553_100000230001 [0,1,0,0,1,0|2,0,0]=4 14292 B12R1.37 OCCCOCCc1cnoc1 34a_100000732699_100000230001 [0,1,0,0,1,0|2,0,0]=4 14293 B12R1.37 OCCCOCCc1ncc[nH]1 34a_103549771195_100000230001 [0,1,0,0,1,0|2,0,0]=4 14294 B12R1.37 OCCCOCCn1cccc1 34a_100000179382_100000230001 [0,1,0,0,1,0|1,0,0]=3 14295 B12R1.37 OCCCOCCn1cccn1 34a_100000743371_100000230001 [0,1,0,0,1,0|2,0,0]=4 14296 B12R1.37 OCCCOCCn1ccnc1 34a_100000719764_100000230001 [0,1,0,0,1,0|2,0,0]=4 14297 B12R1.37 OCCCSCCc1c[nH]cn1 62a_100011215043_100020628418 [0,1,0,0,1,0|2,0,0]=4 14298 B12R1.37 OCCCSCCc1c[nH]cn1 62a_100020628418_100011215043 [0,1,0,0,1,0|2,0,0]=4 14299 B12R1.37 OCCCSCCc1cccs1 62a_100000748579_100011215043 [0,1,0,0,1,0|1,0,0]=3 14300 B12R1.37 OCCCSCCc1cccs1 62a_100011215043_100000748579 [0,1,0,0,1,0|1,0,0]=3 14301 B12R1.37 OCCCSCCc1cn[nH]c1 62a_100000743252_100011215043 [0,1,0,0,1,0|2,0,0]=4 14302 B12R1.37 OCCCSCCc1cn[nH]c1 62a_100011215043_100000743252 [0,1,0,0,1,0|2,0,0]=4 14303 B12R1.37 OCCCSCCn1cccc1 62a_100011215043_200000035178 [0,1,0,0,1,0|1,0,0]=3 14304 B12R1.37 OCCCSCCn1cccc1 62a_200009811947_100011215043 [0,1,0,0,1,0|1,0,0]=3 14305 B12R1.37 OCCCSCCn1cccn1 62a_100011215043_100000685285 [0,1,0,0,1,0|2,0,0]=4 14306 B12R1.37 OCCCSCCn1cccn1 62a_100015204718_100011215043 [0,1,0,0,1,0|2,0,0]=4 14307 B12R1.37 OCCCSCCn1ccnc1 62a_100000702546_100011215043 [0,1,0,0,1,0|2,0,0]=4 14308 B12R1.37 OCCCSCCn1ccnc1 62a_100011215043_100000702546 [0,1,0,0,1,0|2,0,0]=4 14309 B12R1.37 OCCNCCCc1cccs1 2230a_100016997473_100010992444 [0,1,0,0,1,0|1,0,0]=3 14310 B12R1.37 OCCNCCCc1cccs1 34a_100016990907_100010992444 [0,1,0,0,1,0|1,0,0]=3 14311 B12R1.37 OCCNCCCn1cccc1 2230a_100016997473_200009814367 [0,1,0,0,1,0|1,0,0]=3 14312 B12R1.37 OCCNCCCn1cccc1 34a_100016990907_200009814367 [0,1,0,0,1,0|1,0,0]=3 14313 B12R1.37 OCCNCCCn1cccn1 2230a_100016997473_100000739983 [0,1,0,0,1,0|2,0,0]=4 14314 B12R1.37 OCCNCCCn1ccnc1 2230a_100016997473_100000756272 [0,1,0,0,1,0|2,0,0]=4 14315 B12R1.37 OCCNCCCn1ccnc1 34a_100016990907_100000756272 [0,1,0,0,1,0|2,0,0]=4 14316 B12R1.37 OCCOCCCc1cccs1 34a_100011713143_100000211926 [0,1,0,0,1,0|1,0,0]=3 14317 B12R1.37 OCCOCCCc1cccs1 7a_100011713143_100000211926 [0,1,0,0,1,0|1,0,0]=3 14318 B12R1.37 OCCOCCCc1ccsc1 34a_200000699776_100000211926 [0,1,0,0,1,0|1,0,0]=3 14319 B12R1.37 OCCOCCCc1ccsc1 7a_200000699776_100000211926 [0,1,0,0,1,0|1,0,0]=3 14320 B12R1.37 OCCOCCCc1cnoc1 34a_100011738005_100000211926 [0,1,0,0,1,0|2,0,0]=4 14321 B12R1.37 OCCOCCCn1cccc1 34a_100000179399_100000211926 [0,1,0,0,1,0|1,0,0]=3 14322 B12R1.37 OCCOCCCn1cccc1 7a_100000179399_100000211926 [0,1,0,0,1,0|1,0,0]=3 14323 B12R1.37 OCCOCCCn1cccn1 34a_100000753614_100000211926 [0,1,0,0,1,0|2,0,0]=4 14324 B12R1.37 OCCOCCCn1ccnc1 34a_100000240236_100000211926 [0,1,0,0,1,0|2,0,0]=4 14325 B12R1.37 OCCOCCOc1ccsc1 34a_100000106738_100000692535 [0,1,0,0,1,0|2,0,0]=4 14326 B12R1.37 OCCOCCOc1ccsc1 7a_100000106738_100011215305 [0,1,0,0,1,0|2,0,0]=4 14327 B12R1.37 OCCOCCSc1ccco1 62a_100009814098_100011215305 [0,1,0,0,1,0|2,0,0]=4 14328 B12R1.37 OCCOCCSc1ccco1 62a_100011215305_100009814098 [0,1,0,0,1,0|2,0,0]=4 14329 B12R1.37 OCCOCCSc1cccs1 62a_100011215305_100011215356 [0,1,0,0,1,0|2,0,0]=4 14330 B12R1.37 OCCOCCSc1cccs1 62a_100011215356_100011215305 [0,1,0,0,1,0|2,0,0]=4 14331 B12R1.37 OCCOCCSc1ccoc1 62a_100011215275_100011215305 [0,1,0,0,1,0|2,0,0]=4 14332 B12R1.37 OCCOCCSc1ccoc1 62a_100011215305_100011215275 [0,1,0,0,1,0|2,0,0]=4 14333 B12R1.37 OCCOCCSc1ccsc1 62a_100000738268_100011215305 [0,1,0,0,1,0|2,0,0]=4 14334 B12R1.37 OCCOCCSc1ccsc1 62a_100011215305_100000738268 [0,1,0,0,1,0|2,0,0]=4 14335 B12R1.37 OCCSCCCc1cccs1 62a_100000211926_100010992444 [0,1,0,0,1,0|1,0,0]=3 14336 B12R1.37 OCCSCCCc1cccs1 62a_100010992444_100000211926 [0,1,0,0,1,0|1,0,0]=3 14337 B12R1.37 OCCSCCCn1cccc1 62a_100000211926_200009814367 [0,1,0,0,1,0|1,0,0]=3 14338 B12R1.37 OCCSCCCn1cccc1 62a_200009814367_100000211926 [0,1,0,0,1,0|1,0,0]=3 14339 B12R1.37 OCCSCCCn1cccn1 62a_100000211926_100000739983 [0,1,0,0,1,0|2,0,0]=4 14340 B12R1.37 OCCSCCCn1cccn1 62a_100000739983_100000211926 [0,1,0,0,1,0|2,0,0]=4 14341 B12R1.37 OCCSCCCn1ccnc1 62a_100000211926_100000756272 [0,1,0,0,1,0|2,0,0]=4 14342 B12R1.37 OCCSCCCn1ccnc1 62a_100000756272_100000211926 [0,1,0,0,1,0|2,0,0]=4 14343 B12R1.37 [13CH3]OCCCNCc1cccs1 34a_100015187169_200025704644 [0,1,0,0,1,0|2,0,0]=4 14344 B12R1.51 CC(CCO)NCc1ccco1 2230a_100000185738_100009893172 [0,1,0,0,1,0|2,0,0]=4 14345 B12R1.51 CC(CCO)NCc1ccco1 34a_100000185738_100009893172 [0,1,0,0,1,0|2,0,0]=4 14346 B12R1.51 CC(CCO)NCc1cccs1 2230a_100000211653_100009893172 [0,1,0,0,1,0|2,0,0]=4 14347 B12R1.51 CC(CCO)NCc1ccoc1 2230a_100015206860_100009893172 [0,1,0,0,1,0|2,0,0]=4 14348 B12R1.51 CC(CCO)NCc1ccoc1 34a_100015206860_100009893172 [0,1,0,0,1,0|2,0,0]=4 14349 B12R1.51 CC(CCO)NCc1ccsc1 2230a_100000186416_100009893172 [0,1,0,0,1,0|2,0,0]=4 14350 B12R1.51 CC(CCO)NCc1ccsc1 34a_100000186416_100009893172 [0,1,0,0,1,0|2,0,0]=4 14351 B12R1.51 CC(CCO)OCc1ccco1 34a_100000210059_100009893172 [0,1,0,0,1,0|2,0,0]=4 14352 B12R1.51 CC(CCO)OCc1cccs1 34a_100000211240_100009893172 [0,1,0,0,1,0|2,0,0]=4 14353 B12R1.51 CC(CCO)OCc1ccoc1 34a_100011215357_100009893172 [0,1,0,0,1,0|2,0,0]=4 14354 B12R1.51 CC(CCO)OCc1ccsc1 34a_100011215551_100009893172 [0,1,0,0,1,0|2,0,0]=4 14355 B12R1.51 CC(CCO)SCc1ccsc1 62a_100009893172_100011233845 [0,1,0,0,1,0|2,0,0]=4 14356 B12R1.51 CC(CCO)SCc1ccsc1 62a_100011261437_100009893172 [0,1,0,0,1,0|2,0,0]=4 14357 B12R1.51 CN(CCO)CCc1cccs1 2230a_100000210263_100000748579 [0,1,0,0,1,0|2,0,0]=4 14358 B12R1.51 CN(CCO)CCc1cccs1 269982a_100000210263_100000748579 [0,1,0,0,1,0|2,0,0]=4 14359 B12R1.51 CN(CCO)CCn1cccc1 2230a_100000210263_200009811947 [0,1,0,0,1,0|2,0,0]=4 14360 B12R1.51 CN(CCO)CCn1cccc1 269982a_100000210263_200000035178 [0,1,0,0,1,0|2,0,0]=4 14361 B12R1.51 C[C@H](CCO)NCc1ccco1 207a_100000706166_100000186105 [0,1,0,0,1,0|2,0,0]=4 14362 B12R1.51 C[C@H](CCO)NCc1ccco1 270004a_100000706166_100000186105 [0,1,0,0,1,0|2,0,0]=4 14363 B12R1.51 C[C@H](CCO)NCc1cccs1 207a_100000706166_100000209959 [0,1,0,0,1,0|2,0,0]=4 14364 B12R1.51 C[C@H](CCO)NCc1cccs1 270004a_100000706166_100000209959 [0,1,0,0,1,0|2,0,0]=4 14365 B12R1.51 C[C@H](CCO)NCc1ccoc1 207a_100000706166_100011215517 [0,1,0,0,1,0|2,0,0]=4 14366 B12R1.51 C[C@H](CCO)NCc1ccoc1 270004a_100000706166_100011215517 [0,1,0,0,1,0|2,0,0]=4 14367 B12R1.51 C[C@H](CCO)NCc1ccsc1 207a_100000706166_100000188534 [0,1,0,0,1,0|2,0,0]=4 14368 B12R1.51 C[C@H](CCO)NCc1ccsc1 2230a_100000706166_100011261437 [0,1,0,0,1,0|2,0,0]=4 14369 B12R1.51 C[C@H](CCO)NCc1ccsc1 270004a_100000706166_100000188534 [0,1,0,0,1,0|2,0,0]=4 14370 B12R1.51 C[C@H](CCO)NCc1ccsc1 34a_100000706166_100011261437 [0,1,0,0,1,0|2,0,0]=4 14371 B12R1.51 O=C(CCO)CCc1cc[nH]c1 1458a_200000093579_100000211926 [0,1,0,0,1,0|1,0,1]=4 14372 B12R1.51 O=C(CCO)CCc1ccc[nH]1 1458a_200011998680_100000211926 [0,1,0,0,1,0|1,0,1]=4 14373 B12R1.51 O=C(CCO)CCc1ccco1 1458a_100000185103_100000211926 [0,1,0,0,1,0|1,0,1]=4 14374 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100000185280_100000211926 [0,1,0,0,1,0|1,0,1]=4 14375 B12R1.51 O=C(CCO)CCc1cccs1 1458a_100011216618_100000748579 [0,1,0,0,1,0|1,0,1]=4 14376 B12R1.51 O=C(CCO)CCc1ccsc1 1458a_100000195497_100000211926 [0,1,0,0,1,0|1,0,1]=4 14377 B12R1.51 O=C(CCO)CCn1cccc1 1458a_100011196273_100000211926 [0,1,0,0,1,0|1,0,1]=4 14378 B12R1.51 O=C(CCO)CCn1cccc1 1458a_100011216618_200000035178 [0,1,0,0,1,0|1,0,1]=4 14379 B12R1.53 CC(Cc1ccco1)NCCO 270004a_100000210304_100011216958 [0,1,0,0,1,0|2,0,0]=4 14380 B12R1.53 CC(Cc1ccco1)OCCO 34a_100011803939_100000211926 [0,1,0,0,1,0|2,0,0]=4 14381 B12R1.53 CC(Cc1ccco1)OCCO 7a_100011803939_100000211926 [0,1,0,0,1,0|2,0,0]=4 14382 B12R1.53 CC(Cc1cccs1)NCCO 2230a_100000751415_100000211926 [0,1,0,0,1,0|2,0,0]=4 14383 B12R1.53 CC(Cc1ccsc1)NCCO 2230a_100000743546_100000211926 [0,1,0,0,1,0|2,0,0]=4 14384 B12R1.53 CC(Cc1ccsc1)NCCO 34a_100000743546_100000211926 [0,1,0,0,1,0|2,0,0]=4 14385 B12R1.53 CN(CCCO)Cc1ccco1 2230a_100000185268_100000230001 [0,1,0,0,1,0|2,0,0]=4 14386 B12R1.53 CN(CCCO)Cc1ccco1 269982a_100000185268_100011215043 [0,1,0,0,1,0|2,0,0]=4 14387 B12R1.53 CN(CCCO)Cc1ccco1 270004a_100000213112_100000186105 [0,1,0,0,1,0|2,0,0]=4 14388 B12R1.53 CN(CCCO)Cc1cccs1 2230a_100000184426_100000230001 [0,1,0,0,1,0|2,0,0]=4 14389 B12R1.53 CN(CCCO)Cc1cccs1 2230a_100015187169_200000210301 [0,1,0,0,1,0|2,0,0]=4 14390 B12R1.53 CN(CCCO)Cc1cccs1 269982a_100000184426_100011215043 [0,1,0,0,1,0|2,0,0]=4 14391 B12R1.53 CN(CCCO)Cc1cccs1 269982a_100015187169_200000210301 [0,1,0,0,1,0|2,0,0]=4 14392 B12R1.53 CN(CCCO)Cc1cccs1 270004a_100000213112_100000209959 [0,1,0,0,1,0|2,0,0]=4 14393 B12R1.53 CN(CCCO)Cc1ccoc1 270004a_100000213112_100011215517 [0,1,0,0,1,0|2,0,0]=4 14394 B12R1.53 CN(CCCO)Cc1ccsc1 2230a_100000213112_100011261437 [0,1,0,0,1,0|2,0,0]=4 14395 B12R1.53 CN(CCCO)Cc1ccsc1 2230a_100020654213_100000230001 [0,1,0,0,1,0|2,0,0]=4 14396 B12R1.53 CN(CCCO)Cc1ccsc1 269982a_100000213112_100011233845 [0,1,0,0,1,0|2,0,0]=4 14397 B12R1.53 CN(CCCO)Cc1ccsc1 269982a_100020654213_100011215043 [0,1,0,0,1,0|2,0,0]=4 14398 B12R1.53 CN(CCCO)Cc1ccsc1 270004a_100000213112_100000188534 [0,1,0,0,1,0|2,0,0]=4 14399 B12R1.53 O=C(CCCO)Cc1ccc[nH]1 1458a_100000238377_100011215043 [0,1,0,0,1,0|1,0,1]=4 14400 B12R1.53 O=C(CCCO)Cc1ccco1 1458a_100011217309_100011215043 [0,1,0,0,1,0|1,0,1]=4 14401 B12R1.53 O=C(CCCO)Cc1cccs1 1458a_100000210189_100011215043 [0,1,0,0,1,0|1,0,1]=4 14402 B12R1.53 O=C(CCCO)Cc1ccoc1 1458a_100000684892_100011215043 [0,1,0,0,1,0|1,0,1]=4 14403 B12R1.53 O=C(CCCO)Cc1ccsc1 1458a_100000184062_100011215043 [0,1,0,0,1,0|1,0,1]=4 14404 B12R1.53 O=C(CCCO)Cn1cccc1 1458a_100011196272_100011215043 [0,1,0,0,1,0|1,0,1]=4 14405 B12R1.53 [13CH3]N(CCCO)Cc1cccs1 2230a_100015187169_200025704644 [0,1,0,0,1,0|2,0,0]=4 14406 B12R1.53 [13CH3]N(CCCO)Cc1cccs1 269982a_100015187169_200025704644 [0,1,0,0,1,0|2,0,0]=4 14407 B12R1.255 CC(O)CCCOc1ccsc1 34a_100000106738_200000718107 [0,1,0,0,1,0|2,0,0]=4 14408 B12R1.255 CC(O)CCCOc1ccsc1 7a_100000106738_200000718107 [0,1,0,0,1,0|2,0,0]=4 14409 B12R1.255 CC(O)CCCSc1ccco1 62a_100009814098_200000718107 [0,1,0,0,1,0|2,0,0]=4 14410 B12R1.255 CC(O)CCCSc1ccco1 62a_200000718107_100009814098 [0,1,0,0,1,0|2,0,0]=4 14411 B12R1.255 CC(O)CCCSc1cccs1 62a_100011215356_200000718107 [0,1,0,0,1,0|2,0,0]=4 14412 B12R1.255 CC(O)CCCSc1cccs1 62a_200000718107_100011215356 [0,1,0,0,1,0|2,0,0]=4 14413 B12R1.255 CC(O)CCCSc1ccoc1 62a_100011215275_200000718107 [0,1,0,0,1,0|2,0,0]=4 14414 B12R1.255 CC(O)CCCSc1ccoc1 62a_200000718107_100011215275 [0,1,0,0,1,0|2,0,0]=4 14415 B12R1.255 CC(O)CCCSc1ccsc1 62a_100000738268_200000718107 [0,1,0,0,1,0|2,0,0]=4 14416 B12R1.255 CC(O)CCCSc1ccsc1 62a_200000718107_100000738268 [0,1,0,0,1,0|2,0,0]=4 14417 B12R1.255 CC(O)CCNCc1ccco1 207a_200000755665_100000186105 [0,1,0,0,1,0|2,0,0]=4 14418 B12R1.255 CC(O)CCNCc1ccco1 2230a_100000185738_100012276601 [0,1,0,0,1,0|2,0,0]=4 14419 B12R1.255 CC(O)CCNCc1ccco1 270004a_200000755665_100000186105 [0,1,0,0,1,0|2,0,0]=4 14420 B12R1.255 CC(O)CCNCc1ccco1 34a_100000185738_100012276601 [0,1,0,0,1,0|2,0,0]=4 14421 B12R1.255 CC(O)CCNCc1cccs1 207a_200000755665_100000209959 [0,1,0,0,1,0|2,0,0]=4 14422 B12R1.255 CC(O)CCNCc1cccs1 2230a_100000211653_100012276601 [0,1,0,0,1,0|2,0,0]=4 14423 B12R1.255 CC(O)CCNCc1cccs1 270004a_200000755665_100000209959 [0,1,0,0,1,0|2,0,0]=4 14424 B12R1.255 CC(O)CCNCc1ccoc1 207a_200000755665_100011215517 [0,1,0,0,1,0|2,0,0]=4 14425 B12R1.255 CC(O)CCNCc1ccoc1 2230a_100015206860_100012276601 [0,1,0,0,1,0|2,0,0]=4 14426 B12R1.255 CC(O)CCNCc1ccoc1 270004a_200000755665_100011215517 [0,1,0,0,1,0|2,0,0]=4 14427 B12R1.255 CC(O)CCNCc1ccoc1 34a_100015206860_100012276601 [0,1,0,0,1,0|2,0,0]=4 14428 B12R1.255 CC(O)CCNCc1ccsc1 207a_200000755665_100000188534 [0,1,0,0,1,0|2,0,0]=4 14429 B12R1.255 CC(O)CCNCc1ccsc1 2230a_100000186416_100012276601 [0,1,0,0,1,0|2,0,0]=4 14430 B12R1.255 CC(O)CCNCc1ccsc1 2230a_200000755665_100011261437 [0,1,0,0,1,0|2,0,0]=4 14431 B12R1.255 CC(O)CCNCc1ccsc1 270004a_200000755665_100000188534 [0,1,0,0,1,0|2,0,0]=4 14432 B12R1.255 CC(O)CCNCc1ccsc1 34a_100000186416_100012276601 [0,1,0,0,1,0|2,0,0]=4 14433 B12R1.255 CC(O)CCOCc1ccco1 34a_100000210059_100012276601 [0,1,0,0,1,0|2,0,0]=4 14434 B12R1.255 CC(O)CCOCc1cccs1 34a_100000211240_100012276601 [0,1,0,0,1,0|2,0,0]=4 14435 B12R1.255 CC(O)CCOCc1ccoc1 34a_100011215357_100012276601 [0,1,0,0,1,0|2,0,0]=4 14436 B12R1.255 CC(O)CCOCc1ccsc1 34a_100011215551_100012276601 [0,1,0,0,1,0|2,0,0]=4 14437 B12R1.255 CC(O)CCSCc1ccsc1 62a_100011261437_100012276601 [0,1,0,0,1,0|2,0,0]=4 14438 B12R1.255 CC(O)CCSCc1ccsc1 62a_100012276601_100011233845 [0,1,0,0,1,0|2,0,0]=4 14439 B12R1.255 CC(O)CNCCc1ccco1 2230a_100000694680_100011218427 [0,1,0,0,1,0|2,0,0]=4 14440 B12R1.255 CC(O)CNCCc1ccco1 34a_100000694680_100011218427 [0,1,0,0,1,0|2,0,0]=4 14441 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000203755_100011218427 [0,1,0,0,1,0|2,0,0]=4 14442 B12R1.255 CC(O)CNCCc1cccs1 2230a_100000210904_100000748579 [0,1,0,0,1,0|2,0,0]=4 14443 B12R1.255 CC(O)CNCCc1cccs1 34a_100000203755_100011218427 [0,1,0,0,1,0|2,0,0]=4 14444 B12R1.255 CC(O)CNCCc1cccs1 34a_100000210904_100000748579 [0,1,0,0,1,0|2,0,0]=4 14445 B12R1.255 CC(O)CNCCc1ccsc1 2230a_100000692642_100011218427 [0,1,0,0,1,0|2,0,0]=4 14446 B12R1.255 CC(O)CNCCc1ccsc1 34a_100000692642_100011218427 [0,1,0,0,1,0|2,0,0]=4 14447 B12R1.255 CC(O)CNCCn1cccc1 2230a_100000210904_200009811947 [0,1,0,0,1,0|2,0,0]=4 14448 B12R1.255 CC(O)CNCCn1cccc1 34a_100011368172_100011218427 [0,1,0,0,1,0|2,0,0]=4 14449 B12R1.255 CC(O)COCCc1cccs1 34a_100011216825_100011218427 [0,1,0,0,1,0|2,0,0]=4 14450 B12R1.255 CC(O)COCCc1cccs1 7a_100011216825_100011218427 [0,1,0,0,1,0|2,0,0]=4 14451 B12R1.255 CC(O)COCCc1ccsc1 34a_100000748821_100011218427 [0,1,0,0,1,0|2,0,0]=4 14452 B12R1.255 CC(O)COCCn1cccc1 34a_100000179382_100011218427 [0,1,0,0,1,0|2,0,0]=4 14453 B12R1.255 CC(O)CSCCc1cccs1 62a_100000748579_100011218427 [0,1,0,0,1,0|2,0,0]=4 14454 B12R1.255 CC(O)CSCCc1cccs1 62a_100011218427_100000748579 [0,1,0,0,1,0|2,0,0]=4 14455 B12R1.255 CC(O)CSCCn1cccc1 62a_100011218427_200000035178 [0,1,0,0,1,0|2,0,0]=4 14456 B12R1.255 CC(O)CSCCn1cccc1 62a_200009811947_100011218427 [0,1,0,0,1,0|2,0,0]=4 14457 B12R1.255 C[C@@H](O)CNCCc1ccco1 2230a_100000694680_100009817552 [0,1,0,0,1,0|2,0,0]=4 14458 B12R1.255 C[C@@H](O)CNCCc1ccco1 34a_100000694680_100009817552 [0,1,0,0,1,0|2,0,0]=4 14459 B12R1.255 C[C@@H](O)CNCCc1cccs1 2230a_100000203755_100009817552 [0,1,0,0,1,0|2,0,0]=4 14460 B12R1.255 C[C@@H](O)CNCCc1cccs1 34a_100000203755_100009817552 [0,1,0,0,1,0|2,0,0]=4 14461 B12R1.255 C[C@@H](O)CNCCc1ccsc1 2230a_100000692642_100009817552 [0,1,0,0,1,0|2,0,0]=4 14462 B12R1.255 C[C@@H](O)CNCCc1ccsc1 34a_100000692642_100009817552 [0,1,0,0,1,0|2,0,0]=4 14463 B12R1.255 C[C@@H](O)CNCCn1cccc1 34a_100011368172_100009817552 [0,1,0,0,1,0|2,0,0]=4 14464 B12R1.255 C[C@@H](O)COCCc1cccs1 34a_100011216825_100009817552 [0,1,0,0,1,0|2,0,0]=4 14465 B12R1.255 C[C@@H](O)COCCc1cccs1 7a_100011216825_100009817552 [0,1,0,0,1,0|2,0,0]=4 14466 B12R1.255 C[C@@H](O)COCCc1ccsc1 34a_100000748821_100009817552 [0,1,0,0,1,0|2,0,0]=4 14467 B12R1.255 C[C@@H](O)COCCn1cccc1 34a_100000179382_100009817552 [0,1,0,0,1,0|2,0,0]=4 14468 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100000748579_100009817552 [0,1,0,0,1,0|2,0,0]=4 14469 B12R1.255 C[C@@H](O)CSCCc1cccs1 62a_100009817552_100000748579 [0,1,0,0,1,0|2,0,0]=4 14470 B12R1.255 C[C@@H](O)CSCCn1cccc1 62a_100009817552_200000035178 [0,1,0,0,1,0|2,0,0]=4 14471 B12R1.255 C[C@@H](O)CSCCn1cccc1 62a_200009811947_100009817552 [0,1,0,0,1,0|2,0,0]=4 14472 B12R1.372 CCCCCCc1ccsc1O 271570a_203496583355_100009817158 [0,1,0,0,1,0|2,0,0]=4 14473 B12R1.372 Cc1ccoc1CNCCCO 207a_100000182051_100000763527 [0,1,0,0,1,0|2,0,0]=4 14474 B12R1.372 Cc1ccoc1CNCCCO 270004a_100000182051_100000763527 [0,1,0,0,1,0|2,0,0]=4 14475 B12R1.372 Cc1ccoc1COCCCO 34a_100011273948_100000230001 [0,1,0,0,1,0|2,0,0]=4 14476 B12R1.372 Cc1ccoc1COCCCO 7a_100011273948_100011215043 [0,1,0,0,1,0|2,0,0]=4 14477 B12R1.372 Cc1ccsc1CNCCCO 207a_100000182051_100000210881 [0,1,0,0,1,0|2,0,0]=4 14478 B12R1.372 Cc1ccsc1CNCCCO 2230a_100000238519_100000230001 [0,1,0,0,1,0|2,0,0]=4 14479 B12R1.372 Cc1ccsc1CNCCCO 270004a_100000182051_100000210881 [0,1,0,0,1,0|2,0,0]=4 14480 B12R1.372 Cc1ccsc1CNCCCO 34a_100000238519_100000230001 [0,1,0,0,1,0|2,0,0]=4 14481 B12R1.372 Cc1ccsc1COCCCO 34a_100000238368_100000230001 [0,1,0,0,1,0|2,0,0]=4 14482 B12R1.372 Cc1ccsc1COCCCO 7a_100000238368_100011215043 [0,1,0,0,1,0|2,0,0]=4 14483 B12R1.372 Cc1ccsc1SCCCCO 62a_100000210776_100010247149 [0,1,0,0,1,0|2,0,0]=4 14484 B12R1.372 Cc1ccsc1SCCCCO 62a_100010247149_100000210776 [0,1,0,0,1,0|2,0,0]=4 14485 B12R1.372 Cc1cscc1SCCCCO 62a_100000210776_100000759966 [0,1,0,0,1,0|2,0,0]=4 14486 B12R1.372 Cc1cscc1SCCCCO 62a_100000759966_100000210776 [0,1,0,0,1,0|2,0,0]=4 14487 B12R1.372 Cc1occc1COCCCO 34a_100011219433_100000230001 [0,1,0,0,1,0|2,0,0]=4 14488 B12R1.372 Cc1occc1COCCCO 7a_100011219433_100011215043 [0,1,0,0,1,0|2,0,0]=4 14489 B12R1.372 Cc1sccc1SCCCCO 62a_100000210776_100000684487 [0,1,0,0,1,0|2,0,0]=4 14490 B12R1.372 Cc1sccc1SCCCCO 62a_100000684487_100000210776 [0,1,0,0,1,0|2,0,0]=4 14491 B12R1.372 Cn1cccc1CCNCCO 2230a_100011251756_100000211926 [0,1,0,0,1,0|2,0,0]=4 14492 B12R1.372 Cn1cccc1CCNCCO 34a_100011251756_100000211926 [0,1,0,0,1,0|2,0,0]=4 14493 B12R1.372 Cn1cccc1CNCCCO 270004a_100000182051_100000211633 [0,1,0,0,1,0|2,0,0]=4 14494 B12R1.372 Cn1cccc1CNCCCO 34a_100011219357_100000230001 [0,1,0,0,1,0|2,0,0]=4 14495 B12R1.372 OCCCCSc1cscc1Br 62a_100000210776_100010143727 [0,1,0,0,1,0|2,0,0]=4 14496 B12R1.372 OCCCCSc1cscc1Br 62a_100010143727_100000210776 [0,1,0,0,1,0|2,0,0]=4 14497 B12R1.372 OCCCCSc1sccc1Br 62a_100000210776_100012361411 [0,1,0,0,1,0|2,0,0]=4 14498 B12R1.372 OCCCCSc1sccc1Br 62a_100012361411_100000210776 [0,1,0,0,1,0|2,0,0]=4 14499 B12R1.372 OCCCNCc1ccsc1Br 207a_100000182051_100009816921 [0,1,0,0,1,0|2,0,0]=4 14500 B12R1.372 OCCCNCc1ccsc1Br 2230a_100000727803_100000230001 [0,1,0,0,1,0|2,0,0]=4 14501 B12R1.372 OCCCNCc1ccsc1Br 270004a_100000182051_100009816921 [0,1,0,0,1,0|2,0,0]=4 14502 B12R1.372 OCCCNCc1ccsc1Br 34a_100000727803_100000230001 [0,1,0,0,1,0|2,0,0]=4 14503 B12R1.372 OCCCNCc1ccsc1Cl 207a_100000182051_100000089901 [0,1,0,0,1,0|2,0,0]=4 14504 B12R1.372 OCCCNCc1ccsc1Cl 270004a_100000182051_100000089901 [0,1,0,0,1,0|2,0,0]=4 14505 B12R1.372 OCCCNCc1cscc1Br 207a_100000182051_100000685484 [0,1,0,0,1,0|2,0,0]=4 14506 B12R1.372 OCCCNCc1cscc1Br 270004a_100000182051_100000685484 [0,1,0,0,1,0|2,0,0]=4 14507 B12R1.372 OCCCNCc1occc1Br 270004a_100000182051_100000756499 [0,1,0,0,1,0|2,0,0]=4 14508 B12R1.372 OCCCNCc1sccc1Br 207a_100000182051_100000766043 [0,1,0,0,1,0|2,0,0]=4 14509 B12R1.372 OCCCNCc1sccc1Br 270004a_100000182051_100000766043 [0,1,0,0,1,0|2,0,0]=4 14510 B12R1.372 OCCCNCc1sccc1Cl 207a_100000182051_100000722334 [0,1,0,0,1,0|2,0,0]=4 14511 B12R1.372 OCCCNCc1sccc1Cl 2230a_100011934584_100000230001 [0,1,0,0,1,0|2,0,0]=4 14512 B12R1.372 OCCCNCc1sccc1Cl 270004a_100000182051_100000722334 [0,1,0,0,1,0|2,0,0]=4 14513 B12R1.372 OCCCNCc1sccc1Cl 34a_100011934584_100000230001 [0,1,0,0,1,0|2,0,0]=4 14514 B12R1.372 OCCCOCc1ccsc1Br 34a_100009816922_100000230001 [0,1,0,0,1,0|2,0,0]=4 14515 B12R1.372 OCCCOCc1ccsc1Br 7a_100009816922_100011215043 [0,1,0,0,1,0|2,0,0]=4 14516 B12R1.372 OCCCOCc1cscc1Br 34a_100000724555_100000230001 [0,1,0,0,1,0|2,0,0]=4 14517 B12R1.372 OCCCOCc1sccc1Br 34a_100000702026_100000230001 [0,1,0,0,1,0|2,0,0]=4 14518 B12R1.372 OCCCOCc1sccc1Cl 34a_100000722387_100000230001 [0,1,0,0,1,0|2,0,0]=4 14519 B12R1.372 OCCCOCc1sccc1Cl 7a_100000722387_100011215043 [0,1,0,0,1,0|2,0,0]=4 14520 B12R1.372 OCCCSCc1ccsc1Br 62a_100009814289_100011215043 [0,1,0,0,1,0|2,0,0]=4 14521 B12R1.372 OCCCSCc1ccsc1Br 62a_100011215043_100009814289 [0,1,0,0,1,0|2,0,0]=4 14522 B12R1.372 OCCCSCc1ccsc1Cl 62a_100010167017_100011215043 [0,1,0,0,1,0|2,0,0]=4 14523 B12R1.372 OCCCSCc1ccsc1Cl 62a_100011215043_100010167017 [0,1,0,0,1,0|2,0,0]=4 14524 B12R1.477 CC(CO)CNCc1ccco1 207a_100000744482_100000186105 [0,1,0,0,1,0|2,0,0]=4 14525 B12R1.477 CC(CO)CNCc1cccs1 207a_100000744482_100000209959 [0,1,0,0,1,0|2,0,0]=4 14526 B12R1.477 CC(CO)CNCc1ccoc1 207a_100000744482_100011215517 [0,1,0,0,1,0|2,0,0]=4 14527 B12R1.477 CC(CO)CNCc1ccsc1 207a_100000744482_100000188534 [0,1,0,0,1,0|2,0,0]=4 14528 B12R1.477 CC(CO)CNCc1ccsc1 34a_100000744482_100011261437 [0,1,0,0,1,0|2,0,0]=4 14529 B12R1.477 CC(CO)NCCc1ccco1 2230a_100000694680_100012180447 [0,1,0,0,1,0|2,0,0]=4 14530 B12R1.477 CC(CO)NCCc1ccco1 34a_100000694680_100012180447 [0,1,0,0,1,0|2,0,0]=4 14531 B12R1.477 CC(CO)NCCc1cccs1 2230a_100000203755_100012180447 [0,1,0,0,1,0|2,0,0]=4 14532 B12R1.477 CC(CO)NCCc1cccs1 34a_100000203755_100012180447 [0,1,0,0,1,0|2,0,0]=4 14533 B12R1.477 CC(CO)NCCc1ccsc1 2230a_100000692642_100012180447 [0,1,0,0,1,0|2,0,0]=4 14534 B12R1.477 CC(CO)NCCc1ccsc1 34a_100000692642_100012180447 [0,1,0,0,1,0|2,0,0]=4 14535 B12R1.477 CC(CO)NCCn1cccc1 34a_100011368172_100012180447 [0,1,0,0,1,0|2,0,0]=4 14536 B12R1.477 CC(CO)OCCc1cccs1 34a_100011216825_100012180447 [0,1,0,0,1,0|2,0,0]=4 14537 B12R1.477 CC(CO)OCCc1cccs1 7a_100011216825_100012180447 [0,1,0,0,1,0|2,0,0]=4 14538 B12R1.477 CC(CO)OCCc1ccsc1 34a_100000748821_100012180447 [0,1,0,0,1,0|2,0,0]=4 14539 B12R1.477 CC(CO)OCCn1cccc1 34a_100000179382_100012180447 [0,1,0,0,1,0|2,0,0]=4 14540 B12R1.477 CC(CO)SCCc1cccs1 62a_100012180447_100000748579 [0,1,0,0,1,0|2,0,0]=4 14541 B12R1.477 CC(CO)SCCn1cccc1 62a_100012180447_200000035178 [0,1,0,0,1,0|2,0,0]=4 14542 B12R1.477 C[C@@H](CO)CNCc1ccco1 2230a_100000185738_100000059175 [0,1,0,0,1,0|2,0,0]=4 14543 B12R1.477 C[C@@H](CO)CNCc1ccco1 34a_100000185738_100000059175 [0,1,0,0,1,0|2,0,0]=4 14544 B12R1.477 C[C@@H](CO)CNCc1cccs1 2230a_100000211653_100000059175 [0,1,0,0,1,0|2,0,0]=4 14545 B12R1.477 C[C@@H](CO)CNCc1ccoc1 2230a_100015206860_100000059175 [0,1,0,0,1,0|2,0,0]=4 14546 B12R1.477 C[C@@H](CO)CNCc1ccoc1 34a_100015206860_100000059175 [0,1,0,0,1,0|2,0,0]=4 14547 B12R1.477 C[C@@H](CO)CNCc1ccsc1 2230a_100000186416_100000059175 [0,1,0,0,1,0|2,0,0]=4 14548 B12R1.477 C[C@@H](CO)CNCc1ccsc1 34a_100000186416_100000059175 [0,1,0,0,1,0|2,0,0]=4 14549 B12R1.477 C[C@@H](CO)COCc1ccco1 34a_100000210059_100000059175 [0,1,0,0,1,0|2,0,0]=4 14550 B12R1.477 C[C@@H](CO)COCc1cccs1 34a_100000211240_100000059175 [0,1,0,0,1,0|2,0,0]=4 14551 B12R1.477 C[C@@H](CO)COCc1ccoc1 34a_100011215357_100000059175 [0,1,0,0,1,0|2,0,0]=4 14552 B12R1.477 C[C@@H](CO)COCc1ccsc1 34a_100011215551_100000059175 [0,1,0,0,1,0|2,0,0]=4 14553 B12R1.477 C[C@@H](CO)CSCc1ccsc1 62a_100000059175_100011233845 [0,1,0,0,1,0|2,0,0]=4 14554 B12R1.477 C[C@@H](CO)CSCc1ccsc1 62a_100011261437_100000059175 [0,1,0,0,1,0|2,0,0]=4 14555 B12R1.477 C[C@H](CO)NCCc1cccs1 2230a_100000737577_100000748579 [0,1,0,0,1,0|2,0,0]=4 14556 B12R1.477 C[C@H](CO)NCCn1cccc1 2230a_100000737577_200009811947 [0,1,0,0,1,0|2,0,0]=4 14557 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100000748579_100016084084 [0,1,0,0,1,0|2,0,0]=4 14558 B12R1.477 C[C@H](CO)SCCc1cccs1 62a_100016084084_100000748579 [0,1,0,0,1,0|2,0,0]=4 14559 B12R1.477 C[C@H](CO)SCCn1cccc1 62a_100016084084_200000035178 [0,1,0,0,1,0|2,0,0]=4 14560 B12R1.477 C[C@H](CO)SCCn1cccc1 62a_200009811947_100016084084 [0,1,0,0,1,0|2,0,0]=4 14561 B12R1.477 O=C(CO)CCCc1cccs1 1458a_100000210174_100010992444 [0,1,0,0,1,0|1,0,1]=4 14562 B12R1.477 O=C(CO)CCCn1cccc1 1458a_100000210174_200009814367 [0,1,0,0,1,0|1,0,1]=4 14563 B12R1.477 OCC(O)CNCc1ccco1 2230a_100000185738_100011219619 [0,1,0,0,1,0|2,0,0]=4 14564 B12R1.477 OCC(O)CNCc1ccco1 34a_100000185738_100011219619 [0,1,0,0,1,0|2,0,0]=4 14565 B12R1.477 OCC(O)CNCc1cccs1 2230a_100000211653_100011219619 [0,1,0,0,1,0|2,0,0]=4 14566 B12R1.477 OCC(O)CNCc1ccoc1 2230a_100015206860_100011219619 [0,1,0,0,1,0|2,0,0]=4 14567 B12R1.477 OCC(O)CNCc1ccoc1 34a_100015206860_100011219619 [0,1,0,0,1,0|2,0,0]=4 14568 B12R1.477 OCC(O)CNCc1ccsc1 2230a_100000186416_100011219619 [0,1,0,0,1,0|2,0,0]=4 14569 B12R1.477 OCC(O)CNCc1ccsc1 34a_100000186416_100011219619 [0,1,0,0,1,0|2,0,0]=4 14570 B12R1.477 OCC(O)COCc1ccco1 34a_100000210059_100011219619 [0,1,0,0,1,0|2,0,0]=4 14571 B12R1.477 OCC(O)COCc1cccs1 34a_100000211240_100011219619 [0,1,0,0,1,0|2,0,0]=4 14572 B12R1.477 OCC(O)COCc1ccoc1 34a_100011215357_100011219619 [0,1,0,0,1,0|2,0,0]=4 14573 B12R1.477 OCC(O)COCc1ccsc1 34a_100011215551_100011219619 [0,1,0,0,1,0|2,0,0]=4 14574 B12R1.477 OCC(O)CSCc1ccsc1 62a_100011219619_100011233845 [0,1,0,0,1,0|2,0,0]=4 14575 B12R1.477 OCC(O)CSCc1ccsc1 62a_100011261437_100011219619 [0,1,0,0,1,0|2,0,0]=4 14576 B12R1.477 OC[C@@H](O)CNCc1ccco1 207a_100020644852_100000186105 [0,1,0,0,1,0|2,0,0]=4 14577 B12R1.477 OC[C@@H](O)CNCc1cccs1 207a_100020644852_100000209959 [0,1,0,0,1,0|2,0,0]=4 14578 B12R1.477 OC[C@@H](O)CNCc1ccoc1 207a_100020644852_100011215517 [0,1,0,0,1,0|2,0,0]=4 14579 B12R1.477 OC[C@@H](O)CNCc1ccsc1 207a_100020644852_100000188534 [0,1,0,0,1,0|2,0,0]=4 14580 B12R1.477 OC[C@@H](O)CNCc1ccsc1 2230a_100020644852_100011261437 [0,1,0,0,1,0|2,0,0]=4 14581 B12R1.477 OC[C@H](F)CNCc1ccco1 207a_100015665980_100000186105 [0,1,0,0,1,0|2,0,0]=4 14582 B12R1.477 OC[C@H](F)CNCc1ccco1 270004a_100015665980_100000186105 [0,1,0,0,1,0|2,0,0]=4 14583 B12R1.477 OC[C@H](F)CNCc1cccs1 207a_100015665980_100000209959 [0,1,0,0,1,0|2,0,0]=4 14584 B12R1.477 OC[C@H](F)CNCc1cccs1 270004a_100015665980_100000209959 [0,1,0,0,1,0|2,0,0]=4 14585 B12R1.477 OC[C@H](F)CNCc1ccoc1 207a_100015665980_100011215517 [0,1,0,0,1,0|2,0,0]=4 14586 B12R1.477 OC[C@H](F)CNCc1ccoc1 270004a_100015665980_100011215517 [0,1,0,0,1,0|2,0,0]=4 14587 B12R1.477 OC[C@H](F)CNCc1ccsc1 207a_100015665980_100000188534 [0,1,0,0,1,0|2,0,0]=4 14588 B12R1.477 OC[C@H](F)CNCc1ccsc1 270004a_100015665980_100000188534 [0,1,0,0,1,0|2,0,0]=4 14589 B12R1.477 OC[C@H](F)CNCc1ccsc1 34a_100015665980_100011261437 [0,1,0,0,1,0|2,0,0]=4 14590 B12R1.477 OC[C@H](O)CNCc1ccco1 2230a_100000185738_100009815848 [0,1,0,0,1,0|2,0,0]=4 14591 B12R1.477 OC[C@H](O)CNCc1ccco1 34a_100000185738_100009815848 [0,1,0,0,1,0|2,0,0]=4 14592 B12R1.477 OC[C@H](O)CNCc1cccs1 2230a_100000211653_100009815848 [0,1,0,0,1,0|2,0,0]=4 14593 B12R1.477 OC[C@H](O)CNCc1ccoc1 2230a_100015206860_100009815848 [0,1,0,0,1,0|2,0,0]=4 14594 B12R1.477 OC[C@H](O)CNCc1ccoc1 34a_100015206860_100009815848 [0,1,0,0,1,0|2,0,0]=4 14595 B12R1.477 OC[C@H](O)CNCc1ccsc1 2230a_100000186416_100009815848 [0,1,0,0,1,0|2,0,0]=4 14596 B12R1.477 OC[C@H](O)CNCc1ccsc1 34a_100000186416_100009815848 [0,1,0,0,1,0|2,0,0]=4 14597 B12R1.477 OC[C@H](O)COCc1ccco1 34a_100000210059_100009815848 [0,1,0,0,1,0|2,0,0]=4 14598 B12R1.477 OC[C@H](O)COCc1cccs1 34a_100000211240_100009815848 [0,1,0,0,1,0|2,0,0]=4 14599 B12R1.477 OC[C@H](O)COCc1ccoc1 34a_100011215357_100009815848 [0,1,0,0,1,0|2,0,0]=4 14600 B12R1.477 OC[C@H](O)COCc1ccsc1 34a_100011215551_100009815848 [0,1,0,0,1,0|2,0,0]=4 14601 B12R1.477 OC[C@H](O)CSCc1ccsc1 62a_100009815848_100011233845 [0,1,0,0,1,0|2,0,0]=4 14602 B12R1.477 OC[C@H](O)CSCc1ccsc1 62a_100011261437_100009815848 [0,1,0,0,1,0|2,0,0]=4 14603 B14R1.138 CCCCCOc1cccccc1=O 34a_100000036025_100000718602 [0,1,0,0,0,1|2,0,0]=4 14604 B14R1.138 CCCCCOc1cccccc1=O 7a_100000036025_100000210326 [0,1,0,0,0,1|2,0,0]=4 14605 B14R1.138 O=c1cccccc1OCCCCF 34a_100000036025_100000729493 [0,1,0,0,0,1|2,0,0]=4 14606 B14R1.138 O=c1cccccc1OCCCCF 7a_100000036025_100000729493 [0,1,0,0,0,1|2,0,0]=4 14607 B14R1.138 O=c1cccccc1OCCCCO 34a_100000036025_100011216708 [0,1,0,0,0,1|1,0,0]=3 14608 B14R1.138 O=c1cccccc1OCCCCO 7a_100000036025_100000210776 [0,1,0,0,0,1|1,0,0]=3 14609 B14R1.9 BrCCCOCc1cccc(c1Br)I 34a_100011217188_100010254545 [0,2,0,0,0,0|2,0,0]=4 14610 B14R1.9 CCCCCNc1cccc(c1Br)C 34a_100000684715_100000718602 [0,2,0,0,0,0|2,0,0]=4 14611 B14R1.9 CCCCCNc1cccc(c1Br)Cl 34a_100000687072_100000718602 [0,2,0,0,0,0|2,0,0]=4 14612 B14R1.9 CCCCCNc1cccc(c1Br)F 34a_100011934729_100000718602 [0,2,0,0,0,0|2,0,0]=4 14613 B14R1.9 CCCCCNc1cccc(c1Br)O 34a_100012183704_100000718602 [0,2,0,0,0,0|2,0,0]=4 14614 B14R1.9 CCCCCNc1cccc(c1Br)O 7a_100012183704_100000210326 [0,2,0,0,0,0|2,0,0]=4 14615 B14R1.9 CCCCCNc1cccc(c1C)Br 34a_100000750434_100000718602 [0,2,0,0,0,0|2,0,0]=4 14616 B14R1.9 CCCCCNc1cccc(c1C)C 2230a_100000210026_100000210326 [0,2,0,0,0,0|2,0,0]=4 14617 B14R1.9 CCCCCNc1cccc(c1C)C 34a_100000210026_100000718602 [0,2,0,0,0,0|2,0,0]=4 14618 B14R1.9 CCCCCNc1cccc(c1C)C 7a_100000210026_100000210326 [0,2,0,0,0,0|2,0,0]=4 14619 B14R1.9 CCCCCNc1cccc(c1C)Cl 2230a_100000210441_100000210326 [0,2,0,0,0,0|2,0,0]=4 14620 B14R1.9 CCCCCNc1cccc(c1C)Cl 34a_100000210441_100000718602 [0,2,0,0,0,0|2,0,0]=4 14621 B14R1.9 CCCCCNc1cccc(c1C)Cl 7a_100000210441_100000210326 [0,2,0,0,0,0|2,0,0]=4 14622 B14R1.9 CCCCCNc1cccc(c1C)F 34a_100000745574_100000718602 [0,2,0,0,0,0|2,0,0]=4 14623 B14R1.9 CCCCCNc1cccc(c1C)F 7a_100000745574_100000210326 [0,2,0,0,0,0|2,0,0]=4 14624 B14R1.9 CCCCCNc1cccc(c1C)I 34a_100000761887_100000718602 [0,2,0,0,0,0|2,0,0]=4 14625 B14R1.9 CCCCCNc1cccc(c1C)O 34a_100011216573_100000718602 [0,2,0,0,0,0|2,0,0]=4 14626 B14R1.9 CCCCCNc1cccc(c1C)O 7a_100011216573_100000210326 [0,2,0,0,0,0|2,0,0]=4 14627 B14R1.9 CCCCCNc1cccc(c1Cl)Br 34a_100000687075_100000718602 [0,2,0,0,0,0|2,0,0]=4 14628 B14R1.9 CCCCCNc1cccc(c1Cl)C 34a_100000765562_100000718602 [0,2,0,0,0,0|2,0,0]=4 14629 B14R1.9 CCCCCNc1cccc(c1Cl)C 7a_100000765562_100000210326 [0,2,0,0,0,0|2,0,0]=4 14630 B14R1.9 CCCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000718602 [0,2,0,0,0,0|2,0,0]=4 14631 B14R1.9 CCCCCNc1cccc(c1Cl)F 34a_100000692321_100000718602 [0,2,0,0,0,0|2,0,0]=4 14632 B14R1.9 CCCCCNc1cccc(c1Cl)O 34a_100012002038_100000718602 [0,2,0,0,0,0|2,0,0]=4 14633 B14R1.9 CCCCCNc1cccc(c1Cl)O 7a_100012002038_100000210326 [0,2,0,0,0,0|2,0,0]=4 14634 B14R1.9 CCCCCNc1cccc(c1F)Br 2230a_100011935091_100000210326 [0,2,0,0,0,0|2,0,0]=4 14635 B14R1.9 CCCCCNc1cccc(c1F)Br 34a_100011935091_100000718602 [0,2,0,0,0,0|2,0,0]=4 14636 B14R1.9 CCCCCNc1cccc(c1F)C 2230a_100000697159_100000210326 [0,2,0,0,0,0|2,0,0]=4 14637 B14R1.9 CCCCCNc1cccc(c1F)C 34a_100000697159_100000718602 [0,2,0,0,0,0|2,0,0]=4 14638 B14R1.9 CCCCCNc1cccc(c1F)C 7a_100000697159_100000210326 [0,2,0,0,0,0|2,0,0]=4 14639 B14R1.9 CCCCCNc1cccc(c1F)Cl 2230a_100000199060_100000210326 [0,2,0,0,0,0|2,0,0]=4 14640 B14R1.9 CCCCCNc1cccc(c1F)Cl 34a_100000199060_100000718602 [0,2,0,0,0,0|2,0,0]=4 14641 B14R1.9 CCCCCNc1cccc(c1F)F 34a_100000743855_100000718602 [0,2,0,0,0,0|2,0,0]=4 14642 B14R1.9 CCCCCNc1cccc(c1I)Br 34a_100020590159_100000718602 [0,2,0,0,0,0|2,0,0]=4 14643 B14R1.9 CCCCCNc1cccc(c1I)C 34a_100000761888_100000718602 [0,2,0,0,0,0|2,0,0]=4 14644 B14R1.9 CCCCCNc1cccc(c1I)Cl 34a_100000049713_100000718602 [0,2,0,0,0,0|2,0,0]=4 14645 B14R1.9 CCCCCNc1cccc(c1I)F 34a_100000690935_100000718602 [0,2,0,0,0,0|2,0,0]=4 14646 B14R1.9 CCCCCNc1cccc(c1O)Br 34a_100011934915_100000718602 [0,2,0,0,0,0|2,0,0]=4 14647 B14R1.9 CCCCCNc1cccc(c1O)C 34a_100000756359_100000718602 [0,2,0,0,0,0|2,0,0]=4 14648 B14R1.9 CCCCCNc1cccc(c1O)Cl 34a_100000754742_100000718602 [0,2,0,0,0,0|2,0,0]=4 14649 B14R1.9 CCCCCNc1cccc(c1O)F 34a_100011934987_100000718602 [0,2,0,0,0,0|2,0,0]=4 14650 B14R1.9 CCCCCOc1cccc(c1Br)Br 34a_100010187966_100000718602 [0,2,0,0,0,0|2,0,0]=4 14651 B14R1.9 CCCCCOc1cccc(c1Br)Br 7a_100010187966_100000210326 [0,2,0,0,0,0|2,0,0]=4 14652 B14R1.9 CCCCCOc1cccc(c1Br)C 34a_100000686692_100000718602 [0,2,0,0,0,0|2,0,0]=4 14653 B14R1.9 CCCCCOc1cccc(c1Br)C 7a_100000686692_100000210326 [0,2,0,0,0,0|2,0,0]=4 14654 B14R1.9 CCCCCOc1cccc(c1Br)Cl 34a_100012348804_100000718602 [0,2,0,0,0,0|2,0,0]=4 14655 B14R1.9 CCCCCOc1cccc(c1Br)Cl 7a_100012348804_100000210326 [0,2,0,0,0,0|2,0,0]=4 14656 B14R1.9 CCCCCOc1cccc(c1Br)F 34a_100009820682_100000718602 [0,2,0,0,0,0|2,0,0]=4 14657 B14R1.9 CCCCCOc1cccc(c1Br)F 7a_100009820682_100000210326 [0,2,0,0,0,0|2,0,0]=4 14658 B14R1.9 CCCCCOc1cccc(c1Br)I 34a_100010187914_100000718602 [0,2,0,0,0,0|2,0,0]=4 14659 B14R1.9 CCCCCOc1cccc(c1Br)I 7a_100010187914_100000210326 [0,2,0,0,0,0|2,0,0]=4 14660 B14R1.9 CCCCCOc1cccc(c1Br)N 34a_100012183704_100000718602 [0,2,0,0,0,0|2,0,0]=4 14661 B14R1.9 CCCCCOc1cccc(c1Br)N 7a_100012183704_100000210326 [0,2,0,0,0,0|2,0,0]=4 14662 B14R1.9 CCCCCOc1cccc(c1C)Br 34a_100012002258_100000718602 [0,2,0,0,0,0|2,0,0]=4 14663 B14R1.9 CCCCCOc1cccc(c1C)Br 7a_100012002258_100000210326 [0,2,0,0,0,0|2,0,0]=4 14664 B14R1.9 CCCCCOc1cccc(c1C)C 34a_100000185855_100000718602 [0,2,0,0,0,0|2,0,0]=4 14665 B14R1.9 CCCCCOc1cccc(c1C)C 7a_100000185855_100000210326 [0,2,0,0,0,0|2,0,0]=4 14666 B14R1.9 CCCCCOc1cccc(c1C)Cl 34a_100011265684_100000718602 [0,2,0,0,0,0|2,0,0]=4 14667 B14R1.9 CCCCCOc1cccc(c1C)Cl 7a_100011265684_100000210326 [0,2,0,0,0,0|2,0,0]=4 14668 B14R1.9 CCCCCOc1cccc(c1C)F 34a_100011217231_100000718602 [0,2,0,0,0,0|2,0,0]=4 14669 B14R1.9 CCCCCOc1cccc(c1C)F 7a_100011217231_100000210326 [0,2,0,0,0,0|2,0,0]=4 14670 B14R1.9 CCCCCOc1cccc(c1C)N 34a_100011216573_100000718602 [0,2,0,0,0,0|2,0,0]=4 14671 B14R1.9 CCCCCOc1cccc(c1C)N 7a_100011216573_100000210326 [0,2,0,0,0,0|2,0,0]=4 14672 B14R1.9 CCCCCOc1cccc(c1Cl)Br 34a_100010187913_100000718602 [0,2,0,0,0,0|2,0,0]=4 14673 B14R1.9 CCCCCOc1cccc(c1Cl)Br 7a_100010187913_100000210326 [0,2,0,0,0,0|2,0,0]=4 14674 B14R1.9 CCCCCOc1cccc(c1Cl)C 34a_100000695629_100000718602 [0,2,0,0,0,0|2,0,0]=4 14675 B14R1.9 CCCCCOc1cccc(c1Cl)C 7a_100000695629_100000210326 [0,2,0,0,0,0|2,0,0]=4 14676 B14R1.9 CCCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000718602 [0,2,0,0,0,0|2,0,0]=4 14677 B14R1.9 CCCCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210326 [0,2,0,0,0,0|2,0,0]=4 14678 B14R1.9 CCCCCOc1cccc(c1Cl)F 34a_100000087408_100000718602 [0,2,0,0,0,0|2,0,0]=4 14679 B14R1.9 CCCCCOc1cccc(c1Cl)F 7a_100000087408_100000210326 [0,2,0,0,0,0|2,0,0]=4 14680 B14R1.9 CCCCCOc1cccc(c1Cl)I 34a_100000049636_100000718602 [0,2,0,0,0,0|2,0,0]=4 14681 B14R1.9 CCCCCOc1cccc(c1Cl)I 7a_100000049636_100000210326 [0,2,0,0,0,0|2,0,0]=4 14682 B14R1.9 CCCCCOc1cccc(c1Cl)N 34a_100012002038_100000718602 [0,2,0,0,0,0|2,0,0]=4 14683 B14R1.9 CCCCCOc1cccc(c1Cl)N 7a_100012002038_100000210326 [0,2,0,0,0,0|2,0,0]=4 14684 B14R1.9 CCCCCOc1cccc(c1F)Br 34a_100009817021_100000718602 [0,2,0,0,0,0|2,0,0]=4 14685 B14R1.9 CCCCCOc1cccc(c1F)Br 7a_100009817021_100000210326 [0,2,0,0,0,0|2,0,0]=4 14686 B14R1.9 CCCCCOc1cccc(c1F)C 34a_100000751311_100000718602 [0,2,0,0,0,0|2,0,0]=4 14687 B14R1.9 CCCCCOc1cccc(c1F)C 7a_100000751311_100000210326 [0,2,0,0,0,0|2,0,0]=4 14688 B14R1.9 CCCCCOc1cccc(c1F)Cl 34a_100000687438_100000718602 [0,2,0,0,0,0|2,0,0]=4 14689 B14R1.9 CCCCCOc1cccc(c1F)Cl 7a_100000687438_100000210326 [0,2,0,0,0,0|2,0,0]=4 14690 B14R1.9 CCCCCOc1cccc(c1F)F 34a_100000751161_100000718602 [0,2,0,0,0,0|2,0,0]=4 14691 B14R1.9 CCCCCOc1cccc(c1F)F 7a_100000751161_100000210326 [0,2,0,0,0,0|2,0,0]=4 14692 B14R1.9 CCCCCOc1cccc(c1I)Br 34a_100010187912_100000718602 [0,2,0,0,0,0|2,0,0]=4 14693 B14R1.9 CCCCCOc1cccc(c1I)Br 7a_100010187912_100000210326 [0,2,0,0,0,0|2,0,0]=4 14694 B14R1.9 CCCCCOc1cccc(c1I)C 34a_100010083724_100000718602 [0,2,0,0,0,0|2,0,0]=4 14695 B14R1.9 CCCCCOc1cccc(c1I)C 7a_100010083724_100000210326 [0,2,0,0,0,0|2,0,0]=4 14696 B14R1.9 CCCCCOc1cccc(c1I)Cl 34a_100000050174_100000718602 [0,2,0,0,0,0|2,0,0]=4 14697 B14R1.9 CCCCCOc1cccc(c1I)Cl 7a_100000050174_100000210326 [0,2,0,0,0,0|2,0,0]=4 14698 B14R1.9 CCCCCOc1cccc(c1I)F 34a_100000690913_100000718602 [0,2,0,0,0,0|2,0,0]=4 14699 B14R1.9 CCCCCOc1cccc(c1I)F 7a_100000690913_100000210326 [0,2,0,0,0,0|2,0,0]=4 14700 B14R1.9 CCCCCOc1cccc(c1N)Br 34a_100011934926_100000718602 [0,2,0,0,0,0|2,0,0]=4 14701 B14R1.9 CCCCCOc1cccc(c1N)Br 7a_100011934926_100000210326 [0,2,0,0,0,0|2,0,0]=4 14702 B14R1.9 CCCCCOc1cccc(c1N)C 34a_100000743429_100000718602 [0,2,0,0,0,0|2,0,0]=4 14703 B14R1.9 CCCCCOc1cccc(c1N)C 7a_100000743429_100000210326 [0,2,0,0,0,0|2,0,0]=4 14704 B14R1.9 CCCCCOc1cccc(c1N)Cl 34a_100012022510_100000718602 [0,2,0,0,0,0|2,0,0]=4 14705 B14R1.9 CCCCCOc1cccc(c1N)Cl 7a_100012022510_100000210326 [0,2,0,0,0,0|2,0,0]=4 14706 B14R1.9 CCCCCOc1cccc(c1N)F 34a_100020591140_100000718602 [0,2,0,0,0,0|2,0,0]=4 14707 B14R1.9 CCCCCOc1cccc(c1N)F 7a_100020591140_100000210326 [0,2,0,0,0,0|2,0,0]=4 14708 B14R1.9 CCCCCOc1cccc(c1N)I 34a_200000049512_100000718602 [0,2,0,0,0,0|2,0,0]=4 14709 B14R1.9 CCCCCOc1cccc(c1N)I 7a_200000049512_100000210326 [0,2,0,0,0,0|2,0,0]=4 14710 B14R1.9 CCCCCOc1cccc(c1N)N 34a_100000033209_100000718602 [0,2,0,0,0,0|2,0,0]=4 14711 B14R1.9 CCCCCSc1cccc(c1Br)Br 62a_100000210326_100010175083 [0,2,0,0,0,0|2,0,0]=4 14712 B14R1.9 CCCCCSc1cccc(c1Br)Br 62a_100010175083_100000210326 [0,2,0,0,0,0|2,0,0]=4 14713 B14R1.9 CCCCCSc1cccc(c1Br)C 62a_100000210326_100012362457 [0,2,0,0,0,0|2,0,0]=4 14714 B14R1.9 CCCCCSc1cccc(c1Br)C 62a_100012362457_100000210326 [0,2,0,0,0,0|2,0,0]=4 14715 B14R1.9 CCCCCSc1cccc(c1Br)Cl 62a_100000210326_100014021842 [0,2,0,0,0,0|2,0,0]=4 14716 B14R1.9 CCCCCSc1cccc(c1Br)Cl 62a_100014021842_100000210326 [0,2,0,0,0,0|2,0,0]=4 14717 B14R1.9 CCCCCSc1cccc(c1Br)F 62a_100000210326_100010202630 [0,2,0,0,0,0|2,0,0]=4 14718 B14R1.9 CCCCCSc1cccc(c1Br)F 62a_100010202630_100000210326 [0,2,0,0,0,0|2,0,0]=4 14719 B14R1.9 CCCCCSc1cccc(c1Br)O 62a_100000210326_100010187914 [0,2,0,0,0,0|2,0,0]=4 14720 B14R1.9 CCCCCSc1cccc(c1Br)O 62a_100010187914_100000210326 [0,2,0,0,0,0|2,0,0]=4 14721 B14R1.9 CCCCCSc1cccc(c1C)Br 62a_100000210326_100012353703 [0,2,0,0,0,0|2,0,0]=4 14722 B14R1.9 CCCCCSc1cccc(c1C)Br 62a_100012353703_100000210326 [0,2,0,0,0,0|2,0,0]=4 14723 B14R1.9 CCCCCSc1cccc(c1C)C 62a_100000210326_100011214922 [0,2,0,0,0,0|2,0,0]=4 14724 B14R1.9 CCCCCSc1cccc(c1C)C 62a_100011214922_100000210326 [0,2,0,0,0,0|2,0,0]=4 14725 B14R1.9 CCCCCSc1cccc(c1C)Cl 62a_100000210326_100000726075 [0,2,0,0,0,0|2,0,0]=4 14726 B14R1.9 CCCCCSc1cccc(c1C)Cl 62a_100000726075_100000210326 [0,2,0,0,0,0|2,0,0]=4 14727 B14R1.9 CCCCCSc1cccc(c1C)F 62a_100000210326_100011216893 [0,2,0,0,0,0|2,0,0]=4 14728 B14R1.9 CCCCCSc1cccc(c1C)F 62a_100011216893_100000210326 [0,2,0,0,0,0|2,0,0]=4 14729 B14R1.9 CCCCCSc1cccc(c1C)N 62a_100000210326_100000761887 [0,2,0,0,0,0|2,0,0]=4 14730 B14R1.9 CCCCCSc1cccc(c1C)N 62a_100000761887_100000210326 [0,2,0,0,0,0|2,0,0]=4 14731 B14R1.9 CCCCCSc1cccc(c1C)O 62a_100000210326_100012002258 [0,2,0,0,0,0|2,0,0]=4 14732 B14R1.9 CCCCCSc1cccc(c1C)O 62a_100012002258_100000210326 [0,2,0,0,0,0|2,0,0]=4 14733 B14R1.9 CCCCCSc1cccc(c1Cl)Br 62a_100000210326_100010142854 [0,2,0,0,0,0|2,0,0]=4 14734 B14R1.9 CCCCCSc1cccc(c1Cl)Br 62a_100010142854_100000210326 [0,2,0,0,0,0|2,0,0]=4 14735 B14R1.9 CCCCCSc1cccc(c1Cl)C 62a_100000210326_200012352035 [0,2,0,0,0,0|2,0,0]=4 14736 B14R1.9 CCCCCSc1cccc(c1Cl)C 62a_200012352035_100000210326 [0,2,0,0,0,0|2,0,0]=4 14737 B14R1.9 CCCCCSc1cccc(c1Cl)Cl 62a_100000210326_100011215384 [0,2,0,0,0,0|2,0,0]=4 14738 B14R1.9 CCCCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210326 [0,2,0,0,0,0|2,0,0]=4 14739 B14R1.9 CCCCCSc1cccc(c1Cl)F 62a_100000210326_200010234923 [0,2,0,0,0,0|2,0,0]=4 14740 B14R1.9 CCCCCSc1cccc(c1Cl)F 62a_200010234923_100000210326 [0,2,0,0,0,0|2,0,0]=4 14741 B14R1.9 CCCCCSc1cccc(c1Cl)O 62a_100000210326_100000049636 [0,2,0,0,0,0|2,0,0]=4 14742 B14R1.9 CCCCCSc1cccc(c1F)Br 62a_100000210326_100000702267 [0,2,0,0,0,0|2,0,0]=4 14743 B14R1.9 CCCCCSc1cccc(c1F)Br 62a_100000702267_100000210326 [0,2,0,0,0,0|2,0,0]=4 14744 B14R1.9 CCCCCSc1cccc(c1F)C 62a_100000210326_100000717567 [0,2,0,0,0,0|2,0,0]=4 14745 B14R1.9 CCCCCSc1cccc(c1F)C 62a_100000717567_100000210326 [0,2,0,0,0,0|2,0,0]=4 14746 B14R1.9 CCCCCSc1cccc(c1F)Cl 62a_100000210326_100011217346 [0,2,0,0,0,0|2,0,0]=4 14747 B14R1.9 CCCCCSc1cccc(c1F)Cl 62a_100011217346_100000210326 [0,2,0,0,0,0|2,0,0]=4 14748 B14R1.9 CCCCCSc1cccc(c1F)F 62a_100000210326_100000694657 [0,2,0,0,0,0|2,0,0]=4 14749 B14R1.9 CCCCCSc1cccc(c1F)F 62a_100000694657_100000210326 [0,2,0,0,0,0|2,0,0]=4 14750 B14R1.9 CCCCCSc1cccc(c1F)N 62a_100000210326_100011935091 [0,2,0,0,0,0|2,0,0]=4 14751 B14R1.9 CCCCCSc1cccc(c1F)N 62a_100011935091_100000210326 [0,2,0,0,0,0|2,0,0]=4 14752 B14R1.9 CCCCCSc1cccc(c1F)O 62a_100000210326_100009817021 [0,2,0,0,0,0|2,0,0]=4 14753 B14R1.9 CCCCCSc1cccc(c1F)O 62a_100009817021_100000210326 [0,2,0,0,0,0|2,0,0]=4 14754 B14R1.9 CCCCCSc1cccc(c1N)Br 62a_100000210326_100010146558 [0,2,0,0,0,0|2,0,0]=4 14755 B14R1.9 CCCCCSc1cccc(c1N)Br 62a_100010146558_100000210326 [0,2,0,0,0,0|2,0,0]=4 14756 B14R1.9 CCCCCSc1cccc(c1N)C 62a_100000210326_100011834072 [0,2,0,0,0,0|2,0,0]=4 14757 B14R1.9 CCCCCSc1cccc(c1N)C 62a_100011834072_100000210326 [0,2,0,0,0,0|2,0,0]=4 14758 B14R1.9 CCCCCSc1cccc(c1N)Cl 62a_100000210326_100010190421 [0,2,0,0,0,0|2,0,0]=4 14759 B14R1.9 CCCCCSc1cccc(c1N)Cl 62a_100010190421_100000210326 [0,2,0,0,0,0|2,0,0]=4 14760 B14R1.9 CCCCCSc1cccc(c1N)F 62a_100000042321_100000210326 [0,2,0,0,0,0|2,0,0]=4 14761 B14R1.9 CCCCCSc1cccc(c1N)F 62a_100000210326_100000042321 [0,2,0,0,0,0|2,0,0]=4 14762 B14R1.9 CCCCCSc1cccc(c1N)N 62a_100015191791_100000210326 [0,2,0,0,0,0|2,0,0]=4 14763 B14R1.9 CCCCCSc1cccc(c1N)O 62a_100000210326_100011934926 [0,2,0,0,0,0|2,0,0]=4 14764 B14R1.9 CCCCCSc1cccc(c1O)Br 62a_100000210326_100010084509 [0,2,0,0,0,0|2,0,0]=4 14765 B14R1.9 CCCCCSc1cccc(c1O)Br 62a_100010084509_100000210326 [0,2,0,0,0,0|2,0,0]=4 14766 B14R1.9 CCCCCSc1cccc(c1O)C 62a_100000210326_100009817157 [0,2,0,0,0,0|2,0,0]=4 14767 B14R1.9 CCCCCSc1cccc(c1O)C 62a_100009817157_100000210326 [0,2,0,0,0,0|2,0,0]=4 14768 B14R1.9 CCCCCSc1cccc(c1O)Cl 62a_100000210326_100010202889 [0,2,0,0,0,0|2,0,0]=4 14769 B14R1.9 CCCCCSc1cccc(c1O)Cl 62a_100010202889_100000210326 [0,2,0,0,0,0|2,0,0]=4 14770 B14R1.9 CCCCCSc1cccc(c1O)F 62a_100000210326_100009813666 [0,2,0,0,0,0|2,0,0]=4 14771 B14R1.9 CCCCCSc1cccc(c1O)F 62a_100009813666_100000210326 [0,2,0,0,0,0|2,0,0]=4 14772 B14R1.9 CCCCCSc1cccc(c1O)N 62a_100000210326_100010084371 [0,2,0,0,0,0|2,0,0]=4 14773 B14R1.9 CCCCCSc1cccc(c1O)N 62a_100011934915_100000210326 [0,2,0,0,0,0|2,0,0]=4 14774 B14R1.9 CCCCCSc1cccc(c1O)O 62a_100000210326_100009815950 [0,2,0,0,0,0|2,0,0]=4 14775 B14R1.9 CCCCNCc1cccc(c1Br)Br 207a_100000102301_100010240334 [0,2,0,0,0,0|2,0,0]=4 14776 B14R1.9 CCCCNCc1cccc(c1Br)Br 270004a_100000102301_100010240334 [0,2,0,0,0,0|2,0,0]=4 14777 B14R1.9 CCCCNCc1cccc(c1Br)C 207a_100000102301_100012186367 [0,2,0,0,0,0|2,0,0]=4 14778 B14R1.9 CCCCNCc1cccc(c1Br)C 2230a_100000102301_200012349612 [0,2,0,0,0,0|2,0,0]=4 14779 B14R1.9 CCCCNCc1cccc(c1Br)C 270004a_100000102301_100012186367 [0,2,0,0,0,0|2,0,0]=4 14780 B14R1.9 CCCCNCc1cccc(c1Br)C 7a_106832991798_200012349612 [0,2,0,0,0,0|2,0,0]=4 14781 B14R1.9 CCCCNCc1cccc(c1Br)Cl 207a_100000102301_100010232083 [0,2,0,0,0,0|2,0,0]=4 14782 B14R1.9 CCCCNCc1cccc(c1Br)Cl 2230a_100000102301_100010145525 [0,2,0,0,0,0|2,0,0]=4 14783 B14R1.9 CCCCNCc1cccc(c1Br)Cl 270004a_100000102301_100010232083 [0,2,0,0,0,0|2,0,0]=4 14784 B14R1.9 CCCCNCc1cccc(c1Br)Cl 7a_106832991798_100010145525 [0,2,0,0,0,0|2,0,0]=4 14785 B14R1.9 CCCCNCc1cccc(c1Br)F 207a_100000102301_100011934749 [0,2,0,0,0,0|2,0,0]=4 14786 B14R1.9 CCCCNCc1cccc(c1Br)F 2230a_100000102301_100012351116 [0,2,0,0,0,0|2,0,0]=4 14787 B14R1.9 CCCCNCc1cccc(c1Br)F 2230a_100020638964_100000210211 [0,2,0,0,0,0|2,0,0]=4 14788 B14R1.9 CCCCNCc1cccc(c1Br)F 270004a_100000102301_100011934749 [0,2,0,0,0,0|2,0,0]=4 14789 B14R1.9 CCCCNCc1cccc(c1Br)F 34a_100020638964_100000210210 [0,2,0,0,0,0|2,0,0]=4 14790 B14R1.9 CCCCNCc1cccc(c1Br)F 7a_106832991798_100012351116 [0,2,0,0,0,0|2,0,0]=4 14791 B14R1.9 CCCCNCc1cccc(c1Br)I 2230a_100000102301_100010254545 [0,2,0,0,0,0|2,0,0]=4 14792 B14R1.9 CCCCNCc1cccc(c1Br)I 7a_106832991798_100010254545 [0,2,0,0,0,0|2,0,0]=4 14793 B14R1.9 CCCCNCc1cccc(c1C)Br 207a_100000102301_100012179384 [0,2,0,0,0,0|2,0,0]=4 14794 B14R1.9 CCCCNCc1cccc(c1C)Br 2230a_100000102301_100000694682 [0,2,0,0,0,0|2,0,0]=4 14795 B14R1.9 CCCCNCc1cccc(c1C)Br 270004a_100000102301_100012179384 [0,2,0,0,0,0|2,0,0]=4 14796 B14R1.9 CCCCNCc1cccc(c1C)Br 34a_100000724210_100000210210 [0,2,0,0,0,0|2,0,0]=4 14797 B14R1.9 CCCCNCc1cccc(c1C)Br 7a_106832991798_100000694682 [0,2,0,0,0,0|2,0,0]=4 14798 B14R1.9 CCCCNCc1cccc(c1C)C 207a_100000102301_100000229941 [0,2,0,0,0,0|2,0,0]=4 14799 B14R1.9 CCCCNCc1cccc(c1C)C 2230a_100000102301_100011515928 [0,2,0,0,0,0|2,0,0]=4 14800 B14R1.9 CCCCNCc1cccc(c1C)C 2230a_100011211637_100000210211 [0,2,0,0,0,0|2,0,0]=4 14801 B14R1.9 CCCCNCc1cccc(c1C)C 270004a_100000102301_100000229941 [0,2,0,0,0,0|2,0,0]=4 14802 B14R1.9 CCCCNCc1cccc(c1C)C 34a_100011211637_100000210210 [0,2,0,0,0,0|2,0,0]=4 14803 B14R1.9 CCCCNCc1cccc(c1C)C 7a_106832991798_100011515928 [0,2,0,0,0,0|2,0,0]=4 14804 B14R1.9 CCCCNCc1cccc(c1C)Cl 207a_100000102301_100012002129 [0,2,0,0,0,0|2,0,0]=4 14805 B14R1.9 CCCCNCc1cccc(c1C)Cl 2230a_100000102301_100012186920 [0,2,0,0,0,0|2,0,0]=4 14806 B14R1.9 CCCCNCc1cccc(c1C)Cl 2230a_100020639605_100000210211 [0,2,0,0,0,0|2,0,0]=4 14807 B14R1.9 CCCCNCc1cccc(c1C)Cl 270004a_100000102301_100012002129 [0,2,0,0,0,0|2,0,0]=4 14808 B14R1.9 CCCCNCc1cccc(c1C)Cl 34a_100020639605_100000210210 [0,2,0,0,0,0|2,0,0]=4 14809 B14R1.9 CCCCNCc1cccc(c1C)Cl 7a_106832991798_100012186920 [0,2,0,0,0,0|2,0,0]=4 14810 B14R1.9 CCCCNCc1cccc(c1C)F 207a_100000102301_100000037668 [0,2,0,0,0,0|2,0,0]=4 14811 B14R1.9 CCCCNCc1cccc(c1C)F 2230a_100000102301_100009813626 [0,2,0,0,0,0|2,0,0]=4 14812 B14R1.9 CCCCNCc1cccc(c1C)F 2230a_100132306986_100000210211 [0,2,0,0,0,0|2,0,0]=4 14813 B14R1.9 CCCCNCc1cccc(c1C)F 270004a_100000102301_100000037668 [0,2,0,0,0,0|2,0,0]=4 14814 B14R1.9 CCCCNCc1cccc(c1C)F 34a_100132306986_100000210210 [0,2,0,0,0,0|2,0,0]=4 14815 B14R1.9 CCCCNCc1cccc(c1C)F 7a_106832991798_100009813626 [0,2,0,0,0,0|2,0,0]=4 14816 B14R1.9 CCCCNCc1cccc(c1C)I 2230a_100000102301_100010150147 [0,2,0,0,0,0|2,0,0]=4 14817 B14R1.9 CCCCNCc1cccc(c1C)I 7a_106832991798_100010150147 [0,2,0,0,0,0|2,0,0]=4 14818 B14R1.9 CCCCNCc1cccc(c1C)O 270004a_100000102301_100009868165 [0,2,0,0,0,0|2,0,0]=4 14819 B14R1.9 CCCCNCc1cccc(c1Cl)Br 207a_100000102301_100012362481 [0,2,0,0,0,0|2,0,0]=4 14820 B14R1.9 CCCCNCc1cccc(c1Cl)Br 2230a_100000102301_100012349491 [0,2,0,0,0,0|2,0,0]=4 14821 B14R1.9 CCCCNCc1cccc(c1Cl)Br 270004a_100000102301_100012362481 [0,2,0,0,0,0|2,0,0]=4 14822 B14R1.9 CCCCNCc1cccc(c1Cl)Br 7a_106832991798_100012349491 [0,2,0,0,0,0|2,0,0]=4 14823 B14R1.9 CCCCNCc1cccc(c1Cl)C 207a_100000102301_100012017286 [0,2,0,0,0,0|2,0,0]=4 14824 B14R1.9 CCCCNCc1cccc(c1Cl)C 2230a_100025705714_100000210211 [0,2,0,0,0,0|2,0,0]=4 14825 B14R1.9 CCCCNCc1cccc(c1Cl)C 270004a_100000102301_100012017286 [0,2,0,0,0,0|2,0,0]=4 14826 B14R1.9 CCCCNCc1cccc(c1Cl)C 34a_100025705714_100000210210 [0,2,0,0,0,0|2,0,0]=4 14827 B14R1.9 CCCCNCc1cccc(c1Cl)Cl 207a_100000102301_100000210504 [0,2,0,0,0,0|2,0,0]=4 14828 B14R1.9 CCCCNCc1cccc(c1Cl)Cl 2230a_100000102301_100000723366 [0,2,0,0,0,0|2,0,0]=4 14829 B14R1.9 CCCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000210211 [0,2,0,0,0,0|2,0,0]=4 14830 B14R1.9 CCCCNCc1cccc(c1Cl)Cl 270004a_100000102301_100000210504 [0,2,0,0,0,0|2,0,0]=4 14831 B14R1.9 CCCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000210210 [0,2,0,0,0,0|2,0,0]=4 14832 B14R1.9 CCCCNCc1cccc(c1Cl)Cl 7a_106832991798_100000723366 [0,2,0,0,0,0|2,0,0]=4 14833 B14R1.9 CCCCNCc1cccc(c1Cl)F 207a_100000102301_100011998484 [0,2,0,0,0,0|2,0,0]=4 14834 B14R1.9 CCCCNCc1cccc(c1Cl)F 2230a_100000102301_100000696688 [0,2,0,0,0,0|2,0,0]=4 14835 B14R1.9 CCCCNCc1cccc(c1Cl)F 2230a_100012001614_100000210211 [0,2,0,0,0,0|2,0,0]=4 14836 B14R1.9 CCCCNCc1cccc(c1Cl)F 270004a_100000102301_100011998484 [0,2,0,0,0,0|2,0,0]=4 14837 B14R1.9 CCCCNCc1cccc(c1Cl)F 34a_100012001614_100000210210 [0,2,0,0,0,0|2,0,0]=4 14838 B14R1.9 CCCCNCc1cccc(c1Cl)F 7a_106832991798_100000696688 [0,2,0,0,0,0|2,0,0]=4 14839 B14R1.9 CCCCNCc1cccc(c1Cl)O 270004a_100000102301_100000050521 [0,2,0,0,0,0|2,0,0]=4 14840 B14R1.9 CCCCNCc1cccc(c1F)Br 207a_100000102301_100011361543 [0,2,0,0,0,0|2,0,0]=4 14841 B14R1.9 CCCCNCc1cccc(c1F)Br 2230a_100000102301_100012356506 [0,2,0,0,0,0|2,0,0]=4 14842 B14R1.9 CCCCNCc1cccc(c1F)Br 2230a_100015189953_100000210211 [0,2,0,0,0,0|2,0,0]=4 14843 B14R1.9 CCCCNCc1cccc(c1F)Br 270004a_100000102301_100011361543 [0,2,0,0,0,0|2,0,0]=4 14844 B14R1.9 CCCCNCc1cccc(c1F)Br 34a_100015189953_100000210210 [0,2,0,0,0,0|2,0,0]=4 14845 B14R1.9 CCCCNCc1cccc(c1F)Br 7a_106832991798_100012356506 [0,2,0,0,0,0|2,0,0]=4 14846 B14R1.9 CCCCNCc1cccc(c1F)C 207a_100000102301_100011219516 [0,2,0,0,0,0|2,0,0]=4 14847 B14R1.9 CCCCNCc1cccc(c1F)C 2230a_100000102301_100011216058 [0,2,0,0,0,0|2,0,0]=4 14848 B14R1.9 CCCCNCc1cccc(c1F)C 2230a_100012002060_100000210211 [0,2,0,0,0,0|2,0,0]=4 14849 B14R1.9 CCCCNCc1cccc(c1F)C 270004a_100000102301_100011219516 [0,2,0,0,0,0|2,0,0]=4 14850 B14R1.9 CCCCNCc1cccc(c1F)C 34a_100012002060_100000210210 [0,2,0,0,0,0|2,0,0]=4 14851 B14R1.9 CCCCNCc1cccc(c1F)C 7a_106832991798_100011216058 [0,2,0,0,0,0|2,0,0]=4 14852 B14R1.9 CCCCNCc1cccc(c1F)Cl 207a_100000102301_100000766533 [0,2,0,0,0,0|2,0,0]=4 14853 B14R1.9 CCCCNCc1cccc(c1F)Cl 2230a_100000102301_100000716733 [0,2,0,0,0,0|2,0,0]=4 14854 B14R1.9 CCCCNCc1cccc(c1F)Cl 2230a_100000764326_100000210211 [0,2,0,0,0,0|2,0,0]=4 14855 B14R1.9 CCCCNCc1cccc(c1F)Cl 270004a_100000102301_100000766533 [0,2,0,0,0,0|2,0,0]=4 14856 B14R1.9 CCCCNCc1cccc(c1F)Cl 34a_100000764326_100000210210 [0,2,0,0,0,0|2,0,0]=4 14857 B14R1.9 CCCCNCc1cccc(c1F)Cl 7a_106832991798_100000716733 [0,2,0,0,0,0|2,0,0]=4 14858 B14R1.9 CCCCNCc1cccc(c1F)F 207a_100000102301_100000753312 [0,2,0,0,0,0|2,0,0]=4 14859 B14R1.9 CCCCNCc1cccc(c1F)F 2230a_100000102301_100000217499 [0,2,0,0,0,0|2,0,0]=4 14860 B14R1.9 CCCCNCc1cccc(c1F)F 2230a_100011199105_100000210211 [0,2,0,0,0,0|2,0,0]=4 14861 B14R1.9 CCCCNCc1cccc(c1F)F 270004a_100000102301_100000753312 [0,2,0,0,0,0|2,0,0]=4 14862 B14R1.9 CCCCNCc1cccc(c1F)F 34a_100011199105_100000210210 [0,2,0,0,0,0|2,0,0]=4 14863 B14R1.9 CCCCNCc1cccc(c1F)F 7a_106832991798_100000217499 [0,2,0,0,0,0|2,0,0]=4 14864 B14R1.9 CCCCNCc1cccc(c1F)I 207a_100000102301_100010202174 [0,2,0,0,0,0|2,0,0]=4 14865 B14R1.9 CCCCNCc1cccc(c1F)I 270004a_100000102301_100010202174 [0,2,0,0,0,0|2,0,0]=4 14866 B14R1.9 CCCCNCc1cccc(c1F)O 271570a_203496583355_200012662977 [0,2,0,0,0,0|2,0,0]=4 14867 B14R1.9 CCCCNCc1cccc(c1F)O 34a_100025773512_100000210210 [0,2,0,0,0,0|2,0,0]=4 14868 B14R1.9 CCCCNCc1cccc(c1I)F 207a_100000102301_100010186293 [0,2,0,0,0,0|2,0,0]=4 14869 B14R1.9 CCCCNCc1cccc(c1I)F 2230a_100000102301_100010149603 [0,2,0,0,0,0|2,0,0]=4 14870 B14R1.9 CCCCNCc1cccc(c1I)F 270004a_100000102301_100010186293 [0,2,0,0,0,0|2,0,0]=4 14871 B14R1.9 CCCCNCc1cccc(c1I)F 7a_106832991798_100010149603 [0,2,0,0,0,0|2,0,0]=4 14872 B14R1.9 CCCCNCc1cccc(c1O)C 34a_100020639391_100000210210 [0,2,0,0,0,0|2,0,0]=4 14873 B14R1.9 CCCCOCc1cccc(c1Br)C 34a_100000210227_200012349612 [0,2,0,0,0,0|2,0,0]=4 14874 B14R1.9 CCCCOCc1cccc(c1Br)C 34a_100011659289_100000210210 [0,2,0,0,0,0|2,0,0]=4 14875 B14R1.9 CCCCOCc1cccc(c1Br)C 7a_100000210227_200012349612 [0,2,0,0,0,0|2,0,0]=4 14876 B14R1.9 CCCCOCc1cccc(c1Br)C 7a_100011659289_100000210211 [0,2,0,0,0,0|2,0,0]=4 14877 B14R1.9 CCCCOCc1cccc(c1Br)Cl 34a_100000210227_100010145525 [0,2,0,0,0,0|2,0,0]=4 14878 B14R1.9 CCCCOCc1cccc(c1Br)Cl 34a_100010168166_100000210210 [0,2,0,0,0,0|2,0,0]=4 14879 B14R1.9 CCCCOCc1cccc(c1Br)Cl 7a_100000210227_100010145525 [0,2,0,0,0,0|2,0,0]=4 14880 B14R1.9 CCCCOCc1cccc(c1Br)Cl 7a_100010168166_100000210211 [0,2,0,0,0,0|2,0,0]=4 14881 B14R1.9 CCCCOCc1cccc(c1Br)F 34a_100000210227_100012351116 [0,2,0,0,0,0|2,0,0]=4 14882 B14R1.9 CCCCOCc1cccc(c1Br)F 34a_100012351117_100000210210 [0,2,0,0,0,0|2,0,0]=4 14883 B14R1.9 CCCCOCc1cccc(c1Br)F 7a_100000210227_100012351116 [0,2,0,0,0,0|2,0,0]=4 14884 B14R1.9 CCCCOCc1cccc(c1Br)F 7a_100012351117_100000210211 [0,2,0,0,0,0|2,0,0]=4 14885 B14R1.9 CCCCOCc1cccc(c1Br)I 34a_100000210227_100010254545 [0,2,0,0,0,0|2,0,0]=4 14886 B14R1.9 CCCCOCc1cccc(c1Br)I 34a_100010240205_100000210210 [0,2,0,0,0,0|2,0,0]=4 14887 B14R1.9 CCCCOCc1cccc(c1Br)I 7a_100000210227_100010254545 [0,2,0,0,0,0|2,0,0]=4 14888 B14R1.9 CCCCOCc1cccc(c1Br)I 7a_100010240205_100000210211 [0,2,0,0,0,0|2,0,0]=4 14889 B14R1.9 CCCCOCc1cccc(c1C)Br 34a_100000210227_100000694682 [0,2,0,0,0,0|2,0,0]=4 14890 B14R1.9 CCCCOCc1cccc(c1C)Br 34a_100000694458_100000210210 [0,2,0,0,0,0|2,0,0]=4 14891 B14R1.9 CCCCOCc1cccc(c1C)Br 7a_100000210227_100000694682 [0,2,0,0,0,0|2,0,0]=4 14892 B14R1.9 CCCCOCc1cccc(c1C)Br 7a_100000694458_100000210211 [0,2,0,0,0,0|2,0,0]=4 14893 B14R1.9 CCCCOCc1cccc(c1C)C 34a_100000210227_100011273979 [0,2,0,0,0,0|2,0,0]=4 14894 B14R1.9 CCCCOCc1cccc(c1C)C 34a_100011219135_100000210210 [0,2,0,0,0,0|2,0,0]=4 14895 B14R1.9 CCCCOCc1cccc(c1C)C 7a_100000210227_100011515928 [0,2,0,0,0,0|2,0,0]=4 14896 B14R1.9 CCCCOCc1cccc(c1C)C 7a_100011219135_100000210211 [0,2,0,0,0,0|2,0,0]=4 14897 B14R1.9 CCCCOCc1cccc(c1C)Cl 34a_100000210227_100012186920 [0,2,0,0,0,0|2,0,0]=4 14898 B14R1.9 CCCCOCc1cccc(c1C)Cl 34a_100012000165_100000210210 [0,2,0,0,0,0|2,0,0]=4 14899 B14R1.9 CCCCOCc1cccc(c1C)Cl 7a_100000210227_100012186920 [0,2,0,0,0,0|2,0,0]=4 14900 B14R1.9 CCCCOCc1cccc(c1C)Cl 7a_100012000165_100000210211 [0,2,0,0,0,0|2,0,0]=4 14901 B14R1.9 CCCCOCc1cccc(c1C)F 34a_100000042775_100000210210 [0,2,0,0,0,0|2,0,0]=4 14902 B14R1.9 CCCCOCc1cccc(c1C)F 34a_100000210227_100009813626 [0,2,0,0,0,0|2,0,0]=4 14903 B14R1.9 CCCCOCc1cccc(c1C)F 7a_100000042775_100000210211 [0,2,0,0,0,0|2,0,0]=4 14904 B14R1.9 CCCCOCc1cccc(c1C)F 7a_100000210227_100009813626 [0,2,0,0,0,0|2,0,0]=4 14905 B14R1.9 CCCCOCc1cccc(c1C)I 34a_100000210227_100010150147 [0,2,0,0,0,0|2,0,0]=4 14906 B14R1.9 CCCCOCc1cccc(c1C)I 34a_100010150139_100000210210 [0,2,0,0,0,0|2,0,0]=4 14907 B14R1.9 CCCCOCc1cccc(c1C)I 7a_100000210227_100010150147 [0,2,0,0,0,0|2,0,0]=4 14908 B14R1.9 CCCCOCc1cccc(c1C)I 7a_100010150139_100000210211 [0,2,0,0,0,0|2,0,0]=4 14909 B14R1.9 CCCCOCc1cccc(c1C)N 34a_102495339961_100000210210 [0,2,0,0,0,0|2,0,0]=4 14910 B14R1.9 CCCCOCc1cccc(c1C)N 7a_102495339961_100000210211 [0,2,0,0,0,0|2,0,0]=4 14911 B14R1.9 CCCCOCc1cccc(c1Cl)Br 34a_100000210227_100012349491 [0,2,0,0,0,0|2,0,0]=4 14912 B14R1.9 CCCCOCc1cccc(c1Cl)Br 34a_100012351182_100000210210 [0,2,0,0,0,0|2,0,0]=4 14913 B14R1.9 CCCCOCc1cccc(c1Cl)Br 7a_100000210227_100012349491 [0,2,0,0,0,0|2,0,0]=4 14914 B14R1.9 CCCCOCc1cccc(c1Cl)Br 7a_100012351182_100000210211 [0,2,0,0,0,0|2,0,0]=4 14915 B14R1.9 CCCCOCc1cccc(c1Cl)C 34a_100000710031_100000210210 [0,2,0,0,0,0|2,0,0]=4 14916 B14R1.9 CCCCOCc1cccc(c1Cl)C 7a_100000710031_100000210211 [0,2,0,0,0,0|2,0,0]=4 14917 B14R1.9 CCCCOCc1cccc(c1Cl)Cl 34a_100000210227_100000723366 [0,2,0,0,0,0|2,0,0]=4 14918 B14R1.9 CCCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000210210 [0,2,0,0,0,0|2,0,0]=4 14919 B14R1.9 CCCCOCc1cccc(c1Cl)Cl 7a_100000210227_100000723366 [0,2,0,0,0,0|2,0,0]=4 14920 B14R1.9 CCCCOCc1cccc(c1Cl)Cl 7a_100000720469_100000210211 [0,2,0,0,0,0|2,0,0]=4 14921 B14R1.9 CCCCOCc1cccc(c1Cl)F 34a_100000210227_100000696688 [0,2,0,0,0,0|2,0,0]=4 14922 B14R1.9 CCCCOCc1cccc(c1Cl)F 34a_100000696319_100000210210 [0,2,0,0,0,0|2,0,0]=4 14923 B14R1.9 CCCCOCc1cccc(c1Cl)F 7a_100000210227_100000696688 [0,2,0,0,0,0|2,0,0]=4 14924 B14R1.9 CCCCOCc1cccc(c1Cl)F 7a_100000696319_100000210211 [0,2,0,0,0,0|2,0,0]=4 14925 B14R1.9 CCCCOCc1cccc(c1F)Br 34a_100000210227_100012356506 [0,2,0,0,0,0|2,0,0]=4 14926 B14R1.9 CCCCOCc1cccc(c1F)Br 34a_100011935076_100000210210 [0,2,0,0,0,0|2,0,0]=4 14927 B14R1.9 CCCCOCc1cccc(c1F)Br 7a_100000210227_100012356506 [0,2,0,0,0,0|2,0,0]=4 14928 B14R1.9 CCCCOCc1cccc(c1F)Br 7a_100011935076_100000210211 [0,2,0,0,0,0|2,0,0]=4 14929 B14R1.9 CCCCOCc1cccc(c1F)C 34a_100000210227_100011216058 [0,2,0,0,0,0|2,0,0]=4 14930 B14R1.9 CCCCOCc1cccc(c1F)C 34a_200011219517_100000210210 [0,2,0,0,0,0|2,0,0]=4 14931 B14R1.9 CCCCOCc1cccc(c1F)C 7a_100000210227_100011216058 [0,2,0,0,0,0|2,0,0]=4 14932 B14R1.9 CCCCOCc1cccc(c1F)C 7a_200011219517_100000210211 [0,2,0,0,0,0|2,0,0]=4 14933 B14R1.9 CCCCOCc1cccc(c1F)Cl 34a_100000210227_100000716733 [0,2,0,0,0,0|2,0,0]=4 14934 B14R1.9 CCCCOCc1cccc(c1F)Cl 34a_100011216988_100000210210 [0,2,0,0,0,0|2,0,0]=4 14935 B14R1.9 CCCCOCc1cccc(c1F)Cl 7a_100000210227_100000716733 [0,2,0,0,0,0|2,0,0]=4 14936 B14R1.9 CCCCOCc1cccc(c1F)Cl 7a_100011216988_100000210211 [0,2,0,0,0,0|2,0,0]=4 14937 B14R1.9 CCCCOCc1cccc(c1F)F 34a_100000210227_100000217499 [0,2,0,0,0,0|2,0,0]=4 14938 B14R1.9 CCCCOCc1cccc(c1F)F 34a_100011218644_100000210210 [0,2,0,0,0,0|2,0,0]=4 14939 B14R1.9 CCCCOCc1cccc(c1F)F 7a_100000210227_100000217499 [0,2,0,0,0,0|2,0,0]=4 14940 B14R1.9 CCCCOCc1cccc(c1F)F 7a_100011218644_100000210211 [0,2,0,0,0,0|2,0,0]=4 14941 B14R1.9 CCCCOCc1cccc(c1F)I 34a_200010235739_100000210210 [0,2,0,0,0,0|2,0,0]=4 14942 B14R1.9 CCCCOCc1cccc(c1F)I 7a_200010235739_100000210211 [0,2,0,0,0,0|2,0,0]=4 14943 B14R1.9 CCCCOCc1cccc(c1F)N 34a_100012023829_100000210210 [0,2,0,0,0,0|2,0,0]=4 14944 B14R1.9 CCCCOCc1cccc(c1I)Br 34a_100010146604_100000210210 [0,2,0,0,0,0|2,0,0]=4 14945 B14R1.9 CCCCOCc1cccc(c1I)Br 7a_100010146604_100000210211 [0,2,0,0,0,0|2,0,0]=4 14946 B14R1.9 CCCCOCc1cccc(c1I)C 34a_100012349780_100000210210 [0,2,0,0,0,0|2,0,0]=4 14947 B14R1.9 CCCCOCc1cccc(c1I)C 7a_100012349780_100000210211 [0,2,0,0,0,0|2,0,0]=4 14948 B14R1.9 CCCCOCc1cccc(c1I)F 34a_100000210227_100010149603 [0,2,0,0,0,0|2,0,0]=4 14949 B14R1.9 CCCCOCc1cccc(c1I)F 34a_100000692438_100000210210 [0,2,0,0,0,0|2,0,0]=4 14950 B14R1.9 CCCCOCc1cccc(c1I)F 7a_100000210227_100010149603 [0,2,0,0,0,0|2,0,0]=4 14951 B14R1.9 CCCCOCc1cccc(c1I)F 7a_100000692438_100000210211 [0,2,0,0,0,0|2,0,0]=4 14952 B14R1.9 CCCCOCc1cccc(c1N)Br 34a_100012349457_100000210210 [0,2,0,0,0,0|2,0,0]=4 14953 B14R1.9 CCCCOCc1cccc(c1N)C 34a_100011215590_100000210210 [0,2,0,0,0,0|2,0,0]=4 14954 B14R1.9 CCCCOCc1cccc(c1N)Cl 34a_100012182729_100000210210 [0,2,0,0,0,0|2,0,0]=4 14955 B14R1.9 CCCCOCc1cccc(c1N)F 34a_100000692437_100000210210 [0,2,0,0,0,0|2,0,0]=4 14956 B14R1.9 CCCCSCc1cccc(c1Br)C 62a_100000210211_200012349612 [0,2,0,0,0,0|2,0,0]=4 14957 B14R1.9 CCCCSCc1cccc(c1Br)C 62a_200012349612_100000210210 [0,2,0,0,0,0|2,0,0]=4 14958 B14R1.9 CCCCSCc1cccc(c1Br)Cl 62a_100000210211_100010145525 [0,2,0,0,0,0|2,0,0]=4 14959 B14R1.9 CCCCSCc1cccc(c1Br)Cl 62a_100010145525_100000210210 [0,2,0,0,0,0|2,0,0]=4 14960 B14R1.9 CCCCSCc1cccc(c1Br)F 62a_100000210211_100012351116 [0,2,0,0,0,0|2,0,0]=4 14961 B14R1.9 CCCCSCc1cccc(c1Br)F 62a_100012351116_100000210210 [0,2,0,0,0,0|2,0,0]=4 14962 B14R1.9 CCCCSCc1cccc(c1Br)I 62a_100000210211_100010254545 [0,2,0,0,0,0|2,0,0]=4 14963 B14R1.9 CCCCSCc1cccc(c1Br)I 62a_100010254545_100000210210 [0,2,0,0,0,0|2,0,0]=4 14964 B14R1.9 CCCCSCc1cccc(c1C)Br 62a_100000210211_100000694682 [0,2,0,0,0,0|2,0,0]=4 14965 B14R1.9 CCCCSCc1cccc(c1C)Br 62a_100000694682_100000210210 [0,2,0,0,0,0|2,0,0]=4 14966 B14R1.9 CCCCSCc1cccc(c1C)C 62a_100000210211_100011515928 [0,2,0,0,0,0|2,0,0]=4 14967 B14R1.9 CCCCSCc1cccc(c1C)C 62a_100011515928_100000210210 [0,2,0,0,0,0|2,0,0]=4 14968 B14R1.9 CCCCSCc1cccc(c1C)Cl 62a_100000210211_100012186920 [0,2,0,0,0,0|2,0,0]=4 14969 B14R1.9 CCCCSCc1cccc(c1C)Cl 62a_100012186920_100000210210 [0,2,0,0,0,0|2,0,0]=4 14970 B14R1.9 CCCCSCc1cccc(c1C)F 62a_100000210211_100009813626 [0,2,0,0,0,0|2,0,0]=4 14971 B14R1.9 CCCCSCc1cccc(c1C)F 62a_100009813626_100000210210 [0,2,0,0,0,0|2,0,0]=4 14972 B14R1.9 CCCCSCc1cccc(c1C)I 62a_100000210211_100010150147 [0,2,0,0,0,0|2,0,0]=4 14973 B14R1.9 CCCCSCc1cccc(c1C)I 62a_100010150147_100000210210 [0,2,0,0,0,0|2,0,0]=4 14974 B14R1.9 CCCCSCc1cccc(c1Cl)Br 62a_100000210211_100012349491 [0,2,0,0,0,0|2,0,0]=4 14975 B14R1.9 CCCCSCc1cccc(c1Cl)Br 62a_100012349491_100000210210 [0,2,0,0,0,0|2,0,0]=4 14976 B14R1.9 CCCCSCc1cccc(c1Cl)Cl 62a_100000210211_100000723366 [0,2,0,0,0,0|2,0,0]=4 14977 B14R1.9 CCCCSCc1cccc(c1Cl)Cl 62a_100000720918_100000210210 [0,2,0,0,0,0|2,0,0]=4 14978 B14R1.9 CCCCSCc1cccc(c1Cl)F 62a_100000210211_100000696688 [0,2,0,0,0,0|2,0,0]=4 14979 B14R1.9 CCCCSCc1cccc(c1Cl)F 62a_100000696688_100000210210 [0,2,0,0,0,0|2,0,0]=4 14980 B14R1.9 CCCCSCc1cccc(c1F)Br 62a_100000210211_100012356506 [0,2,0,0,0,0|2,0,0]=4 14981 B14R1.9 CCCCSCc1cccc(c1F)Br 62a_100012356506_100000210210 [0,2,0,0,0,0|2,0,0]=4 14982 B14R1.9 CCCCSCc1cccc(c1F)C 62a_100000210211_100011216058 [0,2,0,0,0,0|2,0,0]=4 14983 B14R1.9 CCCCSCc1cccc(c1F)C 62a_100011216058_100000210210 [0,2,0,0,0,0|2,0,0]=4 14984 B14R1.9 CCCCSCc1cccc(c1F)Cl 62a_100000210211_100000716733 [0,2,0,0,0,0|2,0,0]=4 14985 B14R1.9 CCCCSCc1cccc(c1F)Cl 62a_100000716733_100000210210 [0,2,0,0,0,0|2,0,0]=4 14986 B14R1.9 CCCCSCc1cccc(c1F)F 62a_100000210211_100000217499 [0,2,0,0,0,0|2,0,0]=4 14987 B14R1.9 CCCCSCc1cccc(c1F)F 62a_100000217499_100000210210 [0,2,0,0,0,0|2,0,0]=4 14988 B14R1.9 CCCCSCc1cccc(c1I)F 62a_100000210211_100010149603 [0,2,0,0,0,0|2,0,0]=4 14989 B14R1.9 CCCCSCc1cccc(c1I)F 62a_100010149603_100000210210 [0,2,0,0,0,0|2,0,0]=4 14990 B14R1.9 CCCNCCc1cccc(c1C)Br 2230a_100161000114_100000210303 [0,2,0,0,0,0|2,0,0]=4 14991 B14R1.9 CCCNCCc1cccc(c1C)Br 34a_100161000114_100000210303 [0,2,0,0,0,0|2,0,0]=4 14992 B14R1.9 CCCNCCc1cccc(c1Cl)Cl 2230a_100000741019_100000210303 [0,2,0,0,0,0|2,0,0]=4 14993 B14R1.9 CCCNCCc1cccc(c1Cl)Cl 34a_100000741019_100000210303 [0,2,0,0,0,0|2,0,0]=4 14994 B14R1.9 CCCOCCc1cccc(c1Cl)Cl 34a_100000210258_100000723033 [0,2,0,0,0,0|2,0,0]=4 14995 B14R1.9 CCCOCCc1cccc(c1Cl)Cl 34a_100011754357_100000210303 [0,2,0,0,0,0|2,0,0]=4 14996 B14R1.9 CCCOCCc1cccc(c1Cl)Cl 7a_100011754357_100000210303 [0,2,0,0,0,0|2,0,0]=4 14997 B14R1.9 CCCOCCc1cccc(c1F)Cl 34a_100011830271_100000210303 [0,2,0,0,0,0|2,0,0]=4 14998 B14R1.9 CCCOCCc1cccc(c1F)Cl 7a_100011830271_100000210303 [0,2,0,0,0,0|2,0,0]=4 14999 B14R1.9 CCCOCCc1cccc(c1F)F 34a_100000698707_100000210303 [0,2,0,0,0,0|2,0,0]=4 15000 B14R1.9 CCCOCCc1cccc(c1F)F 7a_100000698707_100000210303 [0,2,0,0,0,0|2,0,0]=4 15001 B14R1.9 CCCSCCc1cccc(c1Cl)Cl 62a_100000210303_100000723033 [0,2,0,0,0,0|2,0,0]=4 15002 B14R1.9 CCCSCCc1cccc(c1Cl)Cl 62a_100000723033_100000210303 [0,2,0,0,0,0|2,0,0]=4 15003 B14R1.9 Cc1c(cccc1CCNCCF)Br 2230a_100161000114_100011217306 [0,2,0,0,0,0|2,0,0]=4 15004 B14R1.9 Cc1c(cccc1CCNCCF)Br 34a_100161000114_100011217306 [0,2,0,0,0,0|2,0,0]=4 15005 B14R1.9 Cc1c(cccc1CCNCCO)Br 2230a_100161000114_100000211926 [0,2,0,0,0,0|1,0,0]=3 15006 B14R1.9 Cc1c(cccc1CCNCCO)Br 34a_100161000114_100000211926 [0,2,0,0,0,0|1,0,0]=3 15007 B14R1.9 Cc1c(cccc1CNCCCF)Br 207a_100015189416_100012179384 [0,2,0,0,0,0|2,0,0]=4 15008 B14R1.9 Cc1c(cccc1CNCCCF)Br 2230a_100015189416_100000694682 [0,2,0,0,0,0|2,0,0]=4 15009 B14R1.9 Cc1c(cccc1CNCCCF)Br 270004a_100015189416_100012179384 [0,2,0,0,0,0|2,0,0]=4 15010 B14R1.9 Cc1c(cccc1CNCCCF)Br 34a_100000724210_100011934791 [0,2,0,0,0,0|2,0,0]=4 15011 B14R1.9 Cc1c(cccc1CNCCCF)Br 34a_100015189416_100000694682 [0,2,0,0,0,0|2,0,0]=4 15012 B14R1.9 Cc1c(cccc1CNCCCF)Cl 207a_100015189416_100012002129 [0,2,0,0,0,0|2,0,0]=4 15013 B14R1.9 Cc1c(cccc1CNCCCF)Cl 2230a_100015189416_100012186920 [0,2,0,0,0,0|2,0,0]=4 15014 B14R1.9 Cc1c(cccc1CNCCCF)Cl 2230a_100020639605_100011934791 [0,2,0,0,0,0|2,0,0]=4 15015 B14R1.9 Cc1c(cccc1CNCCCF)Cl 270004a_100015189416_100012002129 [0,2,0,0,0,0|2,0,0]=4 15016 B14R1.9 Cc1c(cccc1CNCCCF)Cl 34a_100015189416_100012186920 [0,2,0,0,0,0|2,0,0]=4 15017 B14R1.9 Cc1c(cccc1CNCCCF)Cl 34a_100020639605_100011934791 [0,2,0,0,0,0|2,0,0]=4 15018 B14R1.9 Cc1c(cccc1CNCCCF)F 207a_100015189416_100000037668 [0,2,0,0,0,0|2,0,0]=4 15019 B14R1.9 Cc1c(cccc1CNCCCF)F 2230a_100015189416_100009813626 [0,2,0,0,0,0|2,0,0]=4 15020 B14R1.9 Cc1c(cccc1CNCCCF)F 2230a_100132306986_100011934791 [0,2,0,0,0,0|2,0,0]=4 15021 B14R1.9 Cc1c(cccc1CNCCCF)F 270004a_100015189416_100000037668 [0,2,0,0,0,0|2,0,0]=4 15022 B14R1.9 Cc1c(cccc1CNCCCF)F 34a_100015189416_100009813626 [0,2,0,0,0,0|2,0,0]=4 15023 B14R1.9 Cc1c(cccc1CNCCCF)F 34a_100132306986_100011934791 [0,2,0,0,0,0|2,0,0]=4 15024 B14R1.9 Cc1c(cccc1CNCCCF)I 2230a_100015189416_100010150147 [0,2,0,0,0,0|2,0,0]=4 15025 B14R1.9 Cc1c(cccc1CNCCCF)I 34a_100015189416_100010150147 [0,2,0,0,0,0|2,0,0]=4 15026 B14R1.9 Cc1c(cccc1CNCCCF)O 270004a_100015189416_100009868165 [0,2,0,0,0,0|2,0,0]=4 15027 B14R1.9 Cc1c(cccc1CNCCCO)Br 207a_100000182051_100012179384 [0,2,0,0,0,0|1,0,0]=3 15028 B14R1.9 Cc1c(cccc1CNCCCO)Br 270004a_100000182051_100012179384 [0,2,0,0,0,0|1,0,0]=3 15029 B14R1.9 Cc1c(cccc1CNCCCO)Br 34a_100000724210_100000230001 [0,2,0,0,0,0|1,0,0]=3 15030 B14R1.9 Cc1c(cccc1CNCCCO)Cl 207a_100000182051_100012002129 [0,2,0,0,0,0|1,0,0]=3 15031 B14R1.9 Cc1c(cccc1CNCCCO)Cl 2230a_100020639605_100000230001 [0,2,0,0,0,0|1,0,0]=3 15032 B14R1.9 Cc1c(cccc1CNCCCO)Cl 270004a_100000182051_100012002129 [0,2,0,0,0,0|1,0,0]=3 15033 B14R1.9 Cc1c(cccc1CNCCCO)Cl 34a_100020639605_100000230001 [0,2,0,0,0,0|1,0,0]=3 15034 B14R1.9 Cc1c(cccc1CNCCCO)F 207a_100000182051_100000037668 [0,2,0,0,0,0|1,0,0]=3 15035 B14R1.9 Cc1c(cccc1CNCCCO)F 2230a_100132306986_100000230001 [0,2,0,0,0,0|1,0,0]=3 15036 B14R1.9 Cc1c(cccc1CNCCCO)F 270004a_100000182051_100000037668 [0,2,0,0,0,0|1,0,0]=3 15037 B14R1.9 Cc1c(cccc1CNCCCO)F 34a_100132306986_100000230001 [0,2,0,0,0,0|1,0,0]=3 15038 B14R1.9 Cc1c(cccc1CNCCCO)O 270004a_100000182051_100009868165 [0,2,0,0,0,0|1,0,0]=3 15039 B14R1.9 Cc1c(cccc1COCCCBr)Br 34a_100011217188_100000694682 [0,2,0,0,0,0|2,0,0]=4 15040 B14R1.9 Cc1c(cccc1COCCCBr)Cl 34a_100011217188_100012186920 [0,2,0,0,0,0|2,0,0]=4 15041 B14R1.9 Cc1c(cccc1COCCCBr)F 34a_100011217188_100009813626 [0,2,0,0,0,0|2,0,0]=4 15042 B14R1.9 Cc1c(cccc1COCCCBr)I 34a_100011217188_100010150147 [0,2,0,0,0,0|2,0,0]=4 15043 B14R1.9 Cc1c(cccc1COCCCCl)Br 34a_100000230001_100000694682 [0,2,0,0,0,0|2,0,0]=4 15044 B14R1.9 Cc1c(cccc1COCCCCl)Cl 34a_100000230001_100012186920 [0,2,0,0,0,0|2,0,0]=4 15045 B14R1.9 Cc1c(cccc1COCCCCl)F 34a_100000230001_100009813626 [0,2,0,0,0,0|2,0,0]=4 15046 B14R1.9 Cc1c(cccc1COCCCCl)I 34a_100000230001_100010150147 [0,2,0,0,0,0|2,0,0]=4 15047 B14R1.9 Cc1c(cccc1COCCCF)Br 34a_100000694458_100011934791 [0,2,0,0,0,0|2,0,0]=4 15048 B14R1.9 Cc1c(cccc1COCCCF)Br 34a_100000759539_100000694682 [0,2,0,0,0,0|2,0,0]=4 15049 B14R1.9 Cc1c(cccc1COCCCF)Br 7a_100000694458_100011934791 [0,2,0,0,0,0|2,0,0]=4 15050 B14R1.9 Cc1c(cccc1COCCCF)Cl 34a_100000759539_100012186920 [0,2,0,0,0,0|2,0,0]=4 15051 B14R1.9 Cc1c(cccc1COCCCF)Cl 34a_100012000165_100011934791 [0,2,0,0,0,0|2,0,0]=4 15052 B14R1.9 Cc1c(cccc1COCCCF)Cl 7a_100012000165_100011934791 [0,2,0,0,0,0|2,0,0]=4 15053 B14R1.9 Cc1c(cccc1COCCCF)F 34a_100000042775_100011934791 [0,2,0,0,0,0|2,0,0]=4 15054 B14R1.9 Cc1c(cccc1COCCCF)F 34a_100000759539_100009813626 [0,2,0,0,0,0|2,0,0]=4 15055 B14R1.9 Cc1c(cccc1COCCCF)F 7a_100000042775_100011934791 [0,2,0,0,0,0|2,0,0]=4 15056 B14R1.9 Cc1c(cccc1COCCCF)I 34a_100000759539_100010150147 [0,2,0,0,0,0|2,0,0]=4 15057 B14R1.9 Cc1c(cccc1COCCCF)I 34a_100010150139_100011934791 [0,2,0,0,0,0|2,0,0]=4 15058 B14R1.9 Cc1c(cccc1COCCCF)I 7a_100010150139_100011934791 [0,2,0,0,0,0|2,0,0]=4 15059 B14R1.9 Cc1c(cccc1COCCCF)N 34a_102495339961_100011934791 [0,2,0,0,0,0|2,0,0]=4 15060 B14R1.9 Cc1c(cccc1COCCCF)N 7a_102495339961_100011934791 [0,2,0,0,0,0|2,0,0]=4 15061 B14R1.9 Cc1c(cccc1COCCCN)Br 34a_100000182051_100000694682 [0,2,0,0,0,0|2,0,0]=4 15062 B14R1.9 Cc1c(cccc1COCCCN)Cl 34a_100000182051_100012186920 [0,2,0,0,0,0|2,0,0]=4 15063 B14R1.9 Cc1c(cccc1COCCCN)F 34a_100000182051_100009813626 [0,2,0,0,0,0|2,0,0]=4 15064 B14R1.9 Cc1c(cccc1COCCCN)I 34a_100000182051_100010150147 [0,2,0,0,0,0|2,0,0]=4 15065 B14R1.9 Cc1c(cccc1COCCCO)Br 34a_100000694458_100000230001 [0,2,0,0,0,0|1,0,0]=3 15066 B14R1.9 Cc1c(cccc1COCCCO)Br 7a_100000694458_100011215043 [0,2,0,0,0,0|1,0,0]=3 15067 B14R1.9 Cc1c(cccc1COCCCO)Cl 34a_100012000165_100000230001 [0,2,0,0,0,0|1,0,0]=3 15068 B14R1.9 Cc1c(cccc1COCCCO)Cl 7a_100012000165_100011215043 [0,2,0,0,0,0|1,0,0]=3 15069 B14R1.9 Cc1c(cccc1COCCCO)F 34a_100000042775_100000230001 [0,2,0,0,0,0|1,0,0]=3 15070 B14R1.9 Cc1c(cccc1COCCCO)F 7a_100000042775_100011215043 [0,2,0,0,0,0|1,0,0]=3 15071 B14R1.9 Cc1c(cccc1COCCCO)I 34a_100010150139_100000230001 [0,2,0,0,0,0|1,0,0]=3 15072 B14R1.9 Cc1c(cccc1COCCCO)I 7a_100010150139_100011215043 [0,2,0,0,0,0|1,0,0]=3 15073 B14R1.9 Cc1c(cccc1COCCCO)N 34a_102495339961_100000230001 [0,2,0,0,0,0|1,0,0]=3 15074 B14R1.9 Cc1c(cccc1COCCCO)N 7a_102495339961_100011215043 [0,2,0,0,0,0|1,0,0]=3 15075 B14R1.9 Cc1c(cccc1CSCCCF)Br 62a_100000694682_100011934791 [0,2,0,0,0,0|2,0,0]=4 15076 B14R1.9 Cc1c(cccc1CSCCCF)Br 62a_100011934791_100000694682 [0,2,0,0,0,0|2,0,0]=4 15077 B14R1.9 Cc1c(cccc1CSCCCF)Cl 62a_100011934791_100012186920 [0,2,0,0,0,0|2,0,0]=4 15078 B14R1.9 Cc1c(cccc1CSCCCF)Cl 62a_100012186920_100011934791 [0,2,0,0,0,0|2,0,0]=4 15079 B14R1.9 Cc1c(cccc1CSCCCF)F 62a_100009813626_100011934791 [0,2,0,0,0,0|2,0,0]=4 15080 B14R1.9 Cc1c(cccc1CSCCCF)F 62a_100011934791_100009813626 [0,2,0,0,0,0|2,0,0]=4 15081 B14R1.9 Cc1c(cccc1CSCCCF)I 62a_100010150147_100011934791 [0,2,0,0,0,0|2,0,0]=4 15082 B14R1.9 Cc1c(cccc1CSCCCF)I 62a_100011934791_100010150147 [0,2,0,0,0,0|2,0,0]=4 15083 B14R1.9 Cc1c(cccc1CSCCCO)Br 62a_100000694682_100011215043 [0,2,0,0,0,0|1,0,0]=3 15084 B14R1.9 Cc1c(cccc1CSCCCO)Br 62a_100011215043_100000694682 [0,2,0,0,0,0|1,0,0]=3 15085 B14R1.9 Cc1c(cccc1CSCCCO)Cl 62a_100011215043_100012186920 [0,2,0,0,0,0|1,0,0]=3 15086 B14R1.9 Cc1c(cccc1CSCCCO)Cl 62a_100012186920_100011215043 [0,2,0,0,0,0|1,0,0]=3 15087 B14R1.9 Cc1c(cccc1CSCCCO)F 62a_100009813626_100011215043 [0,2,0,0,0,0|1,0,0]=3 15088 B14R1.9 Cc1c(cccc1CSCCCO)F 62a_100011215043_100009813626 [0,2,0,0,0,0|1,0,0]=3 15089 B14R1.9 Cc1c(cccc1CSCCCO)I 62a_100010150147_100011215043 [0,2,0,0,0,0|1,0,0]=3 15090 B14R1.9 Cc1c(cccc1CSCCCO)I 62a_100011215043_100010150147 [0,2,0,0,0,0|1,0,0]=3 15091 B14R1.9 Cc1c(cccc1NCCCCF)Br 34a_100000750434_100000729493 [0,2,0,0,0,0|2,0,0]=4 15092 B14R1.9 Cc1c(cccc1NCCCCF)Cl 2230a_100000210441_100000729493 [0,2,0,0,0,0|2,0,0]=4 15093 B14R1.9 Cc1c(cccc1NCCCCF)Cl 34a_100000210441_100000729493 [0,2,0,0,0,0|2,0,0]=4 15094 B14R1.9 Cc1c(cccc1NCCCCF)Cl 7a_100000210441_100000729493 [0,2,0,0,0,0|2,0,0]=4 15095 B14R1.9 Cc1c(cccc1NCCCCF)F 34a_100000745574_100000729493 [0,2,0,0,0,0|2,0,0]=4 15096 B14R1.9 Cc1c(cccc1NCCCCF)F 7a_100000745574_100000729493 [0,2,0,0,0,0|2,0,0]=4 15097 B14R1.9 Cc1c(cccc1NCCCCF)I 34a_100000761887_100000729493 [0,2,0,0,0,0|2,0,0]=4 15098 B14R1.9 Cc1c(cccc1NCCCCF)O 34a_100011216573_100000729493 [0,2,0,0,0,0|2,0,0]=4 15099 B14R1.9 Cc1c(cccc1NCCCCF)O 7a_100011216573_100000729493 [0,2,0,0,0,0|2,0,0]=4 15100 B14R1.9 Cc1c(cccc1NCCCCO)Br 34a_100000750434_100011216708 [0,2,0,0,0,0|1,0,0]=3 15101 B14R1.9 Cc1c(cccc1NCCCCO)Cl 2230a_100000210441_100000210776 [0,2,0,0,0,0|1,0,0]=3 15102 B14R1.9 Cc1c(cccc1NCCCCO)Cl 34a_100000210441_100011216708 [0,2,0,0,0,0|1,0,0]=3 15103 B14R1.9 Cc1c(cccc1NCCCCO)Cl 7a_100000210441_100000210776 [0,2,0,0,0,0|1,0,0]=3 15104 B14R1.9 Cc1c(cccc1NCCCCO)F 34a_100000745574_100011216708 [0,2,0,0,0,0|1,0,0]=3 15105 B14R1.9 Cc1c(cccc1NCCCCO)F 7a_100000745574_100000210776 [0,2,0,0,0,0|1,0,0]=3 15106 B14R1.9 Cc1c(cccc1NCCCCO)I 34a_100000761887_100011216708 [0,2,0,0,0,0|1,0,0]=3 15107 B14R1.9 Cc1c(cccc1NCCCCO)O 34a_100011216573_100011216708 [0,2,0,0,0,0|1,0,0]=3 15108 B14R1.9 Cc1c(cccc1NCCCCO)O 7a_100011216573_100000210776 [0,2,0,0,0,0|1,0,0]=3 15109 B14R1.9 Cc1c(cccc1OCCCCF)Br 34a_100012002258_100000729493 [0,2,0,0,0,0|2,0,0]=4 15110 B14R1.9 Cc1c(cccc1OCCCCF)Br 7a_100012002258_100000729493 [0,2,0,0,0,0|2,0,0]=4 15111 B14R1.9 Cc1c(cccc1OCCCCF)Cl 34a_100011265684_100000729493 [0,2,0,0,0,0|2,0,0]=4 15112 B14R1.9 Cc1c(cccc1OCCCCF)Cl 7a_100011265684_100000729493 [0,2,0,0,0,0|2,0,0]=4 15113 B14R1.9 Cc1c(cccc1OCCCCF)F 34a_100011217231_100000729493 [0,2,0,0,0,0|2,0,0]=4 15114 B14R1.9 Cc1c(cccc1OCCCCF)F 7a_100011217231_100000729493 [0,2,0,0,0,0|2,0,0]=4 15115 B14R1.9 Cc1c(cccc1OCCCCF)N 34a_100011216573_100000729493 [0,2,0,0,0,0|2,0,0]=4 15116 B14R1.9 Cc1c(cccc1OCCCCF)N 7a_100011216573_100000729493 [0,2,0,0,0,0|2,0,0]=4 15117 B14R1.9 Cc1c(cccc1OCCCCO)Br 34a_100012002258_100011216708 [0,2,0,0,0,0|1,0,0]=3 15118 B14R1.9 Cc1c(cccc1OCCCCO)Br 7a_100012002258_100000210776 [0,2,0,0,0,0|1,0,0]=3 15119 B14R1.9 Cc1c(cccc1OCCCCO)Cl 34a_100011265684_100011216708 [0,2,0,0,0,0|1,0,0]=3 15120 B14R1.9 Cc1c(cccc1OCCCCO)Cl 7a_100011265684_100000210776 [0,2,0,0,0,0|1,0,0]=3 15121 B14R1.9 Cc1c(cccc1OCCCCO)F 34a_100011217231_100011216708 [0,2,0,0,0,0|1,0,0]=3 15122 B14R1.9 Cc1c(cccc1OCCCCO)F 7a_100011217231_100000210776 [0,2,0,0,0,0|1,0,0]=3 15123 B14R1.9 Cc1c(cccc1OCCCCO)N 34a_100011216573_100011216708 [0,2,0,0,0,0|1,0,0]=3 15124 B14R1.9 Cc1c(cccc1OCCCCO)N 7a_100011216573_100000210776 [0,2,0,0,0,0|1,0,0]=3 15125 B14R1.9 Cc1c(cccc1SCCCCF)Br 62a_100000729493_100012353703 [0,2,0,0,0,0|2,0,0]=4 15126 B14R1.9 Cc1c(cccc1SCCCCF)Br 62a_100012353703_100000729493 [0,2,0,0,0,0|2,0,0]=4 15127 B14R1.9 Cc1c(cccc1SCCCCF)Cl 62a_100000726075_100000729493 [0,2,0,0,0,0|2,0,0]=4 15128 B14R1.9 Cc1c(cccc1SCCCCF)Cl 62a_100000729493_100000726075 [0,2,0,0,0,0|2,0,0]=4 15129 B14R1.9 Cc1c(cccc1SCCCCF)F 62a_100000729493_100011216893 [0,2,0,0,0,0|2,0,0]=4 15130 B14R1.9 Cc1c(cccc1SCCCCF)F 62a_100011216893_100000729493 [0,2,0,0,0,0|2,0,0]=4 15131 B14R1.9 Cc1c(cccc1SCCCCF)N 62a_100000729493_100000761887 [0,2,0,0,0,0|2,0,0]=4 15132 B14R1.9 Cc1c(cccc1SCCCCF)N 62a_100000761887_100000729493 [0,2,0,0,0,0|2,0,0]=4 15133 B14R1.9 Cc1c(cccc1SCCCCF)O 62a_100000729493_100012002258 [0,2,0,0,0,0|2,0,0]=4 15134 B14R1.9 Cc1c(cccc1SCCCCF)O 62a_100012002258_100000729493 [0,2,0,0,0,0|2,0,0]=4 15135 B14R1.9 Cc1c(cccc1SCCCCO)Br 62a_100000210776_100012353703 [0,2,0,0,0,0|1,0,0]=3 15136 B14R1.9 Cc1c(cccc1SCCCCO)Br 62a_100012353703_100000210776 [0,2,0,0,0,0|1,0,0]=3 15137 B14R1.9 Cc1c(cccc1SCCCCO)Cl 62a_100000210776_100000726075 [0,2,0,0,0,0|1,0,0]=3 15138 B14R1.9 Cc1c(cccc1SCCCCO)Cl 62a_100000726075_100000210776 [0,2,0,0,0,0|1,0,0]=3 15139 B14R1.9 Cc1c(cccc1SCCCCO)F 62a_100000210776_100011216893 [0,2,0,0,0,0|1,0,0]=3 15140 B14R1.9 Cc1c(cccc1SCCCCO)F 62a_100011216893_100000210776 [0,2,0,0,0,0|1,0,0]=3 15141 B14R1.9 Cc1c(cccc1SCCCCO)N 62a_100000210776_100000761887 [0,2,0,0,0,0|1,0,0]=3 15142 B14R1.9 Cc1c(cccc1SCCCCO)N 62a_100000761887_100000210776 [0,2,0,0,0,0|1,0,0]=3 15143 B14R1.9 Cc1c(cccc1SCCCCO)O 62a_100000210776_100012002258 [0,2,0,0,0,0|1,0,0]=3 15144 B14R1.9 Cc1c(cccc1SCCCCO)O 62a_100012002258_100000210776 [0,2,0,0,0,0|1,0,0]=3 15145 B14R1.9 Cc1c(ccnc1CSCCCO)Cl 62a_100011215043_100020614443 [0,2,0,0,0,0|2,0,0]=4 15146 B14R1.9 Cc1c(ccnc1CSCCCO)Cl 62a_100020614443_100011215043 [0,2,0,0,0,0|2,0,0]=4 15147 B14R1.9 Cc1c(ccnc1Cl)CNCCCO 207a_100000182051_100000096011 [0,2,0,0,0,0|2,0,0]=4 15148 B14R1.9 Cc1c(ccnc1Cl)CNCCCO 270004a_100000182051_100000096011 [0,2,0,0,0,0|2,0,0]=4 15149 B14R1.9 Cc1c(ccnc1Cl)SCCCCO 62a_100000047055_100000210776 [0,2,0,0,0,0|2,0,0]=4 15150 B14R1.9 Cc1c(ccnc1Cl)SCCCCO 62a_100000210776_100000047055 [0,2,0,0,0,0|2,0,0]=4 15151 B14R1.9 Cc1c(ccnc1F)NCCCCO 27a_100000750430_100010006593 [0,2,0,0,0,0|2,0,0]=4 15152 B14R1.9 Cc1c(ccnc1F)SCCCCO 62a_100000210776_100010006593 [0,2,0,0,0,0|2,0,0]=4 15153 B14R1.9 Cc1c(ccnc1F)SCCCCO 62a_100010006593_100000210776 [0,2,0,0,0,0|2,0,0]=4 15154 B14R1.9 Cc1c(ccnc1N)SCCCCO 62a_100000210776_100009865460 [0,2,0,0,0,0|2,0,0]=4 15155 B14R1.9 Cc1c(ccnc1N)SCCCCO 62a_100009865460_100000210776 [0,2,0,0,0,0|2,0,0]=4 15156 B14R1.9 Cc1c(ccnc1NCCCCO)F 27a_100000750430_100009846374 [0,2,0,0,0,0|2,0,0]=4 15157 B14R1.9 Cc1c(ccnc1O)SCCCCO 62a_100000210776_100009858498 [0,2,0,0,0,0|2,0,0]=4 15158 B14R1.9 Cc1c(ccnc1O)SCCCCO 62a_100009858498_100000210776 [0,2,0,0,0,0|2,0,0]=4 15159 B14R1.9 Cc1c(ccnc1OCCCCO)Br 34a_100009858498_100011216708 [0,2,0,0,0,0|2,0,0]=4 15160 B14R1.9 Cc1c(ccnc1SCCCCO)F 62a_100000210776_100009846374 [0,2,0,0,0,0|2,0,0]=4 15161 B14R1.9 Cc1c(ccnc1SCCCCO)F 62a_100009846374_100000210776 [0,2,0,0,0,0|2,0,0]=4 15162 B14R1.9 Cc1c(ccnc1SCCCCO)N 62a_100000210776_100000690622 [0,2,0,0,0,0|2,0,0]=4 15163 B14R1.9 Cc1c(ccnc1SCCCCO)N 62a_100000690622_100000210776 [0,2,0,0,0,0|2,0,0]=4 15164 B14R1.9 Cc1c(cncc1CNCCCO)Br 207a_100000182051_100010214934 [0,2,0,0,0,0|2,0,0]=4 15165 B14R1.9 Cc1c(cncc1CNCCCO)Br 270004a_100000182051_100010214934 [0,2,0,0,0,0|2,0,0]=4 15166 B14R1.9 Cc1c(cncc1SCCCCO)Br 62a_100000210776_100010109657 [0,2,0,0,0,0|2,0,0]=4 15167 B14R1.9 Cc1c(cncc1SCCCCO)Br 62a_100010109657_100000210776 [0,2,0,0,0,0|2,0,0]=4 15168 B14R1.9 Cc1c(cncc1SCCCCO)F 62a_100000210776_100009881546 [0,2,0,0,0,0|2,0,0]=4 15169 B14R1.9 Cc1c(cncc1SCCCCO)F 62a_100009881546_100000210776 [0,2,0,0,0,0|2,0,0]=4 15170 B14R1.9 Cc1c(cncc1SCCCCO)N 62a_100000210776_100011998293 [0,2,0,0,0,0|2,0,0]=4 15171 B14R1.9 Cc1c(cncc1SCCCCO)N 62a_100011998293_100000210776 [0,2,0,0,0,0|2,0,0]=4 15172 B14R1.9 Cc1cccc(c1Br)CNCCCF 207a_100015189416_100012186367 [0,2,0,0,0,0|2,0,0]=4 15173 B14R1.9 Cc1cccc(c1Br)CNCCCF 2230a_100015189416_200012349612 [0,2,0,0,0,0|2,0,0]=4 15174 B14R1.9 Cc1cccc(c1Br)CNCCCF 270004a_100015189416_100012186367 [0,2,0,0,0,0|2,0,0]=4 15175 B14R1.9 Cc1cccc(c1Br)CNCCCF 34a_100015189416_200012349612 [0,2,0,0,0,0|2,0,0]=4 15176 B14R1.9 Cc1cccc(c1Br)CNCCCO 207a_100000182051_100012186367 [0,2,0,0,0,0|1,0,0]=3 15177 B14R1.9 Cc1cccc(c1Br)CNCCCO 270004a_100000182051_100012186367 [0,2,0,0,0,0|1,0,0]=3 15178 B14R1.9 Cc1cccc(c1Br)COCCCBr 34a_100011217188_200012349612 [0,2,0,0,0,0|2,0,0]=4 15179 B14R1.9 Cc1cccc(c1Br)COCCCCl 34a_100000230001_200012349612 [0,2,0,0,0,0|2,0,0]=4 15180 B14R1.9 Cc1cccc(c1Br)COCCCF 34a_100000759539_200012349612 [0,2,0,0,0,0|2,0,0]=4 15181 B14R1.9 Cc1cccc(c1Br)COCCCF 34a_100011659289_100011934791 [0,2,0,0,0,0|2,0,0]=4 15182 B14R1.9 Cc1cccc(c1Br)COCCCF 7a_100011659289_100011934791 [0,2,0,0,0,0|2,0,0]=4 15183 B14R1.9 Cc1cccc(c1Br)COCCCN 34a_100000182051_200012349612 [0,2,0,0,0,0|2,0,0]=4 15184 B14R1.9 Cc1cccc(c1Br)COCCCO 34a_100011659289_100000230001 [0,2,0,0,0,0|1,0,0]=3 15185 B14R1.9 Cc1cccc(c1Br)COCCCO 7a_100011659289_100011215043 [0,2,0,0,0,0|1,0,0]=3 15186 B14R1.9 Cc1cccc(c1Br)CSCCCF 62a_100011934791_200012349612 [0,2,0,0,0,0|2,0,0]=4 15187 B14R1.9 Cc1cccc(c1Br)CSCCCF 62a_200012349612_100011934791 [0,2,0,0,0,0|2,0,0]=4 15188 B14R1.9 Cc1cccc(c1Br)CSCCCO 62a_100011215043_200012349612 [0,2,0,0,0,0|1,0,0]=3 15189 B14R1.9 Cc1cccc(c1Br)CSCCCO 62a_200012349612_100011215043 [0,2,0,0,0,0|1,0,0]=3 15190 B14R1.9 Cc1cccc(c1Br)NCCCCF 34a_100000684715_100000729493 [0,2,0,0,0,0|2,0,0]=4 15191 B14R1.9 Cc1cccc(c1Br)NCCCCO 34a_100000684715_100011216708 [0,2,0,0,0,0|1,0,0]=3 15192 B14R1.9 Cc1cccc(c1Br)OCCCCF 34a_100000686692_100000729493 [0,2,0,0,0,0|2,0,0]=4 15193 B14R1.9 Cc1cccc(c1Br)OCCCCF 7a_100000686692_100000729493 [0,2,0,0,0,0|2,0,0]=4 15194 B14R1.9 Cc1cccc(c1Br)OCCCCO 34a_100000686692_100011216708 [0,2,0,0,0,0|1,0,0]=3 15195 B14R1.9 Cc1cccc(c1Br)OCCCCO 7a_100000686692_100000210776 [0,2,0,0,0,0|1,0,0]=3 15196 B14R1.9 Cc1cccc(c1Br)SCCCCF 62a_100000729493_100012362457 [0,2,0,0,0,0|2,0,0]=4 15197 B14R1.9 Cc1cccc(c1Br)SCCCCF 62a_100012362457_100000729493 [0,2,0,0,0,0|2,0,0]=4 15198 B14R1.9 Cc1cccc(c1Br)SCCCCO 62a_100000210776_100012362457 [0,2,0,0,0,0|1,0,0]=3 15199 B14R1.9 Cc1cccc(c1Br)SCCCCO 62a_100012362457_100000210776 [0,2,0,0,0,0|1,0,0]=3 15200 B14R1.9 Cc1cccc(c1C)CNCCCF 207a_100015189416_100000229941 [0,2,0,0,0,0|2,0,0]=4 15201 B14R1.9 Cc1cccc(c1C)CNCCCF 2230a_100011211637_100011934791 [0,2,0,0,0,0|2,0,0]=4 15202 B14R1.9 Cc1cccc(c1C)CNCCCF 2230a_100015189416_100011515928 [0,2,0,0,0,0|2,0,0]=4 15203 B14R1.9 Cc1cccc(c1C)CNCCCF 270004a_100015189416_100000229941 [0,2,0,0,0,0|2,0,0]=4 15204 B14R1.9 Cc1cccc(c1C)CNCCCF 34a_100011211637_100011934791 [0,2,0,0,0,0|2,0,0]=4 15205 B14R1.9 Cc1cccc(c1C)CNCCCF 34a_100015189416_100011273979 [0,2,0,0,0,0|2,0,0]=4 15206 B14R1.9 Cc1cccc(c1C)CNCCCO 207a_100000182051_100000229941 [0,2,0,0,0,0|1,0,0]=3 15207 B14R1.9 Cc1cccc(c1C)CNCCCO 2230a_100011211637_100000230001 [0,2,0,0,0,0|1,0,0]=3 15208 B14R1.9 Cc1cccc(c1C)CNCCCO 270004a_100000182051_100000229941 [0,2,0,0,0,0|1,0,0]=3 15209 B14R1.9 Cc1cccc(c1C)CNCCCO 34a_100011211637_100000230001 [0,2,0,0,0,0|1,0,0]=3 15210 B14R1.9 Cc1cccc(c1C)COCCCBr 34a_100011217188_100011273979 [0,2,0,0,0,0|2,0,0]=4 15211 B14R1.9 Cc1cccc(c1C)COCCCCl 34a_100000230001_100011273979 [0,2,0,0,0,0|2,0,0]=4 15212 B14R1.9 Cc1cccc(c1C)COCCCF 34a_100000759539_100011273979 [0,2,0,0,0,0|2,0,0]=4 15213 B14R1.9 Cc1cccc(c1C)COCCCF 34a_100011219135_100011934791 [0,2,0,0,0,0|2,0,0]=4 15214 B14R1.9 Cc1cccc(c1C)COCCCF 7a_100011219135_100011934791 [0,2,0,0,0,0|2,0,0]=4 15215 B14R1.9 Cc1cccc(c1C)COCCCN 34a_100000182051_100011273979 [0,2,0,0,0,0|2,0,0]=4 15216 B14R1.9 Cc1cccc(c1C)COCCCO 34a_100011219135_100000230001 [0,2,0,0,0,0|1,0,0]=3 15217 B14R1.9 Cc1cccc(c1C)COCCCO 7a_100011219135_100011215043 [0,2,0,0,0,0|1,0,0]=3 15218 B14R1.9 Cc1cccc(c1C)CSCCCF 62a_100011515928_100011934791 [0,2,0,0,0,0|2,0,0]=4 15219 B14R1.9 Cc1cccc(c1C)CSCCCF 62a_100011934791_100011515928 [0,2,0,0,0,0|2,0,0]=4 15220 B14R1.9 Cc1cccc(c1C)CSCCCO 62a_100011215043_100011515928 [0,2,0,0,0,0|1,0,0]=3 15221 B14R1.9 Cc1cccc(c1C)CSCCCO 62a_100011515928_100011215043 [0,2,0,0,0,0|1,0,0]=3 15222 B14R1.9 Cc1cccc(c1C)NCCCCF 2230a_100000210026_100000729493 [0,2,0,0,0,0|2,0,0]=4 15223 B14R1.9 Cc1cccc(c1C)NCCCCF 34a_100000210026_100000729493 [0,2,0,0,0,0|2,0,0]=4 15224 B14R1.9 Cc1cccc(c1C)NCCCCF 7a_100000210026_100000729493 [0,2,0,0,0,0|2,0,0]=4 15225 B14R1.9 Cc1cccc(c1C)NCCCCO 2230a_100000210026_100000210776 [0,2,0,0,0,0|1,0,0]=3 15226 B14R1.9 Cc1cccc(c1C)NCCCCO 34a_100000210026_100011216708 [0,2,0,0,0,0|1,0,0]=3 15227 B14R1.9 Cc1cccc(c1C)NCCCCO 7a_100000210026_100000210776 [0,2,0,0,0,0|1,0,0]=3 15228 B14R1.9 Cc1cccc(c1C)OCCCCF 34a_100000185855_100000729493 [0,2,0,0,0,0|2,0,0]=4 15229 B14R1.9 Cc1cccc(c1C)OCCCCF 7a_100000185855_100000729493 [0,2,0,0,0,0|2,0,0]=4 15230 B14R1.9 Cc1cccc(c1C)OCCCCO 34a_100000185855_100011216708 [0,2,0,0,0,0|1,0,0]=3 15231 B14R1.9 Cc1cccc(c1C)OCCCCO 7a_100000185855_100000210776 [0,2,0,0,0,0|1,0,0]=3 15232 B14R1.9 Cc1cccc(c1C)SCCCCF 62a_100000729493_100011214922 [0,2,0,0,0,0|2,0,0]=4 15233 B14R1.9 Cc1cccc(c1C)SCCCCF 62a_100011214922_100000729493 [0,2,0,0,0,0|2,0,0]=4 15234 B14R1.9 Cc1cccc(c1C)SCCCCO 62a_100000210776_100011214922 [0,2,0,0,0,0|1,0,0]=3 15235 B14R1.9 Cc1cccc(c1C)SCCCCO 62a_100011214922_100000210776 [0,2,0,0,0,0|1,0,0]=3 15236 B14R1.9 Cc1cccc(c1Cl)CNCCCF 207a_100015189416_100012017286 [0,2,0,0,0,0|2,0,0]=4 15237 B14R1.9 Cc1cccc(c1Cl)CNCCCF 2230a_100025705714_100011934791 [0,2,0,0,0,0|2,0,0]=4 15238 B14R1.9 Cc1cccc(c1Cl)CNCCCF 270004a_100015189416_100012017286 [0,2,0,0,0,0|2,0,0]=4 15239 B14R1.9 Cc1cccc(c1Cl)CNCCCF 34a_100025705714_100011934791 [0,2,0,0,0,0|2,0,0]=4 15240 B14R1.9 Cc1cccc(c1Cl)CNCCCO 207a_100000182051_100012017286 [0,2,0,0,0,0|1,0,0]=3 15241 B14R1.9 Cc1cccc(c1Cl)CNCCCO 2230a_100025705714_100000230001 [0,2,0,0,0,0|1,0,0]=3 15242 B14R1.9 Cc1cccc(c1Cl)CNCCCO 270004a_100000182051_100012017286 [0,2,0,0,0,0|1,0,0]=3 15243 B14R1.9 Cc1cccc(c1Cl)CNCCCO 34a_100025705714_100000230001 [0,2,0,0,0,0|1,0,0]=3 15244 B14R1.9 Cc1cccc(c1Cl)COCCCF 34a_100000710031_100011934791 [0,2,0,0,0,0|2,0,0]=4 15245 B14R1.9 Cc1cccc(c1Cl)COCCCF 7a_100000710031_100011934791 [0,2,0,0,0,0|2,0,0]=4 15246 B14R1.9 Cc1cccc(c1Cl)COCCCO 34a_100000710031_100000230001 [0,2,0,0,0,0|1,0,0]=3 15247 B14R1.9 Cc1cccc(c1Cl)COCCCO 7a_100000710031_100011215043 [0,2,0,0,0,0|1,0,0]=3 15248 B14R1.9 Cc1cccc(c1Cl)NCCCCF 34a_100000765562_100000729493 [0,2,0,0,0,0|2,0,0]=4 15249 B14R1.9 Cc1cccc(c1Cl)NCCCCF 7a_100000765562_100000729493 [0,2,0,0,0,0|2,0,0]=4 15250 B14R1.9 Cc1cccc(c1Cl)NCCCCO 34a_100000765562_100011216708 [0,2,0,0,0,0|1,0,0]=3 15251 B14R1.9 Cc1cccc(c1Cl)NCCCCO 7a_100000765562_100000210776 [0,2,0,0,0,0|1,0,0]=3 15252 B14R1.9 Cc1cccc(c1Cl)OCCCCF 34a_100000695629_100000729493 [0,2,0,0,0,0|2,0,0]=4 15253 B14R1.9 Cc1cccc(c1Cl)OCCCCF 7a_100000695629_100000729493 [0,2,0,0,0,0|2,0,0]=4 15254 B14R1.9 Cc1cccc(c1Cl)OCCCCO 34a_100000695629_100011216708 [0,2,0,0,0,0|1,0,0]=3 15255 B14R1.9 Cc1cccc(c1Cl)OCCCCO 7a_100000695629_100000210776 [0,2,0,0,0,0|1,0,0]=3 15256 B14R1.9 Cc1cccc(c1Cl)SCCCCF 62a_100000729493_200012352035 [0,2,0,0,0,0|2,0,0]=4 15257 B14R1.9 Cc1cccc(c1Cl)SCCCCF 62a_200012352035_100000729493 [0,2,0,0,0,0|2,0,0]=4 15258 B14R1.9 Cc1cccc(c1Cl)SCCCCO 62a_100000210776_200012352035 [0,2,0,0,0,0|1,0,0]=3 15259 B14R1.9 Cc1cccc(c1Cl)SCCCCO 62a_200012352035_100000210776 [0,2,0,0,0,0|1,0,0]=3 15260 B14R1.9 Cc1cccc(c1F)CNCCCF 207a_100015189416_100011219516 [0,2,0,0,0,0|2,0,0]=4 15261 B14R1.9 Cc1cccc(c1F)CNCCCF 2230a_100012002060_100011934791 [0,2,0,0,0,0|2,0,0]=4 15262 B14R1.9 Cc1cccc(c1F)CNCCCF 2230a_100015189416_100011216058 [0,2,0,0,0,0|2,0,0]=4 15263 B14R1.9 Cc1cccc(c1F)CNCCCF 270004a_100015189416_100011219516 [0,2,0,0,0,0|2,0,0]=4 15264 B14R1.9 Cc1cccc(c1F)CNCCCF 34a_100012002060_100011934791 [0,2,0,0,0,0|2,0,0]=4 15265 B14R1.9 Cc1cccc(c1F)CNCCCF 34a_100015189416_100011216058 [0,2,0,0,0,0|2,0,0]=4 15266 B14R1.9 Cc1cccc(c1F)CNCCCO 207a_100000182051_100011219516 [0,2,0,0,0,0|1,0,0]=3 15267 B14R1.9 Cc1cccc(c1F)CNCCCO 2230a_100012002060_100000230001 [0,2,0,0,0,0|1,0,0]=3 15268 B14R1.9 Cc1cccc(c1F)CNCCCO 270004a_100000182051_100011219516 [0,2,0,0,0,0|1,0,0]=3 15269 B14R1.9 Cc1cccc(c1F)CNCCCO 34a_100012002060_100000230001 [0,2,0,0,0,0|1,0,0]=3 15270 B14R1.9 Cc1cccc(c1F)COCCCBr 34a_100011217188_100011216058 [0,2,0,0,0,0|2,0,0]=4 15271 B14R1.9 Cc1cccc(c1F)COCCCCl 34a_100000230001_100011216058 [0,2,0,0,0,0|2,0,0]=4 15272 B14R1.9 Cc1cccc(c1F)COCCCF 34a_100000759539_100011216058 [0,2,0,0,0,0|2,0,0]=4 15273 B14R1.9 Cc1cccc(c1F)COCCCF 34a_200011219517_100011934791 [0,2,0,0,0,0|2,0,0]=4 15274 B14R1.9 Cc1cccc(c1F)COCCCF 7a_200011219517_100011934791 [0,2,0,0,0,0|2,0,0]=4 15275 B14R1.9 Cc1cccc(c1F)COCCCN 34a_100000182051_100011216058 [0,2,0,0,0,0|2,0,0]=4 15276 B14R1.9 Cc1cccc(c1F)COCCCO 34a_200011219517_100000230001 [0,2,0,0,0,0|1,0,0]=3 15277 B14R1.9 Cc1cccc(c1F)COCCCO 7a_200011219517_100011215043 [0,2,0,0,0,0|1,0,0]=3 15278 B14R1.9 Cc1cccc(c1F)CSCCCF 62a_100011216058_100011934791 [0,2,0,0,0,0|2,0,0]=4 15279 B14R1.9 Cc1cccc(c1F)CSCCCF 62a_100011934791_100011216058 [0,2,0,0,0,0|2,0,0]=4 15280 B14R1.9 Cc1cccc(c1F)CSCCCO 62a_100011215043_100011216058 [0,2,0,0,0,0|1,0,0]=3 15281 B14R1.9 Cc1cccc(c1F)CSCCCO 62a_100011216058_100011215043 [0,2,0,0,0,0|1,0,0]=3 15282 B14R1.9 Cc1cccc(c1F)NCCCCF 2230a_100000697159_100000729493 [0,2,0,0,0,0|2,0,0]=4 15283 B14R1.9 Cc1cccc(c1F)NCCCCF 34a_100000697159_100000729493 [0,2,0,0,0,0|2,0,0]=4 15284 B14R1.9 Cc1cccc(c1F)NCCCCF 7a_100000697159_100000729493 [0,2,0,0,0,0|2,0,0]=4 15285 B14R1.9 Cc1cccc(c1F)NCCCCO 2230a_100000697159_100000210776 [0,2,0,0,0,0|1,0,0]=3 15286 B14R1.9 Cc1cccc(c1F)NCCCCO 34a_100000697159_100011216708 [0,2,0,0,0,0|1,0,0]=3 15287 B14R1.9 Cc1cccc(c1F)NCCCCO 7a_100000697159_100000210776 [0,2,0,0,0,0|1,0,0]=3 15288 B14R1.9 Cc1cccc(c1F)OCCCCF 34a_100000751311_100000729493 [0,2,0,0,0,0|2,0,0]=4 15289 B14R1.9 Cc1cccc(c1F)OCCCCF 7a_100000751311_100000729493 [0,2,0,0,0,0|2,0,0]=4 15290 B14R1.9 Cc1cccc(c1F)OCCCCO 34a_100000751311_100011216708 [0,2,0,0,0,0|1,0,0]=3 15291 B14R1.9 Cc1cccc(c1F)OCCCCO 7a_100000751311_100000210776 [0,2,0,0,0,0|1,0,0]=3 15292 B14R1.9 Cc1cccc(c1F)SCCCCF 62a_100000717567_100000729493 [0,2,0,0,0,0|2,0,0]=4 15293 B14R1.9 Cc1cccc(c1F)SCCCCF 62a_100000729493_100000717567 [0,2,0,0,0,0|2,0,0]=4 15294 B14R1.9 Cc1cccc(c1F)SCCCCO 62a_100000210776_100000717567 [0,2,0,0,0,0|1,0,0]=3 15295 B14R1.9 Cc1cccc(c1F)SCCCCO 62a_100000717567_100000210776 [0,2,0,0,0,0|1,0,0]=3 15296 B14R1.9 Cc1cccc(c1I)COCCCF 34a_100012349780_100011934791 [0,2,0,0,0,0|2,0,0]=4 15297 B14R1.9 Cc1cccc(c1I)COCCCF 7a_100012349780_100011934791 [0,2,0,0,0,0|2,0,0]=4 15298 B14R1.9 Cc1cccc(c1I)COCCCO 34a_100012349780_100000230001 [0,2,0,0,0,0|1,0,0]=3 15299 B14R1.9 Cc1cccc(c1I)COCCCO 7a_100012349780_100011215043 [0,2,0,0,0,0|1,0,0]=3 15300 B14R1.9 Cc1cccc(c1I)NCCCCF 34a_100000761888_100000729493 [0,2,0,0,0,0|2,0,0]=4 15301 B14R1.9 Cc1cccc(c1I)NCCCCO 34a_100000761888_100011216708 [0,2,0,0,0,0|1,0,0]=3 15302 B14R1.9 Cc1cccc(c1I)OCCCCF 34a_100010083724_100000729493 [0,2,0,0,0,0|2,0,0]=4 15303 B14R1.9 Cc1cccc(c1I)OCCCCF 7a_100010083724_100000729493 [0,2,0,0,0,0|2,0,0]=4 15304 B14R1.9 Cc1cccc(c1I)OCCCCO 34a_100010083724_100011216708 [0,2,0,0,0,0|1,0,0]=3 15305 B14R1.9 Cc1cccc(c1I)OCCCCO 7a_100010083724_100000210776 [0,2,0,0,0,0|1,0,0]=3 15306 B14R1.9 Cc1cccc(c1N)COCCCF 34a_100011215590_100011934791 [0,2,0,0,0,0|2,0,0]=4 15307 B14R1.9 Cc1cccc(c1N)COCCCO 34a_100011215590_100000230001 [0,2,0,0,0,0|1,0,0]=3 15308 B14R1.9 Cc1cccc(c1N)OCCCCF 34a_100000743429_100000729493 [0,2,0,0,0,0|2,0,0]=4 15309 B14R1.9 Cc1cccc(c1N)OCCCCF 7a_100000743429_100000729493 [0,2,0,0,0,0|2,0,0]=4 15310 B14R1.9 Cc1cccc(c1N)OCCCCO 34a_100000743429_100011216708 [0,2,0,0,0,0|1,0,0]=3 15311 B14R1.9 Cc1cccc(c1N)OCCCCO 7a_100000743429_100000210776 [0,2,0,0,0,0|1,0,0]=3 15312 B14R1.9 Cc1cccc(c1N)SCCCCF 62a_100000729493_100011834072 [0,2,0,0,0,0|2,0,0]=4 15313 B14R1.9 Cc1cccc(c1N)SCCCCF 62a_100011834072_100000729493 [0,2,0,0,0,0|2,0,0]=4 15314 B14R1.9 Cc1cccc(c1N)SCCCCO 62a_100000210776_100011834072 [0,2,0,0,0,0|1,0,0]=3 15315 B14R1.9 Cc1cccc(c1N)SCCCCO 62a_100011834072_100000210776 [0,2,0,0,0,0|1,0,0]=3 15316 B14R1.9 Cc1cccc(c1O)CNCCCF 34a_100020639391_100011934791 [0,2,0,0,0,0|2,0,0]=4 15317 B14R1.9 Cc1cccc(c1O)CNCCCO 34a_100020639391_100000230001 [0,2,0,0,0,0|1,0,0]=3 15318 B14R1.9 Cc1cccc(c1O)NCCCCF 34a_100000756359_100000729493 [0,2,0,0,0,0|2,0,0]=4 15319 B14R1.9 Cc1cccc(c1O)NCCCCO 34a_100000756359_100011216708 [0,2,0,0,0,0|1,0,0]=3 15320 B14R1.9 Cc1cccc(c1O)SCCCCF 62a_100000729493_100009817157 [0,2,0,0,0,0|2,0,0]=4 15321 B14R1.9 Cc1cccc(c1O)SCCCCF 62a_100009817157_100000729493 [0,2,0,0,0,0|2,0,0]=4 15322 B14R1.9 Cc1cccc(c1O)SCCCCO 62a_100000210776_100009817157 [0,2,0,0,0,0|1,0,0]=3 15323 B14R1.9 Cc1cccc(c1O)SCCCCO 62a_100009817157_100000210776 [0,2,0,0,0,0|1,0,0]=3 15324 B14R1.9 Cc1ccnc(c1Br)OCCCCO 34a_100012000493_100011216708 [0,2,0,0,0,0|2,0,0]=4 15325 B14R1.9 Cc1ccnc(c1C)SCCCCO 62a_100000210776_100009847204 [0,2,0,0,0,0|2,0,0]=4 15326 B14R1.9 Cc1ccnc(c1C)SCCCCO 62a_100009847204_100000210776 [0,2,0,0,0,0|2,0,0]=4 15327 B14R1.9 Cc1ccnc(c1F)SCCCCO 62a_100000210776_100009817629 [0,2,0,0,0,0|2,0,0]=4 15328 B14R1.9 Cc1ccnc(c1F)SCCCCO 62a_100009817629_100000210776 [0,2,0,0,0,0|2,0,0]=4 15329 B14R1.9 Cc1ccnc(c1N)SCCCCO 62a_100000210776_100000763560 [0,2,0,0,0,0|2,0,0]=4 15330 B14R1.9 Cc1ccnc(c1N)SCCCCO 62a_100000763560_100000210776 [0,2,0,0,0,0|2,0,0]=4 15331 B14R1.9 Cc1ccnc(c1O)SCCCCO 62a_100000210776_100000696282 [0,2,0,0,0,0|2,0,0]=4 15332 B14R1.9 Cc1cncc(c1C)SCCCCO 62a_100000210776_100009864703 [0,2,0,0,0,0|2,0,0]=4 15333 B14R1.9 Cc1cncc(c1C)SCCCCO 62a_100009864703_100000210776 [0,2,0,0,0,0|2,0,0]=4 15334 B14R1.9 Cc1cncc(c1N)SCCCCO 62a_100000210776_100009818025 [0,2,0,0,0,0|2,0,0]=4 15335 B14R1.9 Cc1cncc(c1N)SCCCCO 62a_100009818025_100000210776 [0,2,0,0,0,0|2,0,0]=4 15336 B14R1.9 Cc1nccc(c1C)SCCCCO 62a_100000210776_100009846815 [0,2,0,0,0,0|2,0,0]=4 15337 B14R1.9 Cc1nccc(c1C)SCCCCO 62a_100009846815_100000210776 [0,2,0,0,0,0|2,0,0]=4 15338 B14R1.9 Cc1nccc(c1Cl)NCCCCO 27a_100000750430_100000698670 [0,2,0,0,0,0|2,0,0]=4 15339 B14R1.9 Cc1nccc(c1Cl)SCCCCO 62a_100000210776_100000698670 [0,2,0,0,0,0|2,0,0]=4 15340 B14R1.9 Cc1nccc(c1Cl)SCCCCO 62a_100000698670_100000210776 [0,2,0,0,0,0|2,0,0]=4 15341 B14R1.9 Cc1nccc(c1F)NCCCCO 27a_100000750430_100009849794 [0,2,0,0,0,0|2,0,0]=4 15342 B14R1.9 Cc1nccc(c1F)SCCCCO 62a_100000210776_100009849794 [0,2,0,0,0,0|2,0,0]=4 15343 B14R1.9 Cc1nccc(c1F)SCCCCO 62a_100009849794_100000210776 [0,2,0,0,0,0|2,0,0]=4 15344 B14R1.9 Cc1nccc(c1N)SCCCCO 62a_100000210776_100009885578 [0,2,0,0,0,0|2,0,0]=4 15345 B14R1.9 Cc1nccc(c1N)SCCCCO 62a_100009885578_100000210776 [0,2,0,0,0,0|2,0,0]=4 15346 B14R1.9 ClCCCOCc1cccc(c1Br)Cl 34a_100000230001_100010145525 [0,2,0,0,0,0|2,0,0]=4 15347 B14R1.9 ClCCCOCc1cccc(c1Br)I 34a_100000230001_100010254545 [0,2,0,0,0,0|2,0,0]=4 15348 B14R1.9 ClCCCOCc1cccc(c1Cl)Br 34a_100000230001_100012349491 [0,2,0,0,0,0|2,0,0]=4 15349 B14R1.9 ClCCCOCc1cccc(c1Cl)Cl 34a_100000230001_100000723366 [0,2,0,0,0,0|2,0,0]=4 15350 B14R1.9 Clc1c(cccc1COCCCBr)Br 34a_100011217188_100012349491 [0,2,0,0,0,0|2,0,0]=4 15351 B14R1.9 Clc1cccc(c1Br)COCCCBr 34a_100011217188_100010145525 [0,2,0,0,0,0|2,0,0]=4 15352 B14R1.9 Clc1cccc(c1Cl)CCOCCBr 34a_100000211926_100000723033 [0,2,0,0,0,0|2,0,0]=4 15353 B14R1.9 Clc1cccc(c1Cl)COCCCBr 34a_100011217188_100000723366 [0,2,0,0,0,0|2,0,0]=4 15354 B14R1.9 Cn1c(cccc1=O)SCCCCO 62a_100000210776_100000726605 [0,2,0,0,0,0|2,0,0]=4 15355 B14R1.9 Cn1c(cccc1=O)SCCCCO 62a_100000726605_100000210776 [0,2,0,0,0,0|2,0,0]=4 15356 B14R1.9 Cn1cccc(c1=O)CNCCCO 207a_100000182051_100010354164 [0,2,0,0,0,0|2,0,0]=4 15357 B14R1.9 Cn1cccc(c1=O)CNCCCO 270004a_100000182051_100010354164 [0,2,0,0,0,0|2,0,0]=4 15358 B14R1.9 Cn1cccc(c1=O)OCCCCO 34a_100000117616_100011216708 [0,2,0,0,0,0|2,0,0]=4 15359 B14R1.9 Cn1cccc(c1=O)OCCCCO 7a_100000117616_100000210776 [0,2,0,0,0,0|2,0,0]=4 15360 B14R1.9 Cn1cccc(c1=O)SCCCCO 62a_100000210776_100000687173 [0,2,0,0,0,0|2,0,0]=4 15361 B14R1.9 Cn1cccc(c1=O)SCCCCO 62a_100000687173_100000210776 [0,2,0,0,0,0|2,0,0]=4 15362 B14R1.9 FCCCCNc1cccc(c1Br)Cl 34a_100000687072_100000729493 [0,2,0,0,0,0|2,0,0]=4 15363 B14R1.9 FCCCCNc1cccc(c1Br)F 34a_100011934729_100000729493 [0,2,0,0,0,0|2,0,0]=4 15364 B14R1.9 FCCCCNc1cccc(c1Cl)Br 34a_100000687075_100000729493 [0,2,0,0,0,0|2,0,0]=4 15365 B14R1.9 FCCCCNc1cccc(c1Cl)Cl 34a_100000185733_100000729493 [0,2,0,0,0,0|2,0,0]=4 15366 B14R1.9 FCCCCNc1cccc(c1Cl)F 34a_100000692321_100000729493 [0,2,0,0,0,0|2,0,0]=4 15367 B14R1.9 FCCCCNc1cccc(c1F)Br 2230a_100011935091_100000729493 [0,2,0,0,0,0|2,0,0]=4 15368 B14R1.9 FCCCCNc1cccc(c1F)Br 34a_100011935091_100000729493 [0,2,0,0,0,0|2,0,0]=4 15369 B14R1.9 FCCCCNc1cccc(c1F)Cl 2230a_100000199060_100000729493 [0,2,0,0,0,0|2,0,0]=4 15370 B14R1.9 FCCCCNc1cccc(c1F)Cl 34a_100000199060_100000729493 [0,2,0,0,0,0|2,0,0]=4 15371 B14R1.9 FCCCCNc1cccc(c1F)F 34a_100000743855_100000729493 [0,2,0,0,0,0|2,0,0]=4 15372 B14R1.9 FCCCCNc1cccc(c1I)Br 34a_100020590159_100000729493 [0,2,0,0,0,0|2,0,0]=4 15373 B14R1.9 FCCCCNc1cccc(c1I)Cl 34a_100000049713_100000729493 [0,2,0,0,0,0|2,0,0]=4 15374 B14R1.9 FCCCCNc1cccc(c1I)F 34a_100000690935_100000729493 [0,2,0,0,0,0|2,0,0]=4 15375 B14R1.9 FCCCCOc1cccc(c1Br)Br 34a_100010187966_100000729493 [0,2,0,0,0,0|2,0,0]=4 15376 B14R1.9 FCCCCOc1cccc(c1Br)Br 7a_100010187966_100000729493 [0,2,0,0,0,0|2,0,0]=4 15377 B14R1.9 FCCCCOc1cccc(c1Br)Cl 34a_100012348804_100000729493 [0,2,0,0,0,0|2,0,0]=4 15378 B14R1.9 FCCCCOc1cccc(c1Br)Cl 7a_100012348804_100000729493 [0,2,0,0,0,0|2,0,0]=4 15379 B14R1.9 FCCCCOc1cccc(c1Br)F 34a_100009820682_100000729493 [0,2,0,0,0,0|2,0,0]=4 15380 B14R1.9 FCCCCOc1cccc(c1Br)F 7a_100009820682_100000729493 [0,2,0,0,0,0|2,0,0]=4 15381 B14R1.9 FCCCCOc1cccc(c1Br)I 34a_100010187914_100000729493 [0,2,0,0,0,0|2,0,0]=4 15382 B14R1.9 FCCCCOc1cccc(c1Br)I 7a_100010187914_100000729493 [0,2,0,0,0,0|2,0,0]=4 15383 B14R1.9 FCCCCOc1cccc(c1Cl)Br 34a_100010187913_100000729493 [0,2,0,0,0,0|2,0,0]=4 15384 B14R1.9 FCCCCOc1cccc(c1Cl)Br 7a_100010187913_100000729493 [0,2,0,0,0,0|2,0,0]=4 15385 B14R1.9 FCCCCOc1cccc(c1Cl)Cl 34a_100000211076_100000729493 [0,2,0,0,0,0|2,0,0]=4 15386 B14R1.9 FCCCCOc1cccc(c1Cl)Cl 7a_100000211076_100000729493 [0,2,0,0,0,0|2,0,0]=4 15387 B14R1.9 FCCCCOc1cccc(c1Cl)F 34a_100000087408_100000729493 [0,2,0,0,0,0|2,0,0]=4 15388 B14R1.9 FCCCCOc1cccc(c1Cl)F 7a_100000087408_100000729493 [0,2,0,0,0,0|2,0,0]=4 15389 B14R1.9 FCCCCOc1cccc(c1Cl)I 34a_100000049636_100000729493 [0,2,0,0,0,0|2,0,0]=4 15390 B14R1.9 FCCCCOc1cccc(c1Cl)I 7a_100000049636_100000729493 [0,2,0,0,0,0|2,0,0]=4 15391 B14R1.9 FCCCCOc1cccc(c1F)Br 34a_100009817021_100000729493 [0,2,0,0,0,0|2,0,0]=4 15392 B14R1.9 FCCCCOc1cccc(c1F)Br 7a_100009817021_100000729493 [0,2,0,0,0,0|2,0,0]=4 15393 B14R1.9 FCCCCOc1cccc(c1F)Cl 34a_100000687438_100000729493 [0,2,0,0,0,0|2,0,0]=4 15394 B14R1.9 FCCCCOc1cccc(c1F)Cl 7a_100000687438_100000729493 [0,2,0,0,0,0|2,0,0]=4 15395 B14R1.9 FCCCCOc1cccc(c1F)F 34a_100000751161_100000729493 [0,2,0,0,0,0|2,0,0]=4 15396 B14R1.9 FCCCCOc1cccc(c1F)F 7a_100000751161_100000729493 [0,2,0,0,0,0|2,0,0]=4 15397 B14R1.9 FCCCCOc1cccc(c1I)Br 34a_100010187912_100000729493 [0,2,0,0,0,0|2,0,0]=4 15398 B14R1.9 FCCCCOc1cccc(c1I)Br 7a_100010187912_100000729493 [0,2,0,0,0,0|2,0,0]=4 15399 B14R1.9 FCCCCOc1cccc(c1I)Cl 34a_100000050174_100000729493 [0,2,0,0,0,0|2,0,0]=4 15400 B14R1.9 FCCCCOc1cccc(c1I)Cl 7a_100000050174_100000729493 [0,2,0,0,0,0|2,0,0]=4 15401 B14R1.9 FCCCCOc1cccc(c1I)F 34a_100000690913_100000729493 [0,2,0,0,0,0|2,0,0]=4 15402 B14R1.9 FCCCCOc1cccc(c1I)F 7a_100000690913_100000729493 [0,2,0,0,0,0|2,0,0]=4 15403 B14R1.9 FCCCCSc1cccc(c1Br)Br 62a_100000729493_100010175083 [0,2,0,0,0,0|2,0,0]=4 15404 B14R1.9 FCCCCSc1cccc(c1Br)Br 62a_100010175083_100000729493 [0,2,0,0,0,0|2,0,0]=4 15405 B14R1.9 FCCCCSc1cccc(c1Br)Cl 62a_100000729493_100014021842 [0,2,0,0,0,0|2,0,0]=4 15406 B14R1.9 FCCCCSc1cccc(c1Br)Cl 62a_100014021842_100000729493 [0,2,0,0,0,0|2,0,0]=4 15407 B14R1.9 FCCCCSc1cccc(c1Br)F 62a_100000729493_100010202630 [0,2,0,0,0,0|2,0,0]=4 15408 B14R1.9 FCCCCSc1cccc(c1Br)F 62a_100010202630_100000729493 [0,2,0,0,0,0|2,0,0]=4 15409 B14R1.9 FCCCCSc1cccc(c1Cl)Br 62a_100000729493_100010142854 [0,2,0,0,0,0|2,0,0]=4 15410 B14R1.9 FCCCCSc1cccc(c1Cl)Br 62a_100010142854_100000729493 [0,2,0,0,0,0|2,0,0]=4 15411 B14R1.9 FCCCCSc1cccc(c1Cl)Cl 62a_100000729493_100011215384 [0,2,0,0,0,0|2,0,0]=4 15412 B14R1.9 FCCCCSc1cccc(c1Cl)Cl 62a_100011215384_100000729493 [0,2,0,0,0,0|2,0,0]=4 15413 B14R1.9 FCCCCSc1cccc(c1Cl)F 62a_100000729493_200010234923 [0,2,0,0,0,0|2,0,0]=4 15414 B14R1.9 FCCCCSc1cccc(c1Cl)F 62a_200010234923_100000729493 [0,2,0,0,0,0|2,0,0]=4 15415 B14R1.9 FCCCCSc1cccc(c1F)Br 62a_100000702267_100000729493 [0,2,0,0,0,0|2,0,0]=4 15416 B14R1.9 FCCCCSc1cccc(c1F)Br 62a_100000729493_100000702267 [0,2,0,0,0,0|2,0,0]=4 15417 B14R1.9 FCCCCSc1cccc(c1F)Cl 62a_100000729493_100011217346 [0,2,0,0,0,0|2,0,0]=4 15418 B14R1.9 FCCCCSc1cccc(c1F)Cl 62a_100011217346_100000729493 [0,2,0,0,0,0|2,0,0]=4 15419 B14R1.9 FCCCCSc1cccc(c1F)F 62a_100000694657_100000729493 [0,2,0,0,0,0|2,0,0]=4 15420 B14R1.9 FCCCCSc1cccc(c1F)F 62a_100000729493_100000694657 [0,2,0,0,0,0|2,0,0]=4 15421 B14R1.9 FCCCNCc1cccc(c1Br)Br 207a_100015189416_100010240334 [0,2,0,0,0,0|2,0,0]=4 15422 B14R1.9 FCCCNCc1cccc(c1Br)Br 270004a_100015189416_100010240334 [0,2,0,0,0,0|2,0,0]=4 15423 B14R1.9 FCCCNCc1cccc(c1Br)Cl 207a_100015189416_100010232083 [0,2,0,0,0,0|2,0,0]=4 15424 B14R1.9 FCCCNCc1cccc(c1Br)Cl 2230a_100015189416_100010145525 [0,2,0,0,0,0|2,0,0]=4 15425 B14R1.9 FCCCNCc1cccc(c1Br)Cl 270004a_100015189416_100010232083 [0,2,0,0,0,0|2,0,0]=4 15426 B14R1.9 FCCCNCc1cccc(c1Br)Cl 34a_100015189416_100010145525 [0,2,0,0,0,0|2,0,0]=4 15427 B14R1.9 FCCCNCc1cccc(c1Br)F 207a_100015189416_100011934749 [0,2,0,0,0,0|2,0,0]=4 15428 B14R1.9 FCCCNCc1cccc(c1Br)F 2230a_100015189416_100012351116 [0,2,0,0,0,0|2,0,0]=4 15429 B14R1.9 FCCCNCc1cccc(c1Br)F 2230a_100020638964_100011934791 [0,2,0,0,0,0|2,0,0]=4 15430 B14R1.9 FCCCNCc1cccc(c1Br)F 270004a_100015189416_100011934749 [0,2,0,0,0,0|2,0,0]=4 15431 B14R1.9 FCCCNCc1cccc(c1Br)F 34a_100015189416_100012351116 [0,2,0,0,0,0|2,0,0]=4 15432 B14R1.9 FCCCNCc1cccc(c1Br)F 34a_100020638964_100011934791 [0,2,0,0,0,0|2,0,0]=4 15433 B14R1.9 FCCCNCc1cccc(c1Br)I 2230a_100015189416_100010254545 [0,2,0,0,0,0|2,0,0]=4 15434 B14R1.9 FCCCNCc1cccc(c1Br)I 34a_100015189416_100010254545 [0,2,0,0,0,0|2,0,0]=4 15435 B14R1.9 FCCCNCc1cccc(c1Cl)Br 207a_100015189416_100012362481 [0,2,0,0,0,0|2,0,0]=4 15436 B14R1.9 FCCCNCc1cccc(c1Cl)Br 2230a_100015189416_100012349491 [0,2,0,0,0,0|2,0,0]=4 15437 B14R1.9 FCCCNCc1cccc(c1Cl)Br 270004a_100015189416_100012362481 [0,2,0,0,0,0|2,0,0]=4 15438 B14R1.9 FCCCNCc1cccc(c1Cl)Br 34a_100015189416_100012349491 [0,2,0,0,0,0|2,0,0]=4 15439 B14R1.9 FCCCNCc1cccc(c1Cl)Cl 207a_100015189416_100000210504 [0,2,0,0,0,0|2,0,0]=4 15440 B14R1.9 FCCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100011934791 [0,2,0,0,0,0|2,0,0]=4 15441 B14R1.9 FCCCNCc1cccc(c1Cl)Cl 2230a_100015189416_100000723366 [0,2,0,0,0,0|2,0,0]=4 15442 B14R1.9 FCCCNCc1cccc(c1Cl)Cl 270004a_100015189416_100000210504 [0,2,0,0,0,0|2,0,0]=4 15443 B14R1.9 FCCCNCc1cccc(c1Cl)Cl 34a_100011211633_100011934791 [0,2,0,0,0,0|2,0,0]=4 15444 B14R1.9 FCCCNCc1cccc(c1Cl)Cl 34a_100015189416_100000723366 [0,2,0,0,0,0|2,0,0]=4 15445 B14R1.9 FCCCNCc1cccc(c1Cl)F 207a_100015189416_100011998484 [0,2,0,0,0,0|2,0,0]=4 15446 B14R1.9 FCCCNCc1cccc(c1Cl)F 2230a_100012001614_100011934791 [0,2,0,0,0,0|2,0,0]=4 15447 B14R1.9 FCCCNCc1cccc(c1Cl)F 2230a_100015189416_100000696688 [0,2,0,0,0,0|2,0,0]=4 15448 B14R1.9 FCCCNCc1cccc(c1Cl)F 270004a_100015189416_100011998484 [0,2,0,0,0,0|2,0,0]=4 15449 B14R1.9 FCCCNCc1cccc(c1Cl)F 34a_100012001614_100011934791 [0,2,0,0,0,0|2,0,0]=4 15450 B14R1.9 FCCCNCc1cccc(c1Cl)F 34a_100015189416_100000696688 [0,2,0,0,0,0|2,0,0]=4 15451 B14R1.9 FCCCNCc1cccc(c1F)Br 207a_100015189416_100011361543 [0,2,0,0,0,0|2,0,0]=4 15452 B14R1.9 FCCCNCc1cccc(c1F)Br 2230a_100015189416_100012356506 [0,2,0,0,0,0|2,0,0]=4 15453 B14R1.9 FCCCNCc1cccc(c1F)Br 2230a_100015189953_100011934791 [0,2,0,0,0,0|2,0,0]=4 15454 B14R1.9 FCCCNCc1cccc(c1F)Br 270004a_100015189416_100011361543 [0,2,0,0,0,0|2,0,0]=4 15455 B14R1.9 FCCCNCc1cccc(c1F)Br 34a_100015189416_100012356506 [0,2,0,0,0,0|2,0,0]=4 15456 B14R1.9 FCCCNCc1cccc(c1F)Br 34a_100015189953_100011934791 [0,2,0,0,0,0|2,0,0]=4 15457 B14R1.9 FCCCNCc1cccc(c1F)Cl 207a_100015189416_100000766533 [0,2,0,0,0,0|2,0,0]=4 15458 B14R1.9 FCCCNCc1cccc(c1F)Cl 2230a_100000764326_100011934791 [0,2,0,0,0,0|2,0,0]=4 15459 B14R1.9 FCCCNCc1cccc(c1F)Cl 2230a_100015189416_100000716733 [0,2,0,0,0,0|2,0,0]=4 15460 B14R1.9 FCCCNCc1cccc(c1F)Cl 270004a_100015189416_100000766533 [0,2,0,0,0,0|2,0,0]=4 15461 B14R1.9 FCCCNCc1cccc(c1F)Cl 34a_100000764326_100011934791 [0,2,0,0,0,0|2,0,0]=4 15462 B14R1.9 FCCCNCc1cccc(c1F)Cl 34a_100015189416_100000716733 [0,2,0,0,0,0|2,0,0]=4 15463 B14R1.9 FCCCNCc1cccc(c1F)F 207a_100015189416_100000753312 [0,2,0,0,0,0|2,0,0]=4 15464 B14R1.9 FCCCNCc1cccc(c1F)F 2230a_100011199105_100011934791 [0,2,0,0,0,0|2,0,0]=4 15465 B14R1.9 FCCCNCc1cccc(c1F)F 2230a_100015189416_100000217499 [0,2,0,0,0,0|2,0,0]=4 15466 B14R1.9 FCCCNCc1cccc(c1F)F 270004a_100015189416_100000753312 [0,2,0,0,0,0|2,0,0]=4 15467 B14R1.9 FCCCNCc1cccc(c1F)F 34a_100011199105_100011934791 [0,2,0,0,0,0|2,0,0]=4 15468 B14R1.9 FCCCNCc1cccc(c1F)F 34a_100015189416_100000217499 [0,2,0,0,0,0|2,0,0]=4 15469 B14R1.9 FCCCNCc1cccc(c1F)I 207a_100015189416_100010202174 [0,2,0,0,0,0|2,0,0]=4 15470 B14R1.9 FCCCNCc1cccc(c1F)I 270004a_100015189416_100010202174 [0,2,0,0,0,0|2,0,0]=4 15471 B14R1.9 FCCCNCc1cccc(c1I)F 207a_100015189416_100010186293 [0,2,0,0,0,0|2,0,0]=4 15472 B14R1.9 FCCCNCc1cccc(c1I)F 2230a_100015189416_100010149603 [0,2,0,0,0,0|2,0,0]=4 15473 B14R1.9 FCCCNCc1cccc(c1I)F 270004a_100015189416_100010186293 [0,2,0,0,0,0|2,0,0]=4 15474 B14R1.9 FCCCNCc1cccc(c1I)F 34a_100015189416_100010149603 [0,2,0,0,0,0|2,0,0]=4 15475 B14R1.9 FCCCOCc1cccc(c1Br)Cl 34a_100000759539_100010145525 [0,2,0,0,0,0|2,0,0]=4 15476 B14R1.9 FCCCOCc1cccc(c1Br)Cl 34a_100010168166_100011934791 [0,2,0,0,0,0|2,0,0]=4 15477 B14R1.9 FCCCOCc1cccc(c1Br)Cl 7a_100010168166_100011934791 [0,2,0,0,0,0|2,0,0]=4 15478 B14R1.9 FCCCOCc1cccc(c1Br)F 34a_100000759539_100012351116 [0,2,0,0,0,0|2,0,0]=4 15479 B14R1.9 FCCCOCc1cccc(c1Br)F 34a_100012351117_100011934791 [0,2,0,0,0,0|2,0,0]=4 15480 B14R1.9 FCCCOCc1cccc(c1Br)F 7a_100012351117_100011934791 [0,2,0,0,0,0|2,0,0]=4 15481 B14R1.9 FCCCOCc1cccc(c1Br)I 34a_100000759539_100010254545 [0,2,0,0,0,0|2,0,0]=4 15482 B14R1.9 FCCCOCc1cccc(c1Br)I 34a_100010240205_100011934791 [0,2,0,0,0,0|2,0,0]=4 15483 B14R1.9 FCCCOCc1cccc(c1Br)I 7a_100010240205_100011934791 [0,2,0,0,0,0|2,0,0]=4 15484 B14R1.9 FCCCOCc1cccc(c1Cl)Br 34a_100000759539_100012349491 [0,2,0,0,0,0|2,0,0]=4 15485 B14R1.9 FCCCOCc1cccc(c1Cl)Br 34a_100012351182_100011934791 [0,2,0,0,0,0|2,0,0]=4 15486 B14R1.9 FCCCOCc1cccc(c1Cl)Br 7a_100012351182_100011934791 [0,2,0,0,0,0|2,0,0]=4 15487 B14R1.9 FCCCOCc1cccc(c1Cl)Cl 34a_100000720469_100011934791 [0,2,0,0,0,0|2,0,0]=4 15488 B14R1.9 FCCCOCc1cccc(c1Cl)Cl 34a_100000759539_100000723366 [0,2,0,0,0,0|2,0,0]=4 15489 B14R1.9 FCCCOCc1cccc(c1Cl)Cl 7a_100000720469_100011934791 [0,2,0,0,0,0|2,0,0]=4 15490 B14R1.9 FCCCOCc1cccc(c1Cl)F 34a_100000696319_100011934791 [0,2,0,0,0,0|2,0,0]=4 15491 B14R1.9 FCCCOCc1cccc(c1Cl)F 34a_100000759539_100000696688 [0,2,0,0,0,0|2,0,0]=4 15492 B14R1.9 FCCCOCc1cccc(c1Cl)F 7a_100000696319_100011934791 [0,2,0,0,0,0|2,0,0]=4 15493 B14R1.9 FCCCOCc1cccc(c1F)Br 34a_100000759539_100012356506 [0,2,0,0,0,0|2,0,0]=4 15494 B14R1.9 FCCCOCc1cccc(c1F)Br 34a_100011935076_100011934791 [0,2,0,0,0,0|2,0,0]=4 15495 B14R1.9 FCCCOCc1cccc(c1F)Br 7a_100011935076_100011934791 [0,2,0,0,0,0|2,0,0]=4 15496 B14R1.9 FCCCOCc1cccc(c1F)Cl 34a_100000759539_100000716733 [0,2,0,0,0,0|2,0,0]=4 15497 B14R1.9 FCCCOCc1cccc(c1F)Cl 34a_100011216988_100011934791 [0,2,0,0,0,0|2,0,0]=4 15498 B14R1.9 FCCCOCc1cccc(c1F)Cl 7a_100011216988_100011934791 [0,2,0,0,0,0|2,0,0]=4 15499 B14R1.9 FCCCOCc1cccc(c1F)F 34a_100000759539_100000217499 [0,2,0,0,0,0|2,0,0]=4 15500 B14R1.9 FCCCOCc1cccc(c1F)F 34a_100011218644_100011934791 [0,2,0,0,0,0|2,0,0]=4 15501 B14R1.9 FCCCOCc1cccc(c1F)F 7a_100011218644_100011934791 [0,2,0,0,0,0|2,0,0]=4 15502 B14R1.9 FCCCOCc1cccc(c1F)I 34a_200010235739_100011934791 [0,2,0,0,0,0|2,0,0]=4 15503 B14R1.9 FCCCOCc1cccc(c1F)I 7a_200010235739_100011934791 [0,2,0,0,0,0|2,0,0]=4 15504 B14R1.9 FCCCOCc1cccc(c1I)Br 34a_100010146604_100011934791 [0,2,0,0,0,0|2,0,0]=4 15505 B14R1.9 FCCCOCc1cccc(c1I)Br 7a_100010146604_100011934791 [0,2,0,0,0,0|2,0,0]=4 15506 B14R1.9 FCCCOCc1cccc(c1I)F 34a_100000692438_100011934791 [0,2,0,0,0,0|2,0,0]=4 15507 B14R1.9 FCCCOCc1cccc(c1I)F 34a_100000759539_100010149603 [0,2,0,0,0,0|2,0,0]=4 15508 B14R1.9 FCCCOCc1cccc(c1I)F 7a_100000692438_100011934791 [0,2,0,0,0,0|2,0,0]=4 15509 B14R1.9 FCCCSCc1cccc(c1Br)Cl 62a_100010145525_100011934791 [0,2,0,0,0,0|2,0,0]=4 15510 B14R1.9 FCCCSCc1cccc(c1Br)Cl 62a_100011934791_100010145525 [0,2,0,0,0,0|2,0,0]=4 15511 B14R1.9 FCCCSCc1cccc(c1Br)F 62a_100011934791_100012351116 [0,2,0,0,0,0|2,0,0]=4 15512 B14R1.9 FCCCSCc1cccc(c1Br)F 62a_100012351116_100011934791 [0,2,0,0,0,0|2,0,0]=4 15513 B14R1.9 FCCCSCc1cccc(c1Br)I 62a_100010254545_100011934791 [0,2,0,0,0,0|2,0,0]=4 15514 B14R1.9 FCCCSCc1cccc(c1Br)I 62a_100011934791_100010254545 [0,2,0,0,0,0|2,0,0]=4 15515 B14R1.9 FCCCSCc1cccc(c1Cl)Br 62a_100011934791_100012349491 [0,2,0,0,0,0|2,0,0]=4 15516 B14R1.9 FCCCSCc1cccc(c1Cl)Br 62a_100012349491_100011934791 [0,2,0,0,0,0|2,0,0]=4 15517 B14R1.9 FCCCSCc1cccc(c1Cl)Cl 62a_100000720918_100011934791 [0,2,0,0,0,0|2,0,0]=4 15518 B14R1.9 FCCCSCc1cccc(c1Cl)Cl 62a_100011934791_100000723366 [0,2,0,0,0,0|2,0,0]=4 15519 B14R1.9 FCCCSCc1cccc(c1Cl)F 62a_100000696688_100011934791 [0,2,0,0,0,0|2,0,0]=4 15520 B14R1.9 FCCCSCc1cccc(c1Cl)F 62a_100011934791_100000696688 [0,2,0,0,0,0|2,0,0]=4 15521 B14R1.9 FCCCSCc1cccc(c1F)Br 62a_100011934791_100012356506 [0,2,0,0,0,0|2,0,0]=4 15522 B14R1.9 FCCCSCc1cccc(c1F)Br 62a_100012356506_100011934791 [0,2,0,0,0,0|2,0,0]=4 15523 B14R1.9 FCCCSCc1cccc(c1F)Cl 62a_100000716733_100011934791 [0,2,0,0,0,0|2,0,0]=4 15524 B14R1.9 FCCCSCc1cccc(c1F)Cl 62a_100011934791_100000716733 [0,2,0,0,0,0|2,0,0]=4 15525 B14R1.9 FCCCSCc1cccc(c1F)F 62a_100000217499_100011934791 [0,2,0,0,0,0|2,0,0]=4 15526 B14R1.9 FCCCSCc1cccc(c1F)F 62a_100011934791_100000217499 [0,2,0,0,0,0|2,0,0]=4 15527 B14R1.9 FCCCSCc1cccc(c1I)F 62a_100010149603_100011934791 [0,2,0,0,0,0|2,0,0]=4 15528 B14R1.9 FCCCSCc1cccc(c1I)F 62a_100011934791_100010149603 [0,2,0,0,0,0|2,0,0]=4 15529 B14R1.9 FCCNCCc1cccc(c1Cl)Cl 2230a_100000741019_100011217306 [0,2,0,0,0,0|2,0,0]=4 15530 B14R1.9 FCCNCCc1cccc(c1Cl)Cl 34a_100000724931_100000723033 [0,2,0,0,0,0|2,0,0]=4 15531 B14R1.9 FCCNCCc1cccc(c1Cl)Cl 34a_100000741019_100011217306 [0,2,0,0,0,0|2,0,0]=4 15532 B14R1.9 FCCOCCc1cccc(c1Cl)Cl 34a_100011754357_100011217306 [0,2,0,0,0,0|2,0,0]=4 15533 B14R1.9 FCCOCCc1cccc(c1Cl)Cl 7a_100011754357_100011217306 [0,2,0,0,0,0|2,0,0]=4 15534 B14R1.9 FCCOCCc1cccc(c1F)Cl 34a_100011830271_100011217306 [0,2,0,0,0,0|2,0,0]=4 15535 B14R1.9 FCCOCCc1cccc(c1F)Cl 7a_100011830271_100011217306 [0,2,0,0,0,0|2,0,0]=4 15536 B14R1.9 FCCOCCc1cccc(c1F)F 34a_100000698707_100011217306 [0,2,0,0,0,0|2,0,0]=4 15537 B14R1.9 FCCOCCc1cccc(c1F)F 7a_100000698707_100011217306 [0,2,0,0,0,0|2,0,0]=4 15538 B14R1.9 FCCSCCc1cccc(c1Cl)Cl 62a_100000723033_100011217306 [0,2,0,0,0,0|2,0,0]=4 15539 B14R1.9 FCCSCCc1cccc(c1Cl)Cl 62a_100011217306_100000723033 [0,2,0,0,0,0|2,0,0]=4 15540 B14R1.9 Fc1c(cccc1COCCCBr)Br 34a_100011217188_100012356506 [0,2,0,0,0,0|2,0,0]=4 15541 B14R1.9 Fc1c(cccc1COCCCBr)Cl 34a_100011217188_100000716733 [0,2,0,0,0,0|2,0,0]=4 15542 B14R1.9 Fc1c(cccc1COCCCCl)Br 34a_100000230001_100012356506 [0,2,0,0,0,0|2,0,0]=4 15543 B14R1.9 Fc1c(cccc1COCCCCl)Cl 34a_100000230001_100000716733 [0,2,0,0,0,0|2,0,0]=4 15544 B14R1.9 Fc1cccc(c1Br)COCCCBr 34a_100011217188_100012351116 [0,2,0,0,0,0|2,0,0]=4 15545 B14R1.9 Fc1cccc(c1Br)COCCCCl 34a_100000230001_100012351116 [0,2,0,0,0,0|2,0,0]=4 15546 B14R1.9 Fc1cccc(c1Cl)COCCCBr 34a_100011217188_100000696688 [0,2,0,0,0,0|2,0,0]=4 15547 B14R1.9 Fc1cccc(c1Cl)COCCCCl 34a_100000230001_100000696688 [0,2,0,0,0,0|2,0,0]=4 15548 B14R1.9 Fc1cccc(c1F)COCCCBr 34a_100011217188_100000217499 [0,2,0,0,0,0|2,0,0]=4 15549 B14R1.9 Fc1cccc(c1F)COCCCCl 34a_100000230001_100000217499 [0,2,0,0,0,0|2,0,0]=4 15550 B14R1.9 Fc1cccc(c1I)COCCCBr 34a_100011217188_100010149603 [0,2,0,0,0,0|2,0,0]=4 15551 B14R1.9 Fc1cccc(c1I)COCCCCl 34a_100000230001_100010149603 [0,2,0,0,0,0|2,0,0]=4 15552 B14R1.9 NCCCOCc1cccc(c1Br)Cl 34a_100000182051_100010145525 [0,2,0,0,0,0|2,0,0]=4 15553 B14R1.9 NCCCOCc1cccc(c1Br)F 34a_100000182051_100012351116 [0,2,0,0,0,0|2,0,0]=4 15554 B14R1.9 NCCCOCc1cccc(c1Br)I 34a_100000182051_100010254545 [0,2,0,0,0,0|2,0,0]=4 15555 B14R1.9 NCCCOCc1cccc(c1Cl)Br 34a_100000182051_100012349491 [0,2,0,0,0,0|2,0,0]=4 15556 B14R1.9 NCCCOCc1cccc(c1Cl)Cl 34a_100000182051_100000723366 [0,2,0,0,0,0|2,0,0]=4 15557 B14R1.9 NCCCOCc1cccc(c1Cl)F 34a_100000182051_100000696688 [0,2,0,0,0,0|2,0,0]=4 15558 B14R1.9 NCCCOCc1cccc(c1F)Br 34a_100000182051_100012356506 [0,2,0,0,0,0|2,0,0]=4 15559 B14R1.9 NCCCOCc1cccc(c1F)Cl 34a_100000182051_100000716733 [0,2,0,0,0,0|2,0,0]=4 15560 B14R1.9 NCCCOCc1cccc(c1F)F 34a_100000182051_100000217499 [0,2,0,0,0,0|2,0,0]=4 15561 B14R1.9 NCCCOCc1cccc(c1I)F 34a_100000182051_100010149603 [0,2,0,0,0,0|2,0,0]=4 15562 B14R1.9 NCCOCCc1cccc(c1Cl)Cl 34a_100000210304_100000723033 [0,2,0,0,0,0|2,0,0]=4 15563 B14R1.9 Nc1c(cccc1COCCCF)Br 34a_100012349457_100011934791 [0,2,0,0,0,0|2,0,0]=4 15564 B14R1.9 Nc1c(cccc1COCCCF)Cl 34a_100012182729_100011934791 [0,2,0,0,0,0|2,0,0]=4 15565 B14R1.9 Nc1c(cccc1COCCCF)F 34a_100000692437_100011934791 [0,2,0,0,0,0|2,0,0]=4 15566 B14R1.9 Nc1c(cccc1COCCCO)Br 34a_100012349457_100000230001 [0,2,0,0,0,0|1,0,0]=3 15567 B14R1.9 Nc1c(cccc1COCCCO)Cl 34a_100012182729_100000230001 [0,2,0,0,0,0|1,0,0]=3 15568 B14R1.9 Nc1c(cccc1COCCCO)F 34a_100000692437_100000230001 [0,2,0,0,0,0|1,0,0]=3 15569 B14R1.9 Nc1c(cccc1OCCCCF)Br 34a_100011934926_100000729493 [0,2,0,0,0,0|2,0,0]=4 15570 B14R1.9 Nc1c(cccc1OCCCCF)Br 7a_100011934926_100000729493 [0,2,0,0,0,0|2,0,0]=4 15571 B14R1.9 Nc1c(cccc1OCCCCF)Cl 34a_100012022510_100000729493 [0,2,0,0,0,0|2,0,0]=4 15572 B14R1.9 Nc1c(cccc1OCCCCF)Cl 7a_100012022510_100000729493 [0,2,0,0,0,0|2,0,0]=4 15573 B14R1.9 Nc1c(cccc1OCCCCF)F 34a_100020591140_100000729493 [0,2,0,0,0,0|2,0,0]=4 15574 B14R1.9 Nc1c(cccc1OCCCCF)F 7a_100020591140_100000729493 [0,2,0,0,0,0|2,0,0]=4 15575 B14R1.9 Nc1c(cccc1OCCCCF)I 34a_200000049512_100000729493 [0,2,0,0,0,0|2,0,0]=4 15576 B14R1.9 Nc1c(cccc1OCCCCF)I 7a_200000049512_100000729493 [0,2,0,0,0,0|2,0,0]=4 15577 B14R1.9 Nc1c(cccc1OCCCCO)Br 34a_100011934926_100011216708 [0,2,0,0,0,0|1,0,0]=3 15578 B14R1.9 Nc1c(cccc1OCCCCO)Br 7a_100011934926_100000210776 [0,2,0,0,0,0|1,0,0]=3 15579 B14R1.9 Nc1c(cccc1OCCCCO)Cl 34a_100012022510_100011216708 [0,2,0,0,0,0|1,0,0]=3 15580 B14R1.9 Nc1c(cccc1OCCCCO)Cl 7a_100012022510_100000210776 [0,2,0,0,0,0|1,0,0]=3 15581 B14R1.9 Nc1c(cccc1OCCCCO)F 34a_100020591140_100011216708 [0,2,0,0,0,0|1,0,0]=3 15582 B14R1.9 Nc1c(cccc1OCCCCO)F 7a_100020591140_100000210776 [0,2,0,0,0,0|1,0,0]=3 15583 B14R1.9 Nc1c(cccc1OCCCCO)I 34a_200000049512_100011216708 [0,2,0,0,0,0|1,0,0]=3 15584 B14R1.9 Nc1c(cccc1OCCCCO)I 7a_200000049512_100000210776 [0,2,0,0,0,0|1,0,0]=3 15585 B14R1.9 Nc1c(cccc1SCCCCF)Br 62a_100000729493_100010146558 [0,2,0,0,0,0|2,0,0]=4 15586 B14R1.9 Nc1c(cccc1SCCCCF)Br 62a_100010146558_100000729493 [0,2,0,0,0,0|2,0,0]=4 15587 B14R1.9 Nc1c(cccc1SCCCCF)Cl 62a_100000729493_100010190421 [0,2,0,0,0,0|2,0,0]=4 15588 B14R1.9 Nc1c(cccc1SCCCCF)Cl 62a_100010190421_100000729493 [0,2,0,0,0,0|2,0,0]=4 15589 B14R1.9 Nc1c(cccc1SCCCCF)F 62a_100000042321_100000729493 [0,2,0,0,0,0|2,0,0]=4 15590 B14R1.9 Nc1c(cccc1SCCCCF)F 62a_100000729493_100000042321 [0,2,0,0,0,0|2,0,0]=4 15591 B14R1.9 Nc1c(cccc1SCCCCF)O 62a_100000729493_100011934926 [0,2,0,0,0,0|2,0,0]=4 15592 B14R1.9 Nc1c(cccc1SCCCCO)Br 62a_100000210776_100010146558 [0,2,0,0,0,0|1,0,0]=3 15593 B14R1.9 Nc1c(cccc1SCCCCO)Br 62a_100010146558_100000210776 [0,2,0,0,0,0|1,0,0]=3 15594 B14R1.9 Nc1c(cccc1SCCCCO)Cl 62a_100000210776_100010190421 [0,2,0,0,0,0|1,0,0]=3 15595 B14R1.9 Nc1c(cccc1SCCCCO)Cl 62a_100010190421_100000210776 [0,2,0,0,0,0|1,0,0]=3 15596 B14R1.9 Nc1c(cccc1SCCCCO)F 62a_100000042321_100000210776 [0,2,0,0,0,0|1,0,0]=3 15597 B14R1.9 Nc1c(cccc1SCCCCO)F 62a_100000210776_100000042321 [0,2,0,0,0,0|1,0,0]=3 15598 B14R1.9 Nc1c(cccc1SCCCCO)O 62a_100000210776_100011934926 [0,2,0,0,0,0|1,0,0]=3 15599 B14R1.9 Nc1c(ccnc1Cl)OCCCCO 34a_100000128729_100011216708 [0,2,0,0,0,0|2,0,0]=4 15600 B14R1.9 Nc1c(cncc1SCCCCO)Br 62a_100000210776_100011290786 [0,2,0,0,0,0|2,0,0]=4 15601 B14R1.9 Nc1c(cncc1SCCCCO)Br 62a_100011290786_100000210776 [0,2,0,0,0,0|2,0,0]=4 15602 B14R1.9 Nc1c(cncc1SCCCCO)Cl 62a_100000210776_100000684942 [0,2,0,0,0,0|2,0,0]=4 15603 B14R1.9 Nc1c(cncc1SCCCCO)Cl 62a_100000684942_100000210776 [0,2,0,0,0,0|2,0,0]=4 15604 B14R1.9 Nc1c(cncc1SCCCCO)F 62a_100000210776_100009880649 [0,2,0,0,0,0|2,0,0]=4 15605 B14R1.9 Nc1c(cncc1SCCCCO)F 62a_100009880649_100000210776 [0,2,0,0,0,0|2,0,0]=4 15606 B14R1.9 Nc1cccc(c1Br)OCCCCF 34a_100012183704_100000729493 [0,2,0,0,0,0|2,0,0]=4 15607 B14R1.9 Nc1cccc(c1Br)OCCCCF 7a_100012183704_100000729493 [0,2,0,0,0,0|2,0,0]=4 15608 B14R1.9 Nc1cccc(c1Br)OCCCCO 34a_100012183704_100011216708 [0,2,0,0,0,0|1,0,0]=3 15609 B14R1.9 Nc1cccc(c1Br)OCCCCO 7a_100012183704_100000210776 [0,2,0,0,0,0|1,0,0]=3 15610 B14R1.9 Nc1cccc(c1Cl)OCCCCF 34a_100012002038_100000729493 [0,2,0,0,0,0|2,0,0]=4 15611 B14R1.9 Nc1cccc(c1Cl)OCCCCF 7a_100012002038_100000729493 [0,2,0,0,0,0|2,0,0]=4 15612 B14R1.9 Nc1cccc(c1Cl)OCCCCO 34a_100012002038_100011216708 [0,2,0,0,0,0|1,0,0]=3 15613 B14R1.9 Nc1cccc(c1Cl)OCCCCO 7a_100012002038_100000210776 [0,2,0,0,0,0|1,0,0]=3 15614 B14R1.9 Nc1cccc(c1F)COCCCF 34a_100012023829_100011934791 [0,2,0,0,0,0|2,0,0]=4 15615 B14R1.9 Nc1cccc(c1F)COCCCO 34a_100012023829_100000230001 [0,2,0,0,0,0|1,0,0]=3 15616 B14R1.9 Nc1cccc(c1F)SCCCCF 62a_100000729493_100011935091 [0,2,0,0,0,0|2,0,0]=4 15617 B14R1.9 Nc1cccc(c1F)SCCCCF 62a_100011935091_100000729493 [0,2,0,0,0,0|2,0,0]=4 15618 B14R1.9 Nc1cccc(c1F)SCCCCO 62a_100000210776_100011935091 [0,2,0,0,0,0|1,0,0]=3 15619 B14R1.9 Nc1cccc(c1F)SCCCCO 62a_100011935091_100000210776 [0,2,0,0,0,0|1,0,0]=3 15620 B14R1.9 Nc1cccc(c1N)OCCCCF 34a_100000033209_100000729493 [0,2,0,0,0,0|2,0,0]=4 15621 B14R1.9 Nc1cccc(c1N)OCCCCO 34a_100000033209_100011216708 [0,2,0,0,0,0|1,0,0]=3 15622 B14R1.9 Nc1cccc(c1N)SCCCCF 62a_100015191791_100000729493 [0,2,0,0,0,0|2,0,0]=4 15623 B14R1.9 Nc1cccc(c1N)SCCCCO 62a_100015191791_100000210776 [0,2,0,0,0,0|1,0,0]=3 15624 B14R1.9 Nc1cccc(c1O)SCCCCF 62a_100000729493_100010084371 [0,2,0,0,0,0|2,0,0]=4 15625 B14R1.9 Nc1cccc(c1O)SCCCCF 62a_100011934915_100000729493 [0,2,0,0,0,0|2,0,0]=4 15626 B14R1.9 Nc1cccc(c1O)SCCCCO 62a_100000210776_100010084371 [0,2,0,0,0,0|1,0,0]=3 15627 B14R1.9 Nc1cccc(c1O)SCCCCO 62a_100011934915_100000210776 [0,2,0,0,0,0|1,0,0]=3 15628 B14R1.9 Nc1ccnc(c1Cl)OCCCCO 34a_200000093555_100011216708 [0,2,0,0,0,0|2,0,0]=4 15629 B14R1.9 Nc1ccnc(c1F)SCCCCO 62a_100000210776_100015205195 [0,2,0,0,0,0|2,0,0]=4 15630 B14R1.9 Nc1ccnc(c1F)SCCCCO 62a_100015205195_100000210776 [0,2,0,0,0,0|2,0,0]=4 15631 B14R1.9 Nc1ccnc(c1N)SCCCCO 62a_100000085203_100000210776 [0,2,0,0,0,0|2,0,0]=4 15632 B14R1.9 Nc1ccnc(c1N)SCCCCO 62a_100000210776_100000085203 [0,2,0,0,0,0|2,0,0]=4 15633 B14R1.9 Nc1ccnc(c1O)SCCCCO 62a_100000210776_100009844647 [0,2,0,0,0,0|2,0,0]=4 15634 B14R1.9 Nc1cncc(c1N)SCCCCO 62a_100000210776_100000694774 [0,2,0,0,0,0|2,0,0]=4 15635 B14R1.9 Nc1cncc(c1N)SCCCCO 62a_100000694774_100000210776 [0,2,0,0,0,0|2,0,0]=4 15636 B14R1.9 Nc1cncc(c1O)SCCCCO 62a_100000210776_100000694263 [0,2,0,0,0,0|2,0,0]=4 15637 B14R1.9 Nc1cncc(c1O)SCCCCO 62a_100000694263_100000210776 [0,2,0,0,0,0|2,0,0]=4 15638 B14R1.9 Nc1nccc(c1Cl)SCCCCO 62a_100000210776_100010735111 [0,2,0,0,0,0|2,0,0]=4 15639 B14R1.9 Nc1nccc(c1Cl)SCCCCO 62a_100010735111_100000210776 [0,2,0,0,0,0|2,0,0]=4 15640 B14R1.9 Nc1nccc(c1F)SCCCCO 62a_100000210776_100010077785 [0,2,0,0,0,0|2,0,0]=4 15641 B14R1.9 Nc1nccc(c1F)SCCCCO 62a_100010077785_100000210776 [0,2,0,0,0,0|2,0,0]=4 15642 B14R1.9 Nc1nccc(c1N)SCCCCO 62a_100000124095_100000210776 [0,2,0,0,0,0|2,0,0]=4 15643 B14R1.9 OCCCCNc1cccc(c1Br)Cl 34a_100000687072_100011216708 [0,2,0,0,0,0|1,0,0]=3 15644 B14R1.9 OCCCCNc1cccc(c1Br)F 34a_100011934729_100011216708 [0,2,0,0,0,0|1,0,0]=3 15645 B14R1.9 OCCCCNc1cccc(c1Br)O 34a_100012183704_100011216708 [0,2,0,0,0,0|1,0,0]=3 15646 B14R1.9 OCCCCNc1cccc(c1Br)O 7a_100012183704_100000210776 [0,2,0,0,0,0|1,0,0]=3 15647 B14R1.9 OCCCCNc1cccc(c1Cl)Br 34a_100000687075_100011216708 [0,2,0,0,0,0|1,0,0]=3 15648 B14R1.9 OCCCCNc1cccc(c1Cl)Cl 34a_100000185733_100011216708 [0,2,0,0,0,0|1,0,0]=3 15649 B14R1.9 OCCCCNc1cccc(c1Cl)F 34a_100000692321_100011216708 [0,2,0,0,0,0|1,0,0]=3 15650 B14R1.9 OCCCCNc1cccc(c1Cl)O 34a_100012002038_100011216708 [0,2,0,0,0,0|1,0,0]=3 15651 B14R1.9 OCCCCNc1cccc(c1Cl)O 7a_100012002038_100000210776 [0,2,0,0,0,0|1,0,0]=3 15652 B14R1.9 OCCCCNc1cccc(c1F)Br 2230a_100011935091_100000210776 [0,2,0,0,0,0|1,0,0]=3 15653 B14R1.9 OCCCCNc1cccc(c1F)Br 34a_100011935091_100011216708 [0,2,0,0,0,0|1,0,0]=3 15654 B14R1.9 OCCCCNc1cccc(c1F)Cl 2230a_100000199060_100000210776 [0,2,0,0,0,0|1,0,0]=3 15655 B14R1.9 OCCCCNc1cccc(c1F)Cl 34a_100000199060_100011216708 [0,2,0,0,0,0|1,0,0]=3 15656 B14R1.9 OCCCCNc1cccc(c1F)F 34a_100000743855_100011216708 [0,2,0,0,0,0|1,0,0]=3 15657 B14R1.9 OCCCCNc1cccc(c1I)Br 34a_100020590159_100011216708 [0,2,0,0,0,0|1,0,0]=3 15658 B14R1.9 OCCCCNc1cccc(c1I)Cl 34a_100000049713_100011216708 [0,2,0,0,0,0|1,0,0]=3 15659 B14R1.9 OCCCCNc1cccc(c1I)F 34a_100000690935_100011216708 [0,2,0,0,0,0|1,0,0]=3 15660 B14R1.9 OCCCCNc1cccc(c1O)Br 34a_100011934915_100011216708 [0,2,0,0,0,0|1,0,0]=3 15661 B14R1.9 OCCCCNc1cccc(c1O)Cl 34a_100000754742_100011216708 [0,2,0,0,0,0|1,0,0]=3 15662 B14R1.9 OCCCCNc1cccc(c1O)F 34a_100011934987_100011216708 [0,2,0,0,0,0|1,0,0]=3 15663 B14R1.9 OCCCCNc1ccnc(c1Br)F 27a_100000750430_100010006599 [0,2,0,0,0,0|2,0,0]=4 15664 B14R1.9 OCCCCNc1ccnc(c1Cl)F 27a_100000750430_100010067886 [0,2,0,0,0,0|2,0,0]=4 15665 B14R1.9 OCCCCNc1ccnc(c1F)F 27a_100000750430_100010214882 [0,2,0,0,0,0|2,0,0]=4 15666 B14R1.9 OCCCCOc1cccc(c1Br)Br 34a_100010187966_100011216708 [0,2,0,0,0,0|1,0,0]=3 15667 B14R1.9 OCCCCOc1cccc(c1Br)Br 7a_100010187966_100000210776 [0,2,0,0,0,0|1,0,0]=3 15668 B14R1.9 OCCCCOc1cccc(c1Br)Cl 34a_100012348804_100011216708 [0,2,0,0,0,0|1,0,0]=3 15669 B14R1.9 OCCCCOc1cccc(c1Br)Cl 7a_100012348804_100000210776 [0,2,0,0,0,0|1,0,0]=3 15670 B14R1.9 OCCCCOc1cccc(c1Br)F 34a_100009820682_100011216708 [0,2,0,0,0,0|1,0,0]=3 15671 B14R1.9 OCCCCOc1cccc(c1Br)F 7a_100009820682_100000210776 [0,2,0,0,0,0|1,0,0]=3 15672 B14R1.9 OCCCCOc1cccc(c1Br)I 34a_100010187914_100011216708 [0,2,0,0,0,0|1,0,0]=3 15673 B14R1.9 OCCCCOc1cccc(c1Br)I 7a_100010187914_100000210776 [0,2,0,0,0,0|1,0,0]=3 15674 B14R1.9 OCCCCOc1cccc(c1Cl)Br 34a_100010187913_100011216708 [0,2,0,0,0,0|1,0,0]=3 15675 B14R1.9 OCCCCOc1cccc(c1Cl)Br 7a_100010187913_100000210776 [0,2,0,0,0,0|1,0,0]=3 15676 B14R1.9 OCCCCOc1cccc(c1Cl)Cl 34a_100000211076_100011216708 [0,2,0,0,0,0|1,0,0]=3 15677 B14R1.9 OCCCCOc1cccc(c1Cl)Cl 7a_100000211076_100000210776 [0,2,0,0,0,0|1,0,0]=3 15678 B14R1.9 OCCCCOc1cccc(c1Cl)F 34a_100000087408_100011216708 [0,2,0,0,0,0|1,0,0]=3 15679 B14R1.9 OCCCCOc1cccc(c1Cl)F 7a_100000087408_100000210776 [0,2,0,0,0,0|1,0,0]=3 15680 B14R1.9 OCCCCOc1cccc(c1Cl)I 34a_100000049636_100011216708 [0,2,0,0,0,0|1,0,0]=3 15681 B14R1.9 OCCCCOc1cccc(c1Cl)I 7a_100000049636_100000210776 [0,2,0,0,0,0|1,0,0]=3 15682 B14R1.9 OCCCCOc1cccc(c1F)Br 34a_100009817021_100011216708 [0,2,0,0,0,0|1,0,0]=3 15683 B14R1.9 OCCCCOc1cccc(c1F)Br 7a_100009817021_100000210776 [0,2,0,0,0,0|1,0,0]=3 15684 B14R1.9 OCCCCOc1cccc(c1F)Cl 34a_100000687438_100011216708 [0,2,0,0,0,0|1,0,0]=3 15685 B14R1.9 OCCCCOc1cccc(c1F)Cl 7a_100000687438_100000210776 [0,2,0,0,0,0|1,0,0]=3 15686 B14R1.9 OCCCCOc1cccc(c1F)F 34a_100000751161_100011216708 [0,2,0,0,0,0|1,0,0]=3 15687 B14R1.9 OCCCCOc1cccc(c1F)F 7a_100000751161_100000210776 [0,2,0,0,0,0|1,0,0]=3 15688 B14R1.9 OCCCCOc1cccc(c1I)Br 34a_100010187912_100011216708 [0,2,0,0,0,0|1,0,0]=3 15689 B14R1.9 OCCCCOc1cccc(c1I)Br 7a_100010187912_100000210776 [0,2,0,0,0,0|1,0,0]=3 15690 B14R1.9 OCCCCOc1cccc(c1I)Cl 34a_100000050174_100011216708 [0,2,0,0,0,0|1,0,0]=3 15691 B14R1.9 OCCCCOc1cccc(c1I)Cl 7a_100000050174_100000210776 [0,2,0,0,0,0|1,0,0]=3 15692 B14R1.9 OCCCCOc1cccc(c1I)F 34a_100000690913_100011216708 [0,2,0,0,0,0|1,0,0]=3 15693 B14R1.9 OCCCCOc1cccc(c1I)F 7a_100000690913_100000210776 [0,2,0,0,0,0|1,0,0]=3 15694 B14R1.9 OCCCCOc1ccnc(c1Br)Cl 34a_100010136240_100011216708 [0,2,0,0,0,0|2,0,0]=4 15695 B14R1.9 OCCCCOc1ccnc(c1Cl)Cl 34a_100009860235_100011216708 [0,2,0,0,0,0|2,0,0]=4 15696 B14R1.9 OCCCCOc1ccnc(c1F)Br 34a_100009876375_100011216708 [0,2,0,0,0,0|2,0,0]=4 15697 B14R1.9 OCCCCOc1ccnc(c1F)Cl 34a_100009856406_100011216708 [0,2,0,0,0,0|2,0,0]=4 15698 B14R1.9 OCCCCSc1cccc(c1Br)Br 62a_100000210776_100010175083 [0,2,0,0,0,0|1,0,0]=3 15699 B14R1.9 OCCCCSc1cccc(c1Br)Br 62a_100010175083_100000210776 [0,2,0,0,0,0|1,0,0]=3 15700 B14R1.9 OCCCCSc1cccc(c1Br)Cl 62a_100000210776_100014021842 [0,2,0,0,0,0|1,0,0]=3 15701 B14R1.9 OCCCCSc1cccc(c1Br)Cl 62a_100014021842_100000210776 [0,2,0,0,0,0|1,0,0]=3 15702 B14R1.9 OCCCCSc1cccc(c1Br)F 62a_100000210776_100010202630 [0,2,0,0,0,0|1,0,0]=3 15703 B14R1.9 OCCCCSc1cccc(c1Br)F 62a_100010202630_100000210776 [0,2,0,0,0,0|1,0,0]=3 15704 B14R1.9 OCCCCSc1cccc(c1Br)O 62a_100000210776_100010187914 [0,2,0,0,0,0|1,0,0]=3 15705 B14R1.9 OCCCCSc1cccc(c1Br)O 62a_100010187914_100000210776 [0,2,0,0,0,0|1,0,0]=3 15706 B14R1.9 OCCCCSc1cccc(c1Cl)Br 62a_100000210776_100010142854 [0,2,0,0,0,0|1,0,0]=3 15707 B14R1.9 OCCCCSc1cccc(c1Cl)Br 62a_100010142854_100000210776 [0,2,0,0,0,0|1,0,0]=3 15708 B14R1.9 OCCCCSc1cccc(c1Cl)Cl 62a_100000210776_100011215384 [0,2,0,0,0,0|1,0,0]=3 15709 B14R1.9 OCCCCSc1cccc(c1Cl)Cl 62a_100011215384_100000210776 [0,2,0,0,0,0|1,0,0]=3 15710 B14R1.9 OCCCCSc1cccc(c1Cl)F 62a_100000210776_200010234923 [0,2,0,0,0,0|1,0,0]=3 15711 B14R1.9 OCCCCSc1cccc(c1Cl)F 62a_200010234923_100000210776 [0,2,0,0,0,0|1,0,0]=3 15712 B14R1.9 OCCCCSc1cccc(c1Cl)O 62a_100000210776_100000049636 [0,2,0,0,0,0|1,0,0]=3 15713 B14R1.9 OCCCCSc1cccc(c1F)Br 62a_100000210776_100000702267 [0,2,0,0,0,0|1,0,0]=3 15714 B14R1.9 OCCCCSc1cccc(c1F)Br 62a_100000702267_100000210776 [0,2,0,0,0,0|1,0,0]=3 15715 B14R1.9 OCCCCSc1cccc(c1F)Cl 62a_100000210776_100011217346 [0,2,0,0,0,0|1,0,0]=3 15716 B14R1.9 OCCCCSc1cccc(c1F)Cl 62a_100011217346_100000210776 [0,2,0,0,0,0|1,0,0]=3 15717 B14R1.9 OCCCCSc1cccc(c1F)F 62a_100000210776_100000694657 [0,2,0,0,0,0|1,0,0]=3 15718 B14R1.9 OCCCCSc1cccc(c1F)F 62a_100000694657_100000210776 [0,2,0,0,0,0|1,0,0]=3 15719 B14R1.9 OCCCCSc1cccc(c1F)O 62a_100000210776_100009817021 [0,2,0,0,0,0|1,0,0]=3 15720 B14R1.9 OCCCCSc1cccc(c1F)O 62a_100009817021_100000210776 [0,2,0,0,0,0|1,0,0]=3 15721 B14R1.9 OCCCCSc1cccc(c1O)Br 62a_100000210776_100010084509 [0,2,0,0,0,0|1,0,0]=3 15722 B14R1.9 OCCCCSc1cccc(c1O)Br 62a_100010084509_100000210776 [0,2,0,0,0,0|1,0,0]=3 15723 B14R1.9 OCCCCSc1cccc(c1O)Cl 62a_100000210776_100010202889 [0,2,0,0,0,0|1,0,0]=3 15724 B14R1.9 OCCCCSc1cccc(c1O)Cl 62a_100010202889_100000210776 [0,2,0,0,0,0|1,0,0]=3 15725 B14R1.9 OCCCCSc1cccc(c1O)F 62a_100000210776_100009813666 [0,2,0,0,0,0|1,0,0]=3 15726 B14R1.9 OCCCCSc1cccc(c1O)F 62a_100009813666_100000210776 [0,2,0,0,0,0|1,0,0]=3 15727 B14R1.9 OCCCCSc1cccc(c1O)O 62a_100000210776_100009815950 [0,2,0,0,0,0|1,0,0]=3 15728 B14R1.9 OCCCCSc1ccnc(c1Br)F 62a_100000210776_100010006599 [0,2,0,0,0,0|2,0,0]=4 15729 B14R1.9 OCCCCSc1ccnc(c1Br)F 62a_100010006599_100000210776 [0,2,0,0,0,0|2,0,0]=4 15730 B14R1.9 OCCCCSc1ccnc(c1Cl)Cl 62a_100000210776_100010246212 [0,2,0,0,0,0|2,0,0]=4 15731 B14R1.9 OCCCCSc1ccnc(c1Cl)Cl 62a_100010246212_100000210776 [0,2,0,0,0,0|2,0,0]=4 15732 B14R1.9 OCCCCSc1ccnc(c1Cl)F 62a_100000210776_100010067886 [0,2,0,0,0,0|2,0,0]=4 15733 B14R1.9 OCCCCSc1ccnc(c1Cl)F 62a_100010067886_100000210776 [0,2,0,0,0,0|2,0,0]=4 15734 B14R1.9 OCCCCSc1ccnc(c1F)Br 62a_100000210776_200015269031 [0,2,0,0,0,0|2,0,0]=4 15735 B14R1.9 OCCCCSc1ccnc(c1F)Br 62a_200015269031_100000210776 [0,2,0,0,0,0|2,0,0]=4 15736 B14R1.9 OCCCCSc1ccnc(c1F)Cl 62a_100000210776_100010150473 [0,2,0,0,0,0|2,0,0]=4 15737 B14R1.9 OCCCCSc1ccnc(c1F)Cl 62a_100010150473_100000210776 [0,2,0,0,0,0|2,0,0]=4 15738 B14R1.9 OCCCCSc1ccnc(c1F)F 62a_100000210776_100010214882 [0,2,0,0,0,0|2,0,0]=4 15739 B14R1.9 OCCCCSc1ccnc(c1F)F 62a_100010214882_100000210776 [0,2,0,0,0,0|2,0,0]=4 15740 B14R1.9 OCCCCSc1ccnc(c1O)Cl 62a_100000210776_100010067911 [0,2,0,0,0,0|2,0,0]=4 15741 B14R1.9 OCCCCSc1nccc(c1F)O 62a_100000210776_100009876375 [0,2,0,0,0,0|2,0,0]=4 15742 B14R1.9 OCCCCSc1nccc(c1F)O 62a_100009876375_100000210776 [0,2,0,0,0,0|2,0,0]=4 15743 B14R1.9 OCCCCSc1nccc(c1O)F 62a_100000210776_100009867227 [0,2,0,0,0,0|2,0,0]=4 15744 B14R1.9 OCCCNCc1cccc(c1Br)Br 207a_100000182051_100010240334 [0,2,0,0,0,0|1,0,0]=3 15745 B14R1.9 OCCCNCc1cccc(c1Br)Br 270004a_100000182051_100010240334 [0,2,0,0,0,0|1,0,0]=3 15746 B14R1.9 OCCCNCc1cccc(c1Br)Cl 207a_100000182051_100010232083 [0,2,0,0,0,0|1,0,0]=3 15747 B14R1.9 OCCCNCc1cccc(c1Br)Cl 270004a_100000182051_100010232083 [0,2,0,0,0,0|1,0,0]=3 15748 B14R1.9 OCCCNCc1cccc(c1Br)F 207a_100000182051_100011934749 [0,2,0,0,0,0|1,0,0]=3 15749 B14R1.9 OCCCNCc1cccc(c1Br)F 2230a_100020638964_100000230001 [0,2,0,0,0,0|1,0,0]=3 15750 B14R1.9 OCCCNCc1cccc(c1Br)F 270004a_100000182051_100011934749 [0,2,0,0,0,0|1,0,0]=3 15751 B14R1.9 OCCCNCc1cccc(c1Br)F 34a_100020638964_100000230001 [0,2,0,0,0,0|1,0,0]=3 15752 B14R1.9 OCCCNCc1cccc(c1Cl)Br 207a_100000182051_100012362481 [0,2,0,0,0,0|1,0,0]=3 15753 B14R1.9 OCCCNCc1cccc(c1Cl)Br 270004a_100000182051_100012362481 [0,2,0,0,0,0|1,0,0]=3 15754 B14R1.9 OCCCNCc1cccc(c1Cl)Cl 207a_100000182051_100000210504 [0,2,0,0,0,0|1,0,0]=3 15755 B14R1.9 OCCCNCc1cccc(c1Cl)Cl 2230a_100011211633_100000230001 [0,2,0,0,0,0|1,0,0]=3 15756 B14R1.9 OCCCNCc1cccc(c1Cl)Cl 270004a_100000182051_100000210504 [0,2,0,0,0,0|1,0,0]=3 15757 B14R1.9 OCCCNCc1cccc(c1Cl)Cl 34a_100011211633_100000230001 [0,2,0,0,0,0|1,0,0]=3 15758 B14R1.9 OCCCNCc1cccc(c1Cl)F 207a_100000182051_100011998484 [0,2,0,0,0,0|1,0,0]=3 15759 B14R1.9 OCCCNCc1cccc(c1Cl)F 2230a_100012001614_100000230001 [0,2,0,0,0,0|1,0,0]=3 15760 B14R1.9 OCCCNCc1cccc(c1Cl)F 270004a_100000182051_100011998484 [0,2,0,0,0,0|1,0,0]=3 15761 B14R1.9 OCCCNCc1cccc(c1Cl)F 34a_100012001614_100000230001 [0,2,0,0,0,0|1,0,0]=3 15762 B14R1.9 OCCCNCc1cccc(c1Cl)O 270004a_100000182051_100000050521 [0,2,0,0,0,0|1,0,0]=3 15763 B14R1.9 OCCCNCc1cccc(c1F)Br 207a_100000182051_100011361543 [0,2,0,0,0,0|1,0,0]=3 15764 B14R1.9 OCCCNCc1cccc(c1F)Br 2230a_100015189953_100000230001 [0,2,0,0,0,0|1,0,0]=3 15765 B14R1.9 OCCCNCc1cccc(c1F)Br 270004a_100000182051_100011361543 [0,2,0,0,0,0|1,0,0]=3 15766 B14R1.9 OCCCNCc1cccc(c1F)Br 34a_100015189953_100000230001 [0,2,0,0,0,0|1,0,0]=3 15767 B14R1.9 OCCCNCc1cccc(c1F)Cl 207a_100000182051_100000766533 [0,2,0,0,0,0|1,0,0]=3 15768 B14R1.9 OCCCNCc1cccc(c1F)Cl 2230a_100000764326_100000230001 [0,2,0,0,0,0|1,0,0]=3 15769 B14R1.9 OCCCNCc1cccc(c1F)Cl 270004a_100000182051_100000766533 [0,2,0,0,0,0|1,0,0]=3 15770 B14R1.9 OCCCNCc1cccc(c1F)Cl 34a_100000764326_100000230001 [0,2,0,0,0,0|1,0,0]=3 15771 B14R1.9 OCCCNCc1cccc(c1F)F 207a_100000182051_100000753312 [0,2,0,0,0,0|1,0,0]=3 15772 B14R1.9 OCCCNCc1cccc(c1F)F 2230a_100011199105_100000230001 [0,2,0,0,0,0|1,0,0]=3 15773 B14R1.9 OCCCNCc1cccc(c1F)F 270004a_100000182051_100000753312 [0,2,0,0,0,0|1,0,0]=3 15774 B14R1.9 OCCCNCc1cccc(c1F)F 34a_100011199105_100000230001 [0,2,0,0,0,0|1,0,0]=3 15775 B14R1.9 OCCCNCc1cccc(c1F)I 207a_100000182051_100010202174 [0,2,0,0,0,0|1,0,0]=3 15776 B14R1.9 OCCCNCc1cccc(c1F)I 270004a_100000182051_100010202174 [0,2,0,0,0,0|1,0,0]=3 15777 B14R1.9 OCCCNCc1cccc(c1F)O 34a_100025773512_100000230001 [0,2,0,0,0,0|1,0,0]=3 15778 B14R1.9 OCCCNCc1cccc(c1I)F 207a_100000182051_100010186293 [0,2,0,0,0,0|1,0,0]=3 15779 B14R1.9 OCCCNCc1cccc(c1I)F 270004a_100000182051_100010186293 [0,2,0,0,0,0|1,0,0]=3 15780 B14R1.9 OCCCNCc1ccnc(c1Br)Cl 207a_100000182051_200010064870 [0,2,0,0,0,0|2,0,0]=4 15781 B14R1.9 OCCCNCc1ccnc(c1Cl)Br 270004a_100000182051_100010171661 [0,2,0,0,0,0|2,0,0]=4 15782 B14R1.9 OCCCNCc1ccnc(c1Cl)F 270004a_100000182051_100009856171 [0,2,0,0,0,0|2,0,0]=4 15783 B14R1.9 OCCCNCc1cncc(c1Cl)Br 207a_100000182051_100010173560 [0,2,0,0,0,0|2,0,0]=4 15784 B14R1.9 OCCCNCc1nccc(c1F)Br 270004a_100000182051_100015713984 [0,2,0,0,0,0|2,0,0]=4 15785 B14R1.9 OCCCOCc1cccc(c1Br)Cl 34a_100010168166_100000230001 [0,2,0,0,0,0|1,0,0]=3 15786 B14R1.9 OCCCOCc1cccc(c1Br)Cl 7a_100010168166_100011215043 [0,2,0,0,0,0|1,0,0]=3 15787 B14R1.9 OCCCOCc1cccc(c1Br)F 34a_100012351117_100000230001 [0,2,0,0,0,0|1,0,0]=3 15788 B14R1.9 OCCCOCc1cccc(c1Br)F 7a_100012351117_100011215043 [0,2,0,0,0,0|1,0,0]=3 15789 B14R1.9 OCCCOCc1cccc(c1Br)I 34a_100010240205_100000230001 [0,2,0,0,0,0|1,0,0]=3 15790 B14R1.9 OCCCOCc1cccc(c1Br)I 7a_100010240205_100011215043 [0,2,0,0,0,0|1,0,0]=3 15791 B14R1.9 OCCCOCc1cccc(c1Cl)Br 34a_100012351182_100000230001 [0,2,0,0,0,0|1,0,0]=3 15792 B14R1.9 OCCCOCc1cccc(c1Cl)Br 7a_100012351182_100011215043 [0,2,0,0,0,0|1,0,0]=3 15793 B14R1.9 OCCCOCc1cccc(c1Cl)Cl 34a_100000720469_100000230001 [0,2,0,0,0,0|1,0,0]=3 15794 B14R1.9 OCCCOCc1cccc(c1Cl)Cl 7a_100000720469_100011215043 [0,2,0,0,0,0|1,0,0]=3 15795 B14R1.9 OCCCOCc1cccc(c1Cl)F 34a_100000696319_100000230001 [0,2,0,0,0,0|1,0,0]=3 15796 B14R1.9 OCCCOCc1cccc(c1Cl)F 7a_100000696319_100011215043 [0,2,0,0,0,0|1,0,0]=3 15797 B14R1.9 OCCCOCc1cccc(c1F)Br 34a_100011935076_100000230001 [0,2,0,0,0,0|1,0,0]=3 15798 B14R1.9 OCCCOCc1cccc(c1F)Br 7a_100011935076_100011215043 [0,2,0,0,0,0|1,0,0]=3 15799 B14R1.9 OCCCOCc1cccc(c1F)Cl 34a_100011216988_100000230001 [0,2,0,0,0,0|1,0,0]=3 15800 B14R1.9 OCCCOCc1cccc(c1F)Cl 7a_100011216988_100011215043 [0,2,0,0,0,0|1,0,0]=3 15801 B14R1.9 OCCCOCc1cccc(c1F)F 34a_100011218644_100000230001 [0,2,0,0,0,0|1,0,0]=3 15802 B14R1.9 OCCCOCc1cccc(c1F)F 7a_100011218644_100011215043 [0,2,0,0,0,0|1,0,0]=3 15803 B14R1.9 OCCCOCc1cccc(c1F)I 34a_200010235739_100000230001 [0,2,0,0,0,0|1,0,0]=3 15804 B14R1.9 OCCCOCc1cccc(c1F)I 7a_200010235739_100011215043 [0,2,0,0,0,0|1,0,0]=3 15805 B14R1.9 OCCCOCc1cccc(c1I)Br 34a_100010146604_100000230001 [0,2,0,0,0,0|1,0,0]=3 15806 B14R1.9 OCCCOCc1cccc(c1I)Br 7a_100010146604_100011215043 [0,2,0,0,0,0|1,0,0]=3 15807 B14R1.9 OCCCOCc1cccc(c1I)F 34a_100000692438_100000230001 [0,2,0,0,0,0|1,0,0]=3 15808 B14R1.9 OCCCOCc1cccc(c1I)F 7a_100000692438_100011215043 [0,2,0,0,0,0|1,0,0]=3 15809 B14R1.9 OCCCOCc1ccnc(c1F)Br 34a_100010065242_100000230001 [0,2,0,0,0,0|2,0,0]=4 15810 B14R1.9 OCCCOCc1ccnc(c1F)Br 7a_100010065242_100011215043 [0,2,0,0,0,0|2,0,0]=4 15811 B14R1.9 OCCCOCc1ccnc(c1F)Cl 34a_100000101314_100000230001 [0,2,0,0,0,0|2,0,0]=4 15812 B14R1.9 OCCCOCc1ccnc(c1F)Cl 7a_100000101314_100011215043 [0,2,0,0,0,0|2,0,0]=4 15813 B14R1.9 OCCCSCc1cccc(c1Br)Cl 62a_100010145525_100011215043 [0,2,0,0,0,0|1,0,0]=3 15814 B14R1.9 OCCCSCc1cccc(c1Br)Cl 62a_100011215043_100010145525 [0,2,0,0,0,0|1,0,0]=3 15815 B14R1.9 OCCCSCc1cccc(c1Br)F 62a_100011215043_100012351116 [0,2,0,0,0,0|1,0,0]=3 15816 B14R1.9 OCCCSCc1cccc(c1Br)F 62a_100012351116_100011215043 [0,2,0,0,0,0|1,0,0]=3 15817 B14R1.9 OCCCSCc1cccc(c1Br)I 62a_100010254545_100011215043 [0,2,0,0,0,0|1,0,0]=3 15818 B14R1.9 OCCCSCc1cccc(c1Br)I 62a_100011215043_100010254545 [0,2,0,0,0,0|1,0,0]=3 15819 B14R1.9 OCCCSCc1cccc(c1Cl)Br 62a_100011215043_100012349491 [0,2,0,0,0,0|1,0,0]=3 15820 B14R1.9 OCCCSCc1cccc(c1Cl)Br 62a_100012349491_100011215043 [0,2,0,0,0,0|1,0,0]=3 15821 B14R1.9 OCCCSCc1cccc(c1Cl)Cl 62a_100000720918_100011215043 [0,2,0,0,0,0|1,0,0]=3 15822 B14R1.9 OCCCSCc1cccc(c1Cl)Cl 62a_100011215043_100000723366 [0,2,0,0,0,0|1,0,0]=3 15823 B14R1.9 OCCCSCc1cccc(c1Cl)F 62a_100000696688_100011215043 [0,2,0,0,0,0|1,0,0]=3 15824 B14R1.9 OCCCSCc1cccc(c1Cl)F 62a_100011215043_100000696688 [0,2,0,0,0,0|1,0,0]=3 15825 B14R1.9 OCCCSCc1cccc(c1F)Br 62a_100011215043_100012356506 [0,2,0,0,0,0|1,0,0]=3 15826 B14R1.9 OCCCSCc1cccc(c1F)Br 62a_100012356506_100011215043 [0,2,0,0,0,0|1,0,0]=3 15827 B14R1.9 OCCCSCc1cccc(c1F)Cl 62a_100000716733_100011215043 [0,2,0,0,0,0|1,0,0]=3 15828 B14R1.9 OCCCSCc1cccc(c1F)Cl 62a_100011215043_100000716733 [0,2,0,0,0,0|1,0,0]=3 15829 B14R1.9 OCCCSCc1cccc(c1F)F 62a_100000217499_100011215043 [0,2,0,0,0,0|1,0,0]=3 15830 B14R1.9 OCCCSCc1cccc(c1F)F 62a_100011215043_100000217499 [0,2,0,0,0,0|1,0,0]=3 15831 B14R1.9 OCCCSCc1cccc(c1I)F 62a_100010149603_100011215043 [0,2,0,0,0,0|1,0,0]=3 15832 B14R1.9 OCCCSCc1cccc(c1I)F 62a_100011215043_100010149603 [0,2,0,0,0,0|1,0,0]=3 15833 B14R1.9 OCCNCCc1cccc(c1Cl)Cl 2230a_100000741019_100000211926 [0,2,0,0,0,0|1,0,0]=3 15834 B14R1.9 OCCNCCc1cccc(c1Cl)Cl 2230a_100016997473_100000723033 [0,2,0,0,0,0|1,0,0]=3 15835 B14R1.9 OCCNCCc1cccc(c1Cl)Cl 34a_100000741019_100000211926 [0,2,0,0,0,0|1,0,0]=3 15836 B14R1.9 OCCNCCc1cccc(c1Cl)Cl 34a_100016990907_100000723033 [0,2,0,0,0,0|1,0,0]=3 15837 B14R1.9 OCCOCCc1cccc(c1Cl)Cl 34a_100011754357_100000211926 [0,2,0,0,0,0|1,0,0]=3 15838 B14R1.9 OCCOCCc1cccc(c1Cl)Cl 7a_100011754357_100000211926 [0,2,0,0,0,0|1,0,0]=3 15839 B14R1.9 OCCOCCc1cccc(c1F)Cl 34a_100011830271_100000211926 [0,2,0,0,0,0|1,0,0]=3 15840 B14R1.9 OCCOCCc1cccc(c1F)Cl 7a_100011830271_100000211926 [0,2,0,0,0,0|1,0,0]=3 15841 B14R1.9 OCCOCCc1cccc(c1F)F 34a_100000698707_100000211926 [0,2,0,0,0,0|1,0,0]=3 15842 B14R1.9 OCCOCCc1cccc(c1F)F 7a_100000698707_100000211926 [0,2,0,0,0,0|1,0,0]=3 15843 B14R1.9 OCCSCCc1cccc(c1Cl)Cl 62a_100000211926_100000723033 [0,2,0,0,0,0|1,0,0]=3 15844 B14R1.9 OCCSCCc1cccc(c1Cl)Cl 62a_100000723033_100000211926 [0,2,0,0,0,0|1,0,0]=3 15845 B14R1.9 Oc1c(cccc1NCCCCF)Br 34a_100011934915_100000729493 [0,2,0,0,0,0|2,0,0]=4 15846 B14R1.9 Oc1c(cccc1NCCCCF)Cl 34a_100000754742_100000729493 [0,2,0,0,0,0|2,0,0]=4 15847 B14R1.9 Oc1c(cccc1NCCCCF)F 34a_100011934987_100000729493 [0,2,0,0,0,0|2,0,0]=4 15848 B14R1.9 Oc1c(cccc1SCCCCF)Br 62a_100000729493_100010084509 [0,2,0,0,0,0|2,0,0]=4 15849 B14R1.9 Oc1c(cccc1SCCCCF)Br 62a_100010084509_100000729493 [0,2,0,0,0,0|2,0,0]=4 15850 B14R1.9 Oc1c(cccc1SCCCCF)Cl 62a_100000729493_100010202889 [0,2,0,0,0,0|2,0,0]=4 15851 B14R1.9 Oc1c(cccc1SCCCCF)Cl 62a_100010202889_100000729493 [0,2,0,0,0,0|2,0,0]=4 15852 B14R1.9 Oc1c(cccc1SCCCCF)F 62a_100000729493_100009813666 [0,2,0,0,0,0|2,0,0]=4 15853 B14R1.9 Oc1c(cccc1SCCCCF)F 62a_100009813666_100000729493 [0,2,0,0,0,0|2,0,0]=4 15854 B14R1.9 Oc1cccc(c1Br)NCCCCF 34a_100012183704_100000729493 [0,2,0,0,0,0|2,0,0]=4 15855 B14R1.9 Oc1cccc(c1Br)NCCCCF 7a_100012183704_100000729493 [0,2,0,0,0,0|2,0,0]=4 15856 B14R1.9 Oc1cccc(c1Br)SCCCCF 62a_100000729493_100010187914 [0,2,0,0,0,0|2,0,0]=4 15857 B14R1.9 Oc1cccc(c1Br)SCCCCF 62a_100010187914_100000729493 [0,2,0,0,0,0|2,0,0]=4 15858 B14R1.9 Oc1cccc(c1Cl)CNCCCF 270004a_100015189416_100000050521 [0,2,0,0,0,0|2,0,0]=4 15859 B14R1.9 Oc1cccc(c1Cl)NCCCCF 34a_100012002038_100000729493 [0,2,0,0,0,0|2,0,0]=4 15860 B14R1.9 Oc1cccc(c1Cl)NCCCCF 7a_100012002038_100000729493 [0,2,0,0,0,0|2,0,0]=4 15861 B14R1.9 Oc1cccc(c1Cl)SCCCCF 62a_100000729493_100000049636 [0,2,0,0,0,0|2,0,0]=4 15862 B14R1.9 Oc1cccc(c1F)CNCCCF 34a_100025773512_100011934791 [0,2,0,0,0,0|2,0,0]=4 15863 B14R1.9 Oc1cccc(c1F)SCCCCF 62a_100000729493_100009817021 [0,2,0,0,0,0|2,0,0]=4 15864 B14R1.9 Oc1cccc(c1F)SCCCCF 62a_100009817021_100000729493 [0,2,0,0,0,0|2,0,0]=4 15865 B14R1.9 Oc1cccc(c1O)SCCCCF 62a_100000729493_100009815950 [0,2,0,0,0,0|2,0,0]=4 15866 B14R1.20 CC(NCCCF)c1cccc(c1)Br 2230a_100020642005_100011934791 [0,2,0,0,0,0|2,0,0]=4 15867 B14R1.20 CC(NCCCF)c1cccc(c1)Br 269862a_100015189416_100000210093 [0,2,0,0,0,0|2,0,0]=4 15868 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 2230a_100102723534_100011934791 [0,2,0,0,0,0|2,0,0]=4 15869 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 269862a_100015189416_200000210964 [0,2,0,0,0,0|2,0,0]=4 15870 B14R1.20 CC(NCCCF)c1cccc(c1)Cl 34a_100102723534_100011934791 [0,2,0,0,0,0|2,0,0]=4 15871 B14R1.20 CC(NCCCF)c1cccc(c1)F 269862a_100015189416_100000187083 [0,2,0,0,0,0|2,0,0]=4 15872 B14R1.20 CC(NCCCF)c1cccc(c1)I 269862a_100015189416_100011356966 [0,2,0,0,0,0|2,0,0]=4 15873 B14R1.20 CC(NCCCF)c1cccc(c1)O 2230a_100000740644_100011934791 [0,2,0,0,0,0|2,0,0]=4 15874 B14R1.20 CC(NCCCF)c1cccc(c1)O 269862a_100015189416_100000211620 [0,2,0,0,0,0|2,0,0]=4 15875 B14R1.20 CC(NCCCO)c1cc(ccn1)Br 269862a_100000182051_100000709912 [0,2,0,0,0,0|2,0,0]=4 15876 B14R1.20 CC(NCCCO)c1cc(ccn1)Br 270004a_100000182051_100000709912 [0,2,0,0,0,0|2,0,0]=4 15877 B14R1.20 CC(NCCCO)c1cc(ccn1)Cl 269862a_100000182051_100000099826 [0,2,0,0,0,0|2,0,0]=4 15878 B14R1.20 CC(NCCCO)c1cc(ccn1)Cl 270004a_100000182051_100000099826 [0,2,0,0,0,0|2,0,0]=4 15879 B14R1.20 CC(NCCCO)c1cccc(c1)Br 2230a_100020642005_100000230001 [0,2,0,0,0,0|1,0,0]=3 15880 B14R1.20 CC(NCCCO)c1cccc(c1)Br 269862a_100000182051_100000210093 [0,2,0,0,0,0|1,0,0]=3 15881 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 2230a_100102723534_100000230001 [0,2,0,0,0,0|1,0,0]=3 15882 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 269862a_100000182051_200000210964 [0,2,0,0,0,0|1,0,0]=3 15883 B14R1.20 CC(NCCCO)c1cccc(c1)Cl 34a_100102723534_100000230001 [0,2,0,0,0,0|1,0,0]=3 15884 B14R1.20 CC(NCCCO)c1cccc(c1)F 269862a_100000182051_100000187083 [0,2,0,0,0,0|1,0,0]=3 15885 B14R1.20 CC(NCCCO)c1cccc(c1)I 269862a_100000182051_100011356966 [0,2,0,0,0,0|1,0,0]=3 15886 B14R1.20 CC(NCCCO)c1cccc(c1)O 2230a_100000740644_100000230001 [0,2,0,0,0,0|1,0,0]=3 15887 B14R1.20 CC(NCCCO)c1cccc(c1)O 269862a_100000182051_100000211620 [0,2,0,0,0,0|1,0,0]=3 15888 B14R1.20 CC(NCCCO)c1cccc(n1)Br 2230a_200010173468_100000230001 [0,2,0,0,0,0|2,0,0]=4 15889 B14R1.20 CC(NCCCO)c1cccc(n1)Br 269862a_100000182051_100009816502 [0,2,0,0,0,0|2,0,0]=4 15890 B14R1.20 CC(NCCCO)c1cccc(n1)Cl 269862a_100000182051_100000085735 [0,2,0,0,0,0|2,0,0]=4 15891 B14R1.20 CC(NCCCO)c1cccc(n1)F 269862a_100000182051_100000092306 [0,2,0,0,0,0|2,0,0]=4 15892 B14R1.20 CC(NCCCO)c1ccnc(c1)Br 269862a_100000182051_100010177706 [0,2,0,0,0,0|2,0,0]=4 15893 B14R1.20 CC(NCCCO)c1ccnc(c1)Cl 269862a_100000182051_100000685609 [0,2,0,0,0,0|2,0,0]=4 15894 B14R1.20 CC(NCCCO)c1cncc(c1)Br 269862a_100000182051_100011216243 [0,2,0,0,0,0|2,0,0]=4 15895 B14R1.20 CC(NCCCO)c1cncc(c1)F 269862a_100000182051_100000758212 [0,2,0,0,0,0|2,0,0]=4 15896 B14R1.20 CC(OCCCF)c1cccc(c1)Br 34a_100000246457_100011934791 [0,2,0,0,0,0|2,0,0]=4 15897 B14R1.20 CC(OCCCF)c1cccc(c1)Br 7a_100000246457_100011934791 [0,2,0,0,0,0|2,0,0]=4 15898 B14R1.20 CC(OCCCF)c1cccc(c1)F 34a_100000744526_100011934791 [0,2,0,0,0,0|2,0,0]=4 15899 B14R1.20 CC(OCCCF)c1cccc(c1)F 7a_100000744526_100011934791 [0,2,0,0,0,0|2,0,0]=4 15900 B14R1.20 CC(OCCCF)c1cccc(c1)I 34a_100013085317_100011934791 [0,2,0,0,0,0|2,0,0]=4 15901 B14R1.20 CC(OCCCF)c1cccc(c1)I 7a_100013085317_100011934791 [0,2,0,0,0,0|2,0,0]=4 15902 B14R1.20 CC(OCCCF)c1cccc(c1)N 34a_100011217120_100011934791 [0,2,0,0,0,0|2,0,0]=4 15903 B14R1.20 CC(OCCCF)c1cccc(c1)N 7a_100011217120_100011934791 [0,2,0,0,0,0|2,0,0]=4 15904 B14R1.20 CC(OCCCO)c1cc(ccn1)Cl 7a_100000144657_100011215043 [0,2,0,0,0,0|2,0,0]=4 15905 B14R1.20 CC(OCCCO)c1cccc(c1)Br 34a_100000246457_100000230001 [0,2,0,0,0,0|1,0,0]=3 15906 B14R1.20 CC(OCCCO)c1cccc(c1)Br 7a_100000246457_100011215043 [0,2,0,0,0,0|1,0,0]=3 15907 B14R1.20 CC(OCCCO)c1cccc(c1)F 34a_100000744526_100000230001 [0,2,0,0,0,0|1,0,0]=3 15908 B14R1.20 CC(OCCCO)c1cccc(c1)F 7a_100000744526_100011215043 [0,2,0,0,0,0|1,0,0]=3 15909 B14R1.20 CC(OCCCO)c1cccc(c1)I 34a_100013085317_100000230001 [0,2,0,0,0,0|1,0,0]=3 15910 B14R1.20 CC(OCCCO)c1cccc(c1)I 7a_100013085317_100011215043 [0,2,0,0,0,0|1,0,0]=3 15911 B14R1.20 CC(OCCCO)c1cccc(c1)N 34a_100011217120_100000230001 [0,2,0,0,0,0|1,0,0]=3 15912 B14R1.20 CC(OCCCO)c1cccc(c1)N 7a_100011217120_100011215043 [0,2,0,0,0,0|1,0,0]=3 15913 B14R1.20 CC(OCCCO)c1cccc(n1)Br 7a_100009820884_100011215043 [0,2,0,0,0,0|2,0,0]=4 15914 B14R1.20 CC(OCCCO)c1cncc(c1)Br 34a_100012351597_100000230001 [0,2,0,0,0,0|2,0,0]=4 15915 B14R1.20 CC(OCCCO)c1cncc(c1)Br 7a_100012351597_100011215043 [0,2,0,0,0,0|2,0,0]=4 15916 B14R1.20 CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210326 [0,2,0,0,0,0|1,0,1]=4 15917 B14R1.20 CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210326 [0,2,0,0,0,0|1,0,1]=4 15918 B14R1.20 CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210326 [0,2,0,0,0,0|1,0,1]=4 15919 B14R1.20 CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210326 [0,2,0,0,0,0|1,0,1]=4 15920 B14R1.20 CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210326 [0,2,0,0,0,0|1,0,1]=4 15921 B14R1.20 CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210326 [0,2,0,0,0,0|1,0,1]=4 15922 B14R1.20 CCCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210326 [0,2,0,0,0,0|2,0,0]=4 15923 B14R1.20 CCCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210215 [0,2,0,0,0,0|2,0,0]=4 15924 B14R1.20 CCCCCN(C)c1cccc(c1)Br 34a_100000219648_100000718602 [0,2,0,0,0,0|2,0,0]=4 15925 B14R1.20 CCCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210326 [0,2,0,0,0,0|2,0,0]=4 15926 B14R1.20 CCCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210215 [0,2,0,0,0,0|2,0,0]=4 15927 B14R1.20 CCCCCN(C)c1cccc(c1)C 34a_100000219674_100000718602 [0,2,0,0,0,0|2,0,0]=4 15928 B14R1.20 CCCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210326 [0,2,0,0,0,0|2,0,0]=4 15929 B14R1.20 CCCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210215 [0,2,0,0,0,0|2,0,0]=4 15930 B14R1.20 CCCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000718602 [0,2,0,0,0,0|2,0,0]=4 15931 B14R1.20 CCCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210326 [0,2,0,0,0,0|2,0,0]=4 15932 B14R1.20 CCCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210215 [0,2,0,0,0,0|2,0,0]=4 15933 B14R1.20 CCCCCN(C)c1cccc(c1)F 34a_100020633736_100000718602 [0,2,0,0,0,0|2,0,0]=4 15934 B14R1.20 CCCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210326 [0,2,0,0,0,0|2,0,0]=4 15935 B14R1.20 CCCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210215 [0,2,0,0,0,0|2,0,0]=4 15936 B14R1.20 CCCCCN(C)c1cccc(c1)I 34a_100000221217_100000718602 [0,2,0,0,0,0|2,0,0]=4 15937 B14R1.20 CCCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210326 [0,2,0,0,0,0|2,0,0]=4 15938 B14R1.20 CCCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210215 [0,2,0,0,0,0|2,0,0]=4 15939 B14R1.20 CCCCCN(C)c1cccc(c1)O 34a_100000756613_100000718602 [0,2,0,0,0,0|2,0,0]=4 15940 B14R1.20 CCCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210211 [0,2,0,0,0,0|2,0,0]=4 15941 B14R1.20 CCCCNC(C)c1cccc(c1)Br 269862a_100000102301_100000210093 [0,2,0,0,0,0|2,0,0]=4 15942 B14R1.20 CCCCNC(C)c1cccc(c1)C 269862a_100000102301_100000211476 [0,2,0,0,0,0|2,0,0]=4 15943 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210211 [0,2,0,0,0,0|2,0,0]=4 15944 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 269862a_100000102301_200000210964 [0,2,0,0,0,0|2,0,0]=4 15945 B14R1.20 CCCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210210 [0,2,0,0,0,0|2,0,0]=4 15946 B14R1.20 CCCCNC(C)c1cccc(c1)F 269862a_100000102301_100000187083 [0,2,0,0,0,0|2,0,0]=4 15947 B14R1.20 CCCCNC(C)c1cccc(c1)I 269862a_100000102301_100011356966 [0,2,0,0,0,0|2,0,0]=4 15948 B14R1.20 CCCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210211 [0,2,0,0,0,0|2,0,0]=4 15949 B14R1.20 CCCCNC(C)c1cccc(c1)O 269862a_100000102301_100000211620 [0,2,0,0,0,0|2,0,0]=4 15950 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210211 [0,2,0,0,0,0|2,0,0]=4 15951 B14R1.20 CCCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210210 [0,2,0,0,0,0|2,0,0]=4 15952 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210211 [0,2,0,0,0,0|2,0,0]=4 15953 B14R1.20 CCCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210210 [0,2,0,0,0,0|2,0,0]=4 15954 B14R1.20 CCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210210 [0,2,0,0,0,0|2,0,0]=4 15955 B14R1.20 CCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210211 [0,2,0,0,0,0|2,0,0]=4 15956 B14R1.20 CCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210210 [0,2,0,0,0,0|2,0,0]=4 15957 B14R1.20 CCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210211 [0,2,0,0,0,0|2,0,0]=4 15958 B14R1.20 CCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210210 [0,2,0,0,0,0|2,0,0]=4 15959 B14R1.20 CCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210211 [0,2,0,0,0,0|2,0,0]=4 15960 B14R1.20 CCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210210 [0,2,0,0,0,0|2,0,0]=4 15961 B14R1.20 CCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210211 [0,2,0,0,0,0|2,0,0]=4 15962 B14R1.20 CCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210210 [0,2,0,0,0,0|2,0,0]=4 15963 B14R1.20 CCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210211 [0,2,0,0,0,0|2,0,0]=4 15964 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210210 [0,2,0,0,0,0|2,0,0]=4 15965 B14R1.20 CCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210211 [0,2,0,0,0,0|2,0,0]=4 15966 B14R1.20 CCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210303 [0,2,0,0,0,0|2,0,0]=4 15967 B14R1.20 CCCNCC(O)c1cccc(c1)O 34a_100020657549_100000210303 [0,2,0,0,0,0|2,0,0]=4 15968 B14R1.20 CCCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210303 [0,2,0,0,0,0|2,0,0]=4 15969 B14R1.20 CCCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210303 [0,2,0,0,0,0|2,0,0]=4 15970 B14R1.20 CCCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210303 [0,2,0,0,0,0|2,0,0]=4 15971 B14R1.20 CCCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210303 [0,2,0,0,0,0|2,0,0]=4 15972 B14R1.20 CCOCCC(N)c1cccc(c1)Br 34a_200011661555_100000210202 [0,2,0,0,0,0|2,0,0]=4 15973 B14R1.20 CCOCCC(N)c1cccc(c1)C 34a_100011661531_100000210202 [0,2,0,0,0,0|2,0,0]=4 15974 B14R1.20 CCOCCC(N)c1cccc(c1)Cl 34a_200011661548_100000210202 [0,2,0,0,0,0|2,0,0]=4 15975 B14R1.20 CCOCCC(N)c1cccc(c1)F 34a_100011661530_100000210202 [0,2,0,0,0,0|2,0,0]=4 15976 B14R1.20 CN(CCCCF)c1cccc(c1)Br 2230a_100000219648_100000729493 [0,2,0,0,0,0|2,0,0]=4 15977 B14R1.20 CN(CCCCF)c1cccc(c1)Br 269982a_100000219648_100000729493 [0,2,0,0,0,0|2,0,0]=4 15978 B14R1.20 CN(CCCCF)c1cccc(c1)Br 34a_100000219648_100000729493 [0,2,0,0,0,0|2,0,0]=4 15979 B14R1.20 CN(CCCCF)c1cccc(c1)Cl 2230a_100000220044_100000729493 [0,2,0,0,0,0|2,0,0]=4 15980 B14R1.20 CN(CCCCF)c1cccc(c1)Cl 269982a_100000220044_100000729493 [0,2,0,0,0,0|2,0,0]=4 15981 B14R1.20 CN(CCCCF)c1cccc(c1)Cl 34a_100000220044_100000729493 [0,2,0,0,0,0|2,0,0]=4 15982 B14R1.20 CN(CCCCF)c1cccc(c1)F 2230a_100020633736_100000729493 [0,2,0,0,0,0|2,0,0]=4 15983 B14R1.20 CN(CCCCF)c1cccc(c1)F 269982a_100020633736_100000729493 [0,2,0,0,0,0|2,0,0]=4 15984 B14R1.20 CN(CCCCF)c1cccc(c1)F 34a_100020633736_100000729493 [0,2,0,0,0,0|2,0,0]=4 15985 B14R1.20 CN(CCCCF)c1cccc(c1)I 2230a_100000221217_100000729493 [0,2,0,0,0,0|2,0,0]=4 15986 B14R1.20 CN(CCCCF)c1cccc(c1)I 269982a_100000221217_100000729493 [0,2,0,0,0,0|2,0,0]=4 15987 B14R1.20 CN(CCCCF)c1cccc(c1)I 34a_100000221217_100000729493 [0,2,0,0,0,0|2,0,0]=4 15988 B14R1.20 CN(CCCCF)c1cccc(c1)O 2230a_100000756613_100000729493 [0,2,0,0,0,0|2,0,0]=4 15989 B14R1.20 CN(CCCCF)c1cccc(c1)O 269982a_100000756613_100000729493 [0,2,0,0,0,0|2,0,0]=4 15990 B14R1.20 CN(CCCCF)c1cccc(c1)O 34a_100000756613_100000729493 [0,2,0,0,0,0|2,0,0]=4 15991 B14R1.20 CN(CCCCO)c1cc(ccn1)F 27a_100000717598_100000764206 [0,2,0,0,0,0|2,0,0]=4 15992 B14R1.20 CN(CCCCO)c1cc[nH]c(=O)c1 27a_100000717598_100000061649 [0,2,0,0,0,0|2,0,0]=4 15993 B14R1.20 CN(CCCCO)c1cccc(c1)Br 2230a_100000219648_100000210776 [0,2,0,0,0,0|1,0,0]=3 15994 B14R1.20 CN(CCCCO)c1cccc(c1)Br 269982a_100000219648_100000210776 [0,2,0,0,0,0|1,0,0]=3 15995 B14R1.20 CN(CCCCO)c1cccc(c1)Br 34a_100000219648_100011216708 [0,2,0,0,0,0|1,0,0]=3 15996 B14R1.20 CN(CCCCO)c1cccc(c1)Cl 2230a_100000220044_100000210776 [0,2,0,0,0,0|1,0,0]=3 15997 B14R1.20 CN(CCCCO)c1cccc(c1)Cl 269982a_100000220044_100000210776 [0,2,0,0,0,0|1,0,0]=3 15998 B14R1.20 CN(CCCCO)c1cccc(c1)Cl 34a_100000220044_100011216708 [0,2,0,0,0,0|1,0,0]=3 15999 B14R1.20 CN(CCCCO)c1cccc(c1)F 2230a_100020633736_100000210776 [0,2,0,0,0,0|1,0,0]=3 16000 B14R1.20 CN(CCCCO)c1cccc(c1)F 269982a_100020633736_100000210776 [0,2,0,0,0,0|1,0,0]=3 16001 B14R1.20 CN(CCCCO)c1cccc(c1)F 34a_100020633736_100011216708 [0,2,0,0,0,0|1,0,0]=3 16002 B14R1.20 CN(CCCCO)c1cccc(c1)I 2230a_100000221217_100000210776 [0,2,0,0,0,0|1,0,0]=3 16003 B14R1.20 CN(CCCCO)c1cccc(c1)I 269982a_100000221217_100000210776 [0,2,0,0,0,0|1,0,0]=3 16004 B14R1.20 CN(CCCCO)c1cccc(c1)I 34a_100000221217_100011216708 [0,2,0,0,0,0|1,0,0]=3 16005 B14R1.20 CN(CCCCO)c1cccc(c1)O 2230a_100000756613_100000210776 [0,2,0,0,0,0|1,0,0]=3 16006 B14R1.20 CN(CCCCO)c1cccc(c1)O 269982a_100000756613_100000210776 [0,2,0,0,0,0|1,0,0]=3 16007 B14R1.20 CN(CCCCO)c1cccc(c1)O 34a_100000756613_100011216708 [0,2,0,0,0,0|1,0,0]=3 16008 B14R1.20 CN(CCCCO)c1cccc(n1)F 27a_100000717598_100009815982 [0,2,0,0,0,0|2,0,0]=4 16009 B14R1.20 CN(CCCCO)c1ccnc(c1)F 27a_100000717598_100009816116 [0,2,0,0,0,0|2,0,0]=4 16010 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 2230a_100015193778_100011934791 [0,2,0,0,0,0|2,0,0]=4 16011 B14R1.20 C[C@@H](NCCCF)c1cccc(c1)F 34a_100015193778_100011934791 [0,2,0,0,0,0|2,0,0]=4 16012 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 2230a_100015193778_100000230001 [0,2,0,0,0,0|1,0,0]=3 16013 B14R1.20 C[C@@H](NCCCO)c1cccc(c1)F 34a_100015193778_100000230001 [0,2,0,0,0,0|1,0,0]=3 16014 B14R1.20 C[C@@H](NCCCO)c1cncc(c1)Br 2230a_100012350620_100000230001 [0,2,0,0,0,0|2,0,0]=4 16015 B14R1.20 C[C@@H](OCCCF)c1cccc(c1)Cl 34a_100000747380_100011934791 [0,2,0,0,0,0|2,0,0]=4 16016 B14R1.20 C[C@@H](OCCCF)c1cccc(c1)Cl 7a_100000747380_100011934791 [0,2,0,0,0,0|2,0,0]=4 16017 B14R1.20 C[C@@H](OCCCO)c1cccc(c1)Cl 34a_100000747380_100000230001 [0,2,0,0,0,0|1,0,0]=3 16018 B14R1.20 C[C@@H](OCCCO)c1cccc(c1)Cl 7a_100000747380_100011215043 [0,2,0,0,0,0|1,0,0]=3 16019 B14R1.20 C[C@H](NCCCO)c1cccc(n1)F 2230a_100025709760_100000230001 [0,2,0,0,0,0|2,0,0]=4 16020 B14R1.20 C[C@H](NCCCO)c1cccc(n1)F 34a_100025709760_100000230001 [0,2,0,0,0,0|2,0,0]=4 16021 B14R1.20 Cc1cc(ccn1)C(C)NCCCO 269862a_100000182051_100011998260 [0,2,0,0,0,0|2,0,0]=4 16022 B14R1.20 Cc1cc(ccn1)N(C)CCCCO 27a_100000717598_100000758586 [0,2,0,0,0,0|2,0,0]=4 16023 B14R1.20 Cc1cccc(c1)C(=O)CCCCF 1458a_100000189346_100000729493 [0,2,0,0,0,0|1,0,1]=4 16024 B14R1.20 Cc1cccc(c1)C(=O)CCCCO 1458a_100000189346_100000210776 [0,2,0,0,0,0|0,0,1]=3 16025 B14R1.20 Cc1cccc(c1)C(=O)CNCCO 2230a_100016997473_100000739480 [0,2,0,0,0,0|1,0,1]=4 16026 B14R1.20 Cc1cccc(c1)C(=O)CNCCO 34a_100016990907_100000739480 [0,2,0,0,0,0|1,0,1]=4 16027 B14R1.20 Cc1cccc(c1)C(=O)CSCCO 62a_100000211926_100000739480 [0,2,0,0,0,0|1,0,1]=4 16028 B14R1.20 Cc1cccc(c1)C(=O)CSCCO 62a_100000739480_100000211926 [0,2,0,0,0,0|1,0,1]=4 16029 B14R1.20 Cc1cccc(c1)C(=O)NCCCO 240690a_100000182051_100000189346 [0,2,0,0,0,0|1,0,1]=4 16030 B14R1.20 Cc1cccc(c1)C(=O)NCCCO 527a_100000182051_100000189346 [0,2,0,0,0,0|1,0,1]=4 16031 B14R1.20 Cc1cccc(c1)C(C)NCCCF 269862a_100015189416_100000211476 [0,2,0,0,0,0|2,0,0]=4 16032 B14R1.20 Cc1cccc(c1)C(C)NCCCO 269862a_100000182051_100000211476 [0,2,0,0,0,0|1,0,0]=3 16033 B14R1.20 Cc1cccc(c1)C(C)OCCCF 34a_100000757818_100011934791 [0,2,0,0,0,0|2,0,0]=4 16034 B14R1.20 Cc1cccc(c1)C(C)OCCCF 7a_100000757818_100011934791 [0,2,0,0,0,0|2,0,0]=4 16035 B14R1.20 Cc1cccc(c1)C(C)OCCCO 34a_100000757818_100000230001 [0,2,0,0,0,0|1,0,0]=3 16036 B14R1.20 Cc1cccc(c1)C(C)OCCCO 7a_100000757818_100011215043 [0,2,0,0,0,0|1,0,0]=3 16037 B14R1.20 Cc1cccc(c1)C(N)CCOCF 34a_100011661531_100015361967 [0,2,0,0,0,0|2,0,0]=4 16038 B14R1.20 Cc1cccc(c1)N(C)CCCCF 2230a_100000219674_100000729493 [0,2,0,0,0,0|2,0,0]=4 16039 B14R1.20 Cc1cccc(c1)N(C)CCCCF 269982a_100000219674_100000729493 [0,2,0,0,0,0|2,0,0]=4 16040 B14R1.20 Cc1cccc(c1)N(C)CCCCF 34a_100000219674_100000729493 [0,2,0,0,0,0|2,0,0]=4 16041 B14R1.20 Cc1cccc(c1)N(C)CCCCO 2230a_100000219674_100000210776 [0,2,0,0,0,0|1,0,0]=3 16042 B14R1.20 Cc1cccc(c1)N(C)CCCCO 269982a_100000219674_100000210776 [0,2,0,0,0,0|1,0,0]=3 16043 B14R1.20 Cc1cccc(c1)N(C)CCCCO 34a_100000219674_100011216708 [0,2,0,0,0,0|1,0,0]=3 16044 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 2230a_100000698126_100011934791 [0,2,0,0,0,0|2,0,0]=4 16045 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCF 34a_100000698126_100011934791 [0,2,0,0,0,0|2,0,0]=4 16046 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO 2230a_100000698126_100000230001 [0,2,0,0,0,0|1,0,0]=3 16047 B14R1.20 Cc1cccc(c1)[C@@H](C)NCCCO 34a_100000698126_100000230001 [0,2,0,0,0,0|1,0,0]=3 16048 B14R1.20 Cc1cccc(c1)[C@H](N)COCCF 34a_100009818812_100011217306 [0,2,0,0,0,0|2,0,0]=4 16049 B14R1.20 Cc1cccc(c1)[C@H](N)COCCO 34a_100009818812_100000211926 [0,2,0,0,0,0|1,0,0]=3 16050 B14R1.20 Cc1cccc(n1)C(C)NCCCO 2230a_100011877385_100000230001 [0,2,0,0,0,0|2,0,0]=4 16051 B14R1.20 Cc1cccc(n1)C(C)NCCCO 269862a_100000182051_100011877301 [0,2,0,0,0,0|2,0,0]=4 16052 B14R1.20 Cc1cccc(n1)C(C)OCCCO 34a_200011877368_100000230001 [0,2,0,0,0,0|2,0,0]=4 16053 B14R1.20 Cc1cccc(n1)C(C)OCCCO 7a_200011877368_100011215043 [0,2,0,0,0,0|2,0,0]=4 16054 B14R1.20 Cc1ccnc(c1)C(C)NCCCO 2230a_100011933787_100000230001 [0,2,0,0,0,0|2,0,0]=4 16055 B14R1.20 Cc1ccnc(c1)C(C)NCCCO 269862a_100000182051_100000728896 [0,2,0,0,0,0|2,0,0]=4 16056 B14R1.20 Cc1ccnc(c1)C(C)NCCCO 270004a_100000182051_100000728896 [0,2,0,0,0,0|2,0,0]=4 16057 B14R1.20 Cc1cncc(c1)C(C)NCCCO 269862a_100000182051_100000702010 [0,2,0,0,0,0|2,0,0]=4 16058 B14R1.20 NC(CCOCF)c1cccc(c1)Br 34a_200011661555_100015361967 [0,2,0,0,0,0|2,0,0]=4 16059 B14R1.20 NC(CCOCF)c1cccc(c1)Cl 34a_200011661548_100015361967 [0,2,0,0,0,0|2,0,0]=4 16060 B14R1.20 NC(CCOCF)c1cccc(c1)F 34a_100011661530_100015361967 [0,2,0,0,0,0|2,0,0]=4 16061 B14R1.20 NC(COCCF)c1cccc(c1)Br 34a_100000690078_100011217306 [0,2,0,0,0,0|2,0,0]=4 16062 B14R1.20 NC(COCCO)c1cccc(c1)Br 34a_100000690078_100000211926 [0,2,0,0,0,0|1,0,0]=3 16063 B14R1.20 NC(COCCO)c1cccc(n1)F 34a_200020642391_100000211926 [0,2,0,0,0,0|2,0,0]=4 16064 B14R1.20 N[C@@H](COCCF)c1cccc(c1)Cl 34a_100032004910_100011217306 [0,2,0,0,0,0|2,0,0]=4 16065 B14R1.20 N[C@@H](COCCO)c1cccc(c1)Cl 34a_100032004910_100000211926 [0,2,0,0,0,0|1,0,0]=3 16066 B14R1.20 N[C@H](COCCF)c1cccc(c1)F 34a_100020641251_100011217306 [0,2,0,0,0,0|2,0,0]=4 16067 B14R1.20 N[C@H](COCCO)c1cccc(c1)F 34a_100020641251_100000211926 [0,2,0,0,0,0|1,0,0]=3 16068 B14R1.20 O=C(CCCCF)c1cccc(c1)Br 1458a_100000210664_100000729493 [0,2,0,0,0,0|1,0,1]=4 16069 B14R1.20 O=C(CCCCF)c1cccc(c1)Cl 1458a_100000210390_100000729493 [0,2,0,0,0,0|1,0,1]=4 16070 B14R1.20 O=C(CCCCF)c1cccc(c1)F 1458a_100000210950_100000729493 [0,2,0,0,0,0|1,0,1]=4 16071 B14R1.20 O=C(CCCCF)c1cccc(c1)I 1458a_100000184098_100000729493 [0,2,0,0,0,0|1,0,1]=4 16072 B14R1.20 O=C(CCCCF)c1cccc(c1)O 1458a_100000183914_100000729493 [0,2,0,0,0,0|1,0,1]=4 16073 B14R1.20 O=C(CCCCO)c1cccc(c1)Br 1458a_100000210664_100000210776 [0,2,0,0,0,0|0,0,1]=3 16074 B14R1.20 O=C(CCCCO)c1cccc(c1)Cl 1458a_100000210390_100000210776 [0,2,0,0,0,0|0,0,1]=3 16075 B14R1.20 O=C(CCCCO)c1cccc(c1)F 1458a_100000210950_100000210776 [0,2,0,0,0,0|0,0,1]=3 16076 B14R1.20 O=C(CCCCO)c1cccc(c1)I 1458a_100000184098_100000210776 [0,2,0,0,0,0|0,0,1]=3 16077 B14R1.20 O=C(CCCCO)c1cccc(c1)O 1458a_100000183914_100000210776 [0,2,0,0,0,0|0,0,1]=3 16078 B14R1.20 O=C(CNCCO)c1cccc(c1)Br 2230a_100016997473_100000212080 [0,2,0,0,0,0|1,0,1]=4 16079 B14R1.20 O=C(CNCCO)c1cccc(c1)Br 34a_100016990907_100000212080 [0,2,0,0,0,0|1,0,1]=4 16080 B14R1.20 O=C(CNCCO)c1cccc(c1)Cl 2230a_100016997473_100000211444 [0,2,0,0,0,0|1,0,1]=4 16081 B14R1.20 O=C(CNCCO)c1cccc(c1)Cl 34a_100016990907_100000211444 [0,2,0,0,0,0|1,0,1]=4 16082 B14R1.20 O=C(CNCCO)c1cccc(c1)F 2230a_100016997473_100000215616 [0,2,0,0,0,0|1,0,1]=4 16083 B14R1.20 O=C(CNCCO)c1cccc(c1)F 34a_100016990907_100000215616 [0,2,0,0,0,0|1,0,1]=4 16084 B14R1.20 O=C(CNCCO)c1cccc(c1)O 34a_100016990907_100009813753 [0,2,0,0,0,0|1,0,1]=4 16085 B14R1.20 O=C(COCCO)c1cccc(c1)Cl 7a_200011592804_100000211926 [0,2,0,0,0,0|1,0,1]=4 16086 B14R1.20 O=C(COCCO)c1cccc(c1)F 34a_100011592800_100000211926 [0,2,0,0,0,0|1,0,1]=4 16087 B14R1.20 O=C(COCCO)c1cccc(c1)F 7a_100011592800_100000211926 [0,2,0,0,0,0|1,0,1]=4 16088 B14R1.20 O=C(CSCCO)c1cccc(c1)Br 62a_100000211926_100000212080 [0,2,0,0,0,0|1,0,1]=4 16089 B14R1.20 O=C(CSCCO)c1cccc(c1)Br 62a_100000212080_100000211926 [0,2,0,0,0,0|1,0,1]=4 16090 B14R1.20 O=C(CSCCO)c1cccc(c1)Cl 62a_100000211444_100000211926 [0,2,0,0,0,0|1,0,1]=4 16091 B14R1.20 O=C(CSCCO)c1cccc(c1)Cl 62a_100000211926_100000211444 [0,2,0,0,0,0|1,0,1]=4 16092 B14R1.20 O=C(CSCCO)c1cccc(c1)F 62a_100000211926_100000215616 [0,2,0,0,0,0|1,0,1]=4 16093 B14R1.20 O=C(CSCCO)c1cccc(c1)F 62a_100000215616_100000211926 [0,2,0,0,0,0|1,0,1]=4 16094 B14R1.20 O=C(CSCCO)c1cccc(c1)O 62a_100000211926_100009813753 [0,2,0,0,0,0|1,0,1]=4 16095 B14R1.20 O=C(CSCCO)c1cccc(c1)O 62a_100009813753_100000211926 [0,2,0,0,0,0|1,0,1]=4 16096 B14R1.20 O=C(NCCCO)c1cccc(c1)Br 240690a_100000182051_100000210664 [0,2,0,0,0,0|1,0,1]=4 16097 B14R1.20 O=C(NCCCO)c1cccc(c1)Br 527a_100000182051_100000210664 [0,2,0,0,0,0|1,0,1]=4 16098 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl 240690a_100000182051_100000210390 [0,2,0,0,0,0|1,0,1]=4 16099 B14R1.20 O=C(NCCCO)c1cccc(c1)Cl 527a_100000182051_100000210390 [0,2,0,0,0,0|1,0,1]=4 16100 B14R1.20 O=C(NCCCO)c1cccc(c1)F 240690a_100000182051_100000210950 [0,2,0,0,0,0|1,0,1]=4 16101 B14R1.20 O=C(NCCCO)c1cccc(c1)F 527a_100000182051_100000210950 [0,2,0,0,0,0|1,0,1]=4 16102 B14R1.20 O=C(NCCCO)c1cccc(c1)I 240690a_100000182051_100000184098 [0,2,0,0,0,0|1,0,1]=4 16103 B14R1.20 O=C(NCCCO)c1cccc(c1)I 527a_100000182051_100000184098 [0,2,0,0,0,0|1,0,1]=4 16104 B14R1.20 O=C(NCCCO)c1cccc(c1)O 240690a_100000182051_100000183914 [0,2,0,0,0,0|1,0,1]=4 16105 B14R1.20 O=C(NCCCO)c1cccc(c1)O 527a_100000182051_100000183914 [0,2,0,0,0,0|1,0,1]=4 16106 B14R1.20 OCCNCC(O)c1cccc(c1)O 2230a_100020657549_100000211926 [0,2,0,0,0,0|1,0,0]=3 16107 B14R1.20 OCCNCC(O)c1cccc(c1)O 34a_100020657549_100000211926 [0,2,0,0,0,0|1,0,0]=3 16108 B14R1.20 Oc1cccc(c1)C(O)CNCCF 2230a_100020657549_100011217306 [0,2,0,0,0,0|2,0,0]=4 16109 B14R1.20 Oc1cccc(c1)C(O)CNCCF 34a_100020657549_100011217306 [0,2,0,0,0,0|2,0,0]=4 16110 B14R1.26 BrCCCCOCc1cc(ccn1)Br 34a_100011216708_100010173614 [0,2,0,0,0,0|2,0,0]=4 16111 B14R1.26 BrCCCCOCc1cccc(c1)Br 34a_100011216708_100000698116 [0,2,0,0,0,0|1,0,0]=3 16112 B14R1.26 BrCCCCOCc1cccc(c1)I 34a_100011216708_100011218688 [0,2,0,0,0,0|1,0,0]=3 16113 B14R1.26 BrCCCCOCc1cccc(n1)Br 34a_100011216708_100009889011 [0,2,0,0,0,0|2,0,0]=4 16114 B14R1.26 BrCCCCOCc1ccnc(c1)Br 34a_100011216708_100010243470 [0,2,0,0,0,0|2,0,0]=4 16115 B14R1.26 BrCCCCOCc1cncc(c1)Br 34a_100011216708_100000738771 [0,2,0,0,0,0|2,0,0]=4 16116 B14R1.26 BrCCCOCCc1cccc(c1)Br 34a_100011217188_100011740638 [0,2,0,0,0,0|1,0,0]=3 16117 B14R1.26 BrCCOCCCc1cccc(c1)Br 34a_100000211926_100011713683 [0,2,0,0,0,0|1,0,0]=3 16118 B14R1.26 BrCCOCCOc1cccc(c1)Br 34a_100000211926_100000183150 [0,2,0,0,0,0|2,0,0]=4 16119 B14R1.26 Brc1cc(ccn1)COCCCCI 34a_200012148704_100010243470 [0,2,0,0,0,0|2,0,0]=4 16120 B14R1.26 Brc1cccc(c1)COCCCCI 34a_200012148704_100000698116 [0,2,0,0,0,0|1,0,0]=3 16121 B14R1.26 Brc1cccc(n1)COCCCCI 34a_200012148704_100009889011 [0,2,0,0,0,0|2,0,0]=4 16122 B14R1.26 Brc1ccnc(c1)COCCCCI 34a_200012148704_100010173614 [0,2,0,0,0,0|2,0,0]=4 16123 B14R1.26 Brc1cncc(c1)COCCCCI 34a_200012148704_100000738771 [0,2,0,0,0,0|2,0,0]=4 16124 B14R1.26 C#CCCCCNc1cccc(c1)Br 34a_100000210019_100010269958 [0,2,0,0,0,0|1,0,1]=4 16125 B14R1.26 C#CCCCCNc1cccc(c1)C 2230a_100000188690_100010269958 [0,2,0,0,0,0|1,0,1]=4 16126 B14R1.26 C#CCCCCNc1cccc(c1)C 34a_100000188690_100010269958 [0,2,0,0,0,0|1,0,1]=4 16127 B14R1.26 C#CCCCCNc1cccc(c1)Cl 34a_100000185859_100010269958 [0,2,0,0,0,0|1,0,1]=4 16128 B14R1.26 C#CCCCCNc1cccc(c1)F 34a_100000210047_100010269958 [0,2,0,0,0,0|1,0,1]=4 16129 B14R1.26 C#CCCCCNc1cccc(c1)I 34a_100000211102_100010269958 [0,2,0,0,0,0|1,0,1]=4 16130 B14R1.26 C#CCCCCNc1cccc(c1)O 34a_100000210217_100010269958 [0,2,0,0,0,0|1,0,1]=4 16131 B14R1.26 C#CCCCCOc1cccc(c1)Br 34a_100000210342_100010269958 [0,2,0,0,0,0|1,0,1]=4 16132 B14R1.26 C#CCCCCOc1cccc(c1)Br 7a_100000210342_100010269958 [0,2,0,0,0,0|1,0,1]=4 16133 B14R1.26 C#CCCCCOc1cccc(c1)C 34a_100000210337_100010269958 [0,2,0,0,0,0|1,0,1]=4 16134 B14R1.26 C#CCCCCOc1cccc(c1)C 7a_100000210337_100010269958 [0,2,0,0,0,0|1,0,1]=4 16135 B14R1.26 C#CCCCCOc1cccc(c1)Cl 34a_100000210295_100010269958 [0,2,0,0,0,0|1,0,1]=4 16136 B14R1.26 C#CCCCCOc1cccc(c1)Cl 7a_100000210295_100010269958 [0,2,0,0,0,0|1,0,1]=4 16137 B14R1.26 C#CCCCCOc1cccc(c1)F 34a_100000210426_100010269958 [0,2,0,0,0,0|1,0,1]=4 16138 B14R1.26 C#CCCCCOc1cccc(c1)F 7a_100000210426_100010269958 [0,2,0,0,0,0|1,0,1]=4 16139 B14R1.26 C#CCCCCOc1cccc(c1)I 34a_100000211634_100010269958 [0,2,0,0,0,0|1,0,1]=4 16140 B14R1.26 C#CCCCCOc1cccc(c1)I 7a_100000211634_100010269958 [0,2,0,0,0,0|1,0,1]=4 16141 B14R1.26 C#CCCCCOc1cccc(c1)N 34a_100000210217_100010269958 [0,2,0,0,0,0|1,0,1]=4 16142 B14R1.26 C#CCCCCSc1cccc(c1)Br 62a_100000691529_100010269958 [0,2,0,0,0,0|1,0,1]=4 16143 B14R1.26 C#CCCCCSc1cccc(c1)Br 62a_100010269958_100000691529 [0,2,0,0,0,0|1,0,1]=4 16144 B14R1.26 C#CCCCCSc1cccc(c1)C 62a_100010269958_100011215228 [0,2,0,0,0,0|1,0,1]=4 16145 B14R1.26 C#CCCCCSc1cccc(c1)C 62a_100011215228_100010269958 [0,2,0,0,0,0|1,0,1]=4 16146 B14R1.26 C#CCCCCSc1cccc(c1)Cl 62a_100000699651_100010269958 [0,2,0,0,0,0|1,0,1]=4 16147 B14R1.26 C#CCCCCSc1cccc(c1)Cl 62a_100010269958_100000699651 [0,2,0,0,0,0|1,0,1]=4 16148 B14R1.26 C#CCCCCSc1cccc(c1)F 62a_100000685547_100010269958 [0,2,0,0,0,0|1,0,1]=4 16149 B14R1.26 C#CCCCCSc1cccc(c1)F 62a_100010269958_100000685547 [0,2,0,0,0,0|1,0,1]=4 16150 B14R1.26 C#CCCCCSc1cccc(c1)N 62a_100000210019_100010269958 [0,2,0,0,0,0|1,0,1]=4 16151 B14R1.26 C#CCCCCSc1cccc(c1)N 62a_100010269958_100000210019 [0,2,0,0,0,0|1,0,1]=4 16152 B14R1.26 C#CCCCCSc1cccc(c1)O 62a_100010269958_100000211634 [0,2,0,0,0,0|1,0,1]=4 16153 B14R1.26 C#CCCCCSc1cccc(c1)[S] 62a_100010269958_114929384022 [0,2,0,0,0,0|1,0,1]=4 16154 B14R1.26 C#CCCCCSc1cccc(c1)[S] 62a_114929384022_100010269958 [0,2,0,0,0,0|1,0,1]=4 16155 B14R1.26 C#CCCCNCc1cccc(c1)Br 207a_100000718082_100000210085 [0,2,0,0,0,0|1,0,1]=4 16156 B14R1.26 C#CCCCNCc1cccc(c1)Br 2230a_100000174977_100000731252 [0,2,0,0,0,0|1,0,1]=4 16157 B14R1.26 C#CCCCNCc1cccc(c1)Br 270004a_100000718082_100000210085 [0,2,0,0,0,0|1,0,1]=4 16158 B14R1.26 C#CCCCNCc1cccc(c1)Br 34a_100000174977_100000695029 [0,2,0,0,0,0|1,0,1]=4 16159 B14R1.26 C#CCCCNCc1cccc(c1)Br 34a_100000718082_100000698116 [0,2,0,0,0,0|1,0,1]=4 16160 B14R1.26 C#CCCCNCc1cccc(c1)C 207a_100000718082_100000211157 [0,2,0,0,0,0|1,0,1]=4 16161 B14R1.26 C#CCCCNCc1cccc(c1)C 2230a_100000185548_100000731252 [0,2,0,0,0,0|1,0,1]=4 16162 B14R1.26 C#CCCCNCc1cccc(c1)C 270004a_100000718082_100000211157 [0,2,0,0,0,0|1,0,1]=4 16163 B14R1.26 C#CCCCNCc1cccc(c1)C 34a_100000185548_100000695029 [0,2,0,0,0,0|1,0,1]=4 16164 B14R1.26 C#CCCCNCc1cccc(c1)C 34a_100000718082_100000211840 [0,2,0,0,0,0|1,0,1]=4 16165 B14R1.26 C#CCCCNCc1cccc(c1)Cl 207a_100000718082_100000210801 [0,2,0,0,0,0|1,0,1]=4 16166 B14R1.26 C#CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000731252 [0,2,0,0,0,0|1,0,1]=4 16167 B14R1.26 C#CCCCNCc1cccc(c1)Cl 270004a_100000718082_100000210801 [0,2,0,0,0,0|1,0,1]=4 16168 B14R1.26 C#CCCCNCc1cccc(c1)Cl 34a_100000174878_100000695029 [0,2,0,0,0,0|1,0,1]=4 16169 B14R1.26 C#CCCCNCc1cccc(c1)Cl 34a_100000718082_100000187163 [0,2,0,0,0,0|1,0,1]=4 16170 B14R1.26 C#CCCCNCc1cccc(c1)F 207a_100000718082_100000210812 [0,2,0,0,0,0|1,0,1]=4 16171 B14R1.26 C#CCCCNCc1cccc(c1)F 2230a_100000174948_100000731252 [0,2,0,0,0,0|1,0,1]=4 16172 B14R1.26 C#CCCCNCc1cccc(c1)F 270004a_100000718082_100000210812 [0,2,0,0,0,0|1,0,1]=4 16173 B14R1.26 C#CCCCNCc1cccc(c1)F 34a_100000174948_100000695029 [0,2,0,0,0,0|1,0,1]=4 16174 B14R1.26 C#CCCCNCc1cccc(c1)F 34a_100000718082_100000187166 [0,2,0,0,0,0|1,0,1]=4 16175 B14R1.26 C#CCCCNCc1cccc(c1)I 207a_100000718082_100000014684 [0,2,0,0,0,0|1,0,1]=4 16176 B14R1.26 C#CCCCNCc1cccc(c1)I 2230a_100000106179_100000731252 [0,2,0,0,0,0|1,0,1]=4 16177 B14R1.26 C#CCCCNCc1cccc(c1)I 270004a_100000718082_100000014684 [0,2,0,0,0,0|1,0,1]=4 16178 B14R1.26 C#CCCCNCc1cccc(c1)I 34a_100000106179_100000695029 [0,2,0,0,0,0|1,0,1]=4 16179 B14R1.26 C#CCCCNCc1cccc(c1)I 34a_100000718082_100011218688 [0,2,0,0,0,0|1,0,1]=4 16180 B14R1.26 C#CCCCNCc1cccc(c1)O 207a_100000718082_100000188321 [0,2,0,0,0,0|1,0,1]=4 16181 B14R1.26 C#CCCCNCc1cccc(c1)O 2230a_100000743036_100000731252 [0,2,0,0,0,0|1,0,1]=4 16182 B14R1.26 C#CCCCNCc1cccc(c1)O 270004a_100000718082_100000188321 [0,2,0,0,0,0|1,0,1]=4 16183 B14R1.26 C#CCCCNCc1cccc(c1)O 34a_100000718082_100011660834 [0,2,0,0,0,0|1,0,1]=4 16184 B14R1.26 C#CCCCNCc1cccc(c1)O 34a_100000743036_100000695029 [0,2,0,0,0,0|1,0,1]=4 16185 B14R1.26 C#CCCCOCc1cccc(c1)Br 34a_100000215630_100000698116 [0,2,0,0,0,0|1,0,1]=4 16186 B14R1.26 C#CCCCOCc1cccc(c1)Br 34a_100000687537_100000695029 [0,2,0,0,0,0|1,0,1]=4 16187 B14R1.26 C#CCCCOCc1cccc(c1)Br 7a_100000215630_100000211773 [0,2,0,0,0,0|1,0,1]=4 16188 B14R1.26 C#CCCCOCc1cccc(c1)Br 7a_100000687537_100011215417 [0,2,0,0,0,0|1,0,1]=4 16189 B14R1.26 C#CCCCOCc1cccc(c1)C 34a_100000215630_100000211840 [0,2,0,0,0,0|1,0,1]=4 16190 B14R1.26 C#CCCCOCc1cccc(c1)C 34a_100011217746_100000695029 [0,2,0,0,0,0|1,0,1]=4 16191 B14R1.26 C#CCCCOCc1cccc(c1)C 7a_100000215630_100000211840 [0,2,0,0,0,0|1,0,1]=4 16192 B14R1.26 C#CCCCOCc1cccc(c1)C 7a_100011217746_100011215417 [0,2,0,0,0,0|1,0,1]=4 16193 B14R1.26 C#CCCCOCc1cccc(c1)Cl 34a_100000215630_100000187163 [0,2,0,0,0,0|1,0,1]=4 16194 B14R1.26 C#CCCCOCc1cccc(c1)Cl 34a_100000241301_100000695029 [0,2,0,0,0,0|1,0,1]=4 16195 B14R1.26 C#CCCCOCc1cccc(c1)Cl 7a_100000215630_100000187163 [0,2,0,0,0,0|1,0,1]=4 16196 B14R1.26 C#CCCCOCc1cccc(c1)Cl 7a_100000241301_100011215417 [0,2,0,0,0,0|1,0,1]=4 16197 B14R1.26 C#CCCCOCc1cccc(c1)F 34a_100000210976_100000695029 [0,2,0,0,0,0|1,0,1]=4 16198 B14R1.26 C#CCCCOCc1cccc(c1)F 34a_100000215630_100000187166 [0,2,0,0,0,0|1,0,1]=4 16199 B14R1.26 C#CCCCOCc1cccc(c1)F 7a_100000210976_100011215417 [0,2,0,0,0,0|1,0,1]=4 16200 B14R1.26 C#CCCCOCc1cccc(c1)F 7a_100000215630_100000230114 [0,2,0,0,0,0|1,0,1]=4 16201 B14R1.26 C#CCCCOCc1cccc(c1)I 34a_100000215630_100011218688 [0,2,0,0,0,0|1,0,1]=4 16202 B14R1.26 C#CCCCOCc1cccc(c1)I 34a_100011215336_100000695029 [0,2,0,0,0,0|1,0,1]=4 16203 B14R1.26 C#CCCCOCc1cccc(c1)I 7a_100000215630_100011218688 [0,2,0,0,0,0|1,0,1]=4 16204 B14R1.26 C#CCCCOCc1cccc(c1)I 7a_100011215336_100011215417 [0,2,0,0,0,0|1,0,1]=4 16205 B14R1.26 C#CCCCOCc1cccc(c1)N 34a_100000211919_100000695029 [0,2,0,0,0,0|1,0,1]=4 16206 B14R1.26 C#CCCCOCc1cccc(c1)O 34a_100000215630_100011660834 [0,2,0,0,0,0|1,0,1]=4 16207 B14R1.26 C#CCCCOCc1cccc(c1)O 7a_100000215630_100000084143 [0,2,0,0,0,0|1,0,1]=4 16208 B14R1.26 C#CCCCSCc1cccc(c1)Br 62a_100000211773_100011215417 [0,2,0,0,0,0|1,0,1]=4 16209 B14R1.26 C#CCCCSCc1cccc(c1)Br 62a_100011215417_100000211773 [0,2,0,0,0,0|1,0,1]=4 16210 B14R1.26 C#CCCCSCc1cccc(c1)C 62a_100000211840_100011215417 [0,2,0,0,0,0|1,0,1]=4 16211 B14R1.26 C#CCCCSCc1cccc(c1)C 62a_100011215417_100000211840 [0,2,0,0,0,0|1,0,1]=4 16212 B14R1.26 C#CCCCSCc1cccc(c1)Cl 62a_100000187163_100011215417 [0,2,0,0,0,0|1,0,1]=4 16213 B14R1.26 C#CCCCSCc1cccc(c1)Cl 62a_100011215417_100000187163 [0,2,0,0,0,0|1,0,1]=4 16214 B14R1.26 C#CCCCSCc1cccc(c1)F 62a_100000230114_100011215417 [0,2,0,0,0,0|1,0,1]=4 16215 B14R1.26 C#CCCCSCc1cccc(c1)F 62a_100011215417_100000230114 [0,2,0,0,0,0|1,0,1]=4 16216 B14R1.26 C#CCCCSCc1cccc(c1)I 62a_100011215417_100011218688 [0,2,0,0,0,0|1,0,1]=4 16217 B14R1.26 C#CCCCSCc1cccc(c1)I 62a_100011218688_100011215417 [0,2,0,0,0,0|1,0,1]=4 16218 B14R1.26 C#CCCCSCc1cccc(c1)O 62a_100011215417_100011660834 [0,2,0,0,0,0|1,0,1]=4 16219 B14R1.26 C#CCCCSCc1cccc(c1)O 62a_100011660834_100011215417 [0,2,0,0,0,0|1,0,1]=4 16220 B14R1.26 C#CCCNCCc1cccc(c1)Br 2230a_100011207229_100000688953 [0,2,0,0,0,0|1,0,1]=4 16221 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100000755551_100011740638 [0,2,0,0,0,0|1,0,1]=4 16222 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100011207229_100000688953 [0,2,0,0,0,0|1,0,1]=4 16223 B14R1.26 C#CCCNCCc1cccc(c1)C 2230a_100000749837_100000688953 [0,2,0,0,0,0|1,0,1]=4 16224 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000749837_100000688953 [0,2,0,0,0,0|1,0,1]=4 16225 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000755551_100011713685 [0,2,0,0,0,0|1,0,1]=4 16226 B14R1.26 C#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000688953 [0,2,0,0,0,0|1,0,1]=4 16227 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000185263_100000688953 [0,2,0,0,0,0|1,0,1]=4 16228 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000755551_100011713710 [0,2,0,0,0,0|1,0,1]=4 16229 B14R1.26 C#CCCNCCc1cccc(c1)F 2230a_100000205154_100000688953 [0,2,0,0,0,0|1,0,1]=4 16230 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000205154_100000688953 [0,2,0,0,0,0|1,0,1]=4 16231 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000755551_100011217235 [0,2,0,0,0,0|1,0,1]=4 16232 B14R1.26 C#CCCNCCc1cccc(c1)O 2230a_100000747277_100000688953 [0,2,0,0,0,0|1,0,1]=4 16233 B14R1.26 C#CCCNCCc1cccc(c1)O 34a_100000747277_100000688953 [0,2,0,0,0,0|1,0,1]=4 16234 B14R1.26 C#CCCOCCc1cccc(c1)Br 34a_100011215631_100011740638 [0,2,0,0,0,0|1,0,1]=4 16235 B14R1.26 C#CCCOCCc1cccc(c1)Br 34a_100011217444_100000688953 [0,2,0,0,0,0|1,0,1]=4 16236 B14R1.26 C#CCCOCCc1cccc(c1)Br 7a_100011217444_100000688953 [0,2,0,0,0,0|1,0,1]=4 16237 B14R1.26 C#CCCOCCc1cccc(c1)C 34a_100011215631_100011713685 [0,2,0,0,0,0|1,0,1]=4 16238 B14R1.26 C#CCCOCCc1cccc(c1)C 34a_100011217157_100000688953 [0,2,0,0,0,0|1,0,1]=4 16239 B14R1.26 C#CCCOCCc1cccc(c1)C 7a_100011217157_100000688953 [0,2,0,0,0,0|1,0,1]=4 16240 B14R1.26 C#CCCOCCc1cccc(c1)Cl 34a_100000754733_100000688953 [0,2,0,0,0,0|1,0,1]=4 16241 B14R1.26 C#CCCOCCc1cccc(c1)Cl 34a_100011215631_100011713710 [0,2,0,0,0,0|1,0,1]=4 16242 B14R1.26 C#CCCOCCc1cccc(c1)Cl 7a_100000754733_100000688953 [0,2,0,0,0,0|1,0,1]=4 16243 B14R1.26 C#CCCOCCc1cccc(c1)F 34a_100000763591_100000688953 [0,2,0,0,0,0|1,0,1]=4 16244 B14R1.26 C#CCCOCCc1cccc(c1)F 34a_100011215631_100011217235 [0,2,0,0,0,0|1,0,1]=4 16245 B14R1.26 C#CCCOCCc1cccc(c1)F 7a_100000763591_100000688953 [0,2,0,0,0,0|1,0,1]=4 16246 B14R1.26 C#CCCOCCc1cccc(c1)N 34a_100011996697_100000688953 [0,2,0,0,0,0|1,0,1]=4 16247 B14R1.26 C#CCCSCCc1cccc(c1)Br 62a_100000688953_100011740638 [0,2,0,0,0,0|1,0,1]=4 16248 B14R1.26 C#CCCSCCc1cccc(c1)Br 62a_100011740638_100000688953 [0,2,0,0,0,0|1,0,1]=4 16249 B14R1.26 C#CCCSCCc1cccc(c1)C 62a_100000688953_100011713685 [0,2,0,0,0,0|1,0,1]=4 16250 B14R1.26 C#CCCSCCc1cccc(c1)C 62a_100011713685_100000688953 [0,2,0,0,0,0|1,0,1]=4 16251 B14R1.26 C#CCCSCCc1cccc(c1)Cl 62a_100000688953_100011713710 [0,2,0,0,0,0|1,0,1]=4 16252 B14R1.26 C#CCCSCCc1cccc(c1)Cl 62a_100011713710_100000688953 [0,2,0,0,0,0|1,0,1]=4 16253 B14R1.26 C#CCCSCCc1cccc(c1)F 62a_100000688953_100011217235 [0,2,0,0,0,0|1,0,1]=4 16254 B14R1.26 C#CCCSCCc1cccc(c1)F 62a_100011217235_100000688953 [0,2,0,0,0,0|1,0,1]=4 16255 B14R1.26 C#CCNCCCc1cccc(c1)Br 2230a_100000753791_100000038162 [0,2,0,0,0,0|1,0,1]=4 16256 B14R1.26 C#CCNCCCc1cccc(c1)Br 34a_100000212058_100011713683 [0,2,0,0,0,0|1,0,1]=4 16257 B14R1.26 C#CCNCCCc1cccc(c1)Br 34a_100000753791_100000184674 [0,2,0,0,0,0|1,0,1]=4 16258 B14R1.26 C#CCNCCCc1cccc(c1)C 2230a_103496528808_100000038162 [0,2,0,0,0,0|1,0,1]=4 16259 B14R1.26 C#CCNCCCc1cccc(c1)C 34a_103496528808_100000184674 [0,2,0,0,0,0|1,0,1]=4 16260 B14R1.26 C#CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000038162 [0,2,0,0,0,0|1,0,1]=4 16261 B14R1.26 C#CCNCCCc1cccc(c1)Cl 34a_100000704586_100000184674 [0,2,0,0,0,0|1,0,1]=4 16262 B14R1.26 C#CCNCCCc1cccc(c1)F 2230a_100000754185_100000038162 [0,2,0,0,0,0|1,0,1]=4 16263 B14R1.26 C#CCNCCCc1cccc(c1)F 34a_100000212058_200000698031 [0,2,0,0,0,0|1,0,1]=4 16264 B14R1.26 C#CCNCCCc1cccc(c1)F 34a_100000754185_100000184674 [0,2,0,0,0,0|1,0,1]=4 16265 B14R1.26 C#CCOCCCc1cccc(c1)Br 34a_100000210247_100011713683 [0,2,0,0,0,0|1,0,1]=4 16266 B14R1.26 C#CCOCCCc1cccc(c1)Br 34a_100011709248_100000184674 [0,2,0,0,0,0|1,0,1]=4 16267 B14R1.26 C#CCOCCCc1cccc(c1)Br 7a_100011709248_100000038162 [0,2,0,0,0,0|1,0,1]=4 16268 B14R1.26 C#CCOCCCc1cccc(c1)Cl 34a_100011709246_100000184674 [0,2,0,0,0,0|1,0,1]=4 16269 B14R1.26 C#CCOCCCc1cccc(c1)Cl 7a_100011709246_100000038162 [0,2,0,0,0,0|1,0,1]=4 16270 B14R1.26 C#CCOCCCc1cccc(c1)F 34a_100000210247_200000698031 [0,2,0,0,0,0|1,0,1]=4 16271 B14R1.26 C#CCOCCCc1cccc(c1)N 34a_200000698965_100000184674 [0,2,0,0,0,0|1,0,1]=4 16272 B14R1.26 C#CCOCCCc1cccc(c1)N 7a_200000698965_100000038162 [0,2,0,0,0,0|1,0,1]=4 16273 B14R1.26 C#CCSCCCc1cccc(c1)Br 62a_100000038162_100011713683 [0,2,0,0,0,0|1,0,1]=4 16274 B14R1.26 C#CCSCCCc1cccc(c1)F 62a_100000038162_200000698031 [0,2,0,0,0,0|1,0,1]=4 16275 B14R1.26 C=CCCCCNc1cccc(c1)Br 34a_100000210019_100011215482 [0,2,0,0,0,0|1,0,1]=4 16276 B14R1.26 C=CCCCCNc1cccc(c1)C 2230a_100000188690_100011215482 [0,2,0,0,0,0|1,0,1]=4 16277 B14R1.26 C=CCCCCNc1cccc(c1)C 34a_100000188690_100011215482 [0,2,0,0,0,0|1,0,1]=4 16278 B14R1.26 C=CCCCCNc1cccc(c1)Cl 34a_100000185859_100011215482 [0,2,0,0,0,0|1,0,1]=4 16279 B14R1.26 C=CCCCCNc1cccc(c1)F 34a_100000210047_100011215482 [0,2,0,0,0,0|1,0,1]=4 16280 B14R1.26 C=CCCCCNc1cccc(c1)I 34a_100000211102_100011215482 [0,2,0,0,0,0|1,0,1]=4 16281 B14R1.26 C=CCCCCNc1cccc(c1)O 34a_100000210217_100011215482 [0,2,0,0,0,0|1,0,1]=4 16282 B14R1.26 C=CCCCCOc1cccc(c1)Br 34a_100000210342_100011215482 [0,2,0,0,0,0|1,0,1]=4 16283 B14R1.26 C=CCCCCOc1cccc(c1)Br 7a_100000210342_100011215482 [0,2,0,0,0,0|1,0,1]=4 16284 B14R1.26 C=CCCCCOc1cccc(c1)C 34a_100000210337_100011215482 [0,2,0,0,0,0|1,0,1]=4 16285 B14R1.26 C=CCCCCOc1cccc(c1)C 7a_100000210337_100011215482 [0,2,0,0,0,0|1,0,1]=4 16286 B14R1.26 C=CCCCCOc1cccc(c1)Cl 34a_100000210295_100011215482 [0,2,0,0,0,0|1,0,1]=4 16287 B14R1.26 C=CCCCCOc1cccc(c1)Cl 7a_100000210295_100011215482 [0,2,0,0,0,0|1,0,1]=4 16288 B14R1.26 C=CCCCCOc1cccc(c1)F 34a_100000210426_100011215482 [0,2,0,0,0,0|1,0,1]=4 16289 B14R1.26 C=CCCCCOc1cccc(c1)F 7a_100000210426_100011215482 [0,2,0,0,0,0|1,0,1]=4 16290 B14R1.26 C=CCCCCOc1cccc(c1)I 34a_100000211634_100011215482 [0,2,0,0,0,0|1,0,1]=4 16291 B14R1.26 C=CCCCCOc1cccc(c1)I 7a_100000211634_100011215482 [0,2,0,0,0,0|1,0,1]=4 16292 B14R1.26 C=CCCCCOc1cccc(c1)N 34a_100000210217_100011215482 [0,2,0,0,0,0|1,0,1]=4 16293 B14R1.26 C=CCCCCSc1cccc(c1)Br 62a_100000691529_100011215482 [0,2,0,0,0,0|1,0,1]=4 16294 B14R1.26 C=CCCCCSc1cccc(c1)Br 62a_100011215482_100000691529 [0,2,0,0,0,0|1,0,1]=4 16295 B14R1.26 C=CCCCCSc1cccc(c1)C 62a_100011215228_100011215482 [0,2,0,0,0,0|1,0,1]=4 16296 B14R1.26 C=CCCCCSc1cccc(c1)C 62a_100011215482_100011215228 [0,2,0,0,0,0|1,0,1]=4 16297 B14R1.26 C=CCCCCSc1cccc(c1)Cl 62a_100000699651_100011215482 [0,2,0,0,0,0|1,0,1]=4 16298 B14R1.26 C=CCCCCSc1cccc(c1)Cl 62a_100011215482_100000699651 [0,2,0,0,0,0|1,0,1]=4 16299 B14R1.26 C=CCCCCSc1cccc(c1)F 62a_100000685547_100011215482 [0,2,0,0,0,0|1,0,1]=4 16300 B14R1.26 C=CCCCCSc1cccc(c1)F 62a_100011215482_100000685547 [0,2,0,0,0,0|1,0,1]=4 16301 B14R1.26 C=CCCCCSc1cccc(c1)N 62a_100000210019_100011215482 [0,2,0,0,0,0|1,0,1]=4 16302 B14R1.26 C=CCCCCSc1cccc(c1)N 62a_100011215482_100000210019 [0,2,0,0,0,0|1,0,1]=4 16303 B14R1.26 C=CCCCCSc1cccc(c1)O 62a_100011215482_100000211634 [0,2,0,0,0,0|1,0,1]=4 16304 B14R1.26 C=CCCCCSc1cccc(c1)[S] 62a_100011215482_114929384022 [0,2,0,0,0,0|1,0,1]=4 16305 B14R1.26 C=CCCCCSc1cccc(c1)[S] 62a_114929384022_100011215482 [0,2,0,0,0,0|1,0,1]=4 16306 B14R1.26 C=CCCCNCc1cccc(c1)Br 2230a_100000174977_100011713584 [0,2,0,0,0,0|1,0,1]=4 16307 B14R1.26 C=CCCCNCc1cccc(c1)Br 2230a_100000700776_100000698116 [0,2,0,0,0,0|1,0,1]=4 16308 B14R1.26 C=CCCCNCc1cccc(c1)Br 270004a_100000700776_100000210085 [0,2,0,0,0,0|1,0,1]=4 16309 B14R1.26 C=CCCCNCc1cccc(c1)Br 34a_100000174977_100000757094 [0,2,0,0,0,0|1,0,1]=4 16310 B14R1.26 C=CCCCNCc1cccc(c1)Br 34a_100000700776_100000698116 [0,2,0,0,0,0|1,0,1]=4 16311 B14R1.26 C=CCCCNCc1cccc(c1)C 2230a_100000185548_100011713584 [0,2,0,0,0,0|1,0,1]=4 16312 B14R1.26 C=CCCCNCc1cccc(c1)C 2230a_100000700776_100000211840 [0,2,0,0,0,0|1,0,1]=4 16313 B14R1.26 C=CCCCNCc1cccc(c1)C 270004a_100000700776_100000211157 [0,2,0,0,0,0|1,0,1]=4 16314 B14R1.26 C=CCCCNCc1cccc(c1)C 34a_100000185548_100000757094 [0,2,0,0,0,0|1,0,1]=4 16315 B14R1.26 C=CCCCNCc1cccc(c1)C 34a_100000700776_100000211840 [0,2,0,0,0,0|1,0,1]=4 16316 B14R1.26 C=CCCCNCc1cccc(c1)Cl 2230a_100000174878_100011713584 [0,2,0,0,0,0|1,0,1]=4 16317 B14R1.26 C=CCCCNCc1cccc(c1)Cl 2230a_100000700776_100000181238 [0,2,0,0,0,0|1,0,1]=4 16318 B14R1.26 C=CCCCNCc1cccc(c1)Cl 270004a_100000700776_100000210801 [0,2,0,0,0,0|1,0,1]=4 16319 B14R1.26 C=CCCCNCc1cccc(c1)Cl 34a_100000174878_100000757094 [0,2,0,0,0,0|1,0,1]=4 16320 B14R1.26 C=CCCCNCc1cccc(c1)Cl 34a_100000700776_100000187163 [0,2,0,0,0,0|1,0,1]=4 16321 B14R1.26 C=CCCCNCc1cccc(c1)F 2230a_100000174948_100011713584 [0,2,0,0,0,0|1,0,1]=4 16322 B14R1.26 C=CCCCNCc1cccc(c1)F 2230a_100000700776_100000230114 [0,2,0,0,0,0|1,0,1]=4 16323 B14R1.26 C=CCCCNCc1cccc(c1)F 270004a_100000700776_100000210812 [0,2,0,0,0,0|1,0,1]=4 16324 B14R1.26 C=CCCCNCc1cccc(c1)F 34a_100000174948_100000757094 [0,2,0,0,0,0|1,0,1]=4 16325 B14R1.26 C=CCCCNCc1cccc(c1)F 34a_100000700776_100000187166 [0,2,0,0,0,0|1,0,1]=4 16326 B14R1.26 C=CCCCNCc1cccc(c1)I 2230a_100000106179_100011713584 [0,2,0,0,0,0|1,0,1]=4 16327 B14R1.26 C=CCCCNCc1cccc(c1)I 2230a_100000700776_100011218688 [0,2,0,0,0,0|1,0,1]=4 16328 B14R1.26 C=CCCCNCc1cccc(c1)I 270004a_100000700776_100000014684 [0,2,0,0,0,0|1,0,1]=4 16329 B14R1.26 C=CCCCNCc1cccc(c1)I 34a_100000106179_100000757094 [0,2,0,0,0,0|1,0,1]=4 16330 B14R1.26 C=CCCCNCc1cccc(c1)I 34a_100000700776_100011218688 [0,2,0,0,0,0|1,0,1]=4 16331 B14R1.26 C=CCCCNCc1cccc(c1)O 2230a_100000700776_100011660834 [0,2,0,0,0,0|1,0,1]=4 16332 B14R1.26 C=CCCCNCc1cccc(c1)O 2230a_100000743036_100011713584 [0,2,0,0,0,0|1,0,1]=4 16333 B14R1.26 C=CCCCNCc1cccc(c1)O 270004a_100000700776_100000188321 [0,2,0,0,0,0|1,0,1]=4 16334 B14R1.26 C=CCCCNCc1cccc(c1)O 34a_100000700776_100011660834 [0,2,0,0,0,0|1,0,1]=4 16335 B14R1.26 C=CCCCNCc1cccc(c1)O 34a_100000743036_100000757094 [0,2,0,0,0,0|1,0,1]=4 16336 B14R1.26 C=CCCCOCc1cccc(c1)Br 34a_100000687537_100000757094 [0,2,0,0,0,0|1,0,1]=4 16337 B14R1.26 C=CCCCOCc1cccc(c1)Br 34a_100000758997_100000698116 [0,2,0,0,0,0|1,0,1]=4 16338 B14R1.26 C=CCCCOCc1cccc(c1)Br 7a_100000687537_100000757094 [0,2,0,0,0,0|1,0,1]=4 16339 B14R1.26 C=CCCCOCc1cccc(c1)Br 7a_100000758997_100000211773 [0,2,0,0,0,0|1,0,1]=4 16340 B14R1.26 C=CCCCOCc1cccc(c1)C 34a_100000758997_100000211840 [0,2,0,0,0,0|1,0,1]=4 16341 B14R1.26 C=CCCCOCc1cccc(c1)C 34a_100011217746_100000757094 [0,2,0,0,0,0|1,0,1]=4 16342 B14R1.26 C=CCCCOCc1cccc(c1)C 7a_100000758997_100000211840 [0,2,0,0,0,0|1,0,1]=4 16343 B14R1.26 C=CCCCOCc1cccc(c1)C 7a_100011217746_100000757094 [0,2,0,0,0,0|1,0,1]=4 16344 B14R1.26 C=CCCCOCc1cccc(c1)Cl 34a_100000241301_100000757094 [0,2,0,0,0,0|1,0,1]=4 16345 B14R1.26 C=CCCCOCc1cccc(c1)Cl 34a_100000758997_100000187163 [0,2,0,0,0,0|1,0,1]=4 16346 B14R1.26 C=CCCCOCc1cccc(c1)Cl 7a_100000241301_100000757094 [0,2,0,0,0,0|1,0,1]=4 16347 B14R1.26 C=CCCCOCc1cccc(c1)Cl 7a_100000758997_100000187163 [0,2,0,0,0,0|1,0,1]=4 16348 B14R1.26 C=CCCCOCc1cccc(c1)F 34a_100000210976_100000757094 [0,2,0,0,0,0|1,0,1]=4 16349 B14R1.26 C=CCCCOCc1cccc(c1)F 34a_100000758997_100000187166 [0,2,0,0,0,0|1,0,1]=4 16350 B14R1.26 C=CCCCOCc1cccc(c1)F 7a_100000210976_100000757094 [0,2,0,0,0,0|1,0,1]=4 16351 B14R1.26 C=CCCCOCc1cccc(c1)F 7a_100000758997_100000230114 [0,2,0,0,0,0|1,0,1]=4 16352 B14R1.26 C=CCCCOCc1cccc(c1)I 34a_100000758997_100011218688 [0,2,0,0,0,0|1,0,1]=4 16353 B14R1.26 C=CCCCOCc1cccc(c1)I 34a_100011215336_100000757094 [0,2,0,0,0,0|1,0,1]=4 16354 B14R1.26 C=CCCCOCc1cccc(c1)I 7a_100000758997_100011218688 [0,2,0,0,0,0|1,0,1]=4 16355 B14R1.26 C=CCCCOCc1cccc(c1)I 7a_100011215336_100000757094 [0,2,0,0,0,0|1,0,1]=4 16356 B14R1.26 C=CCCCOCc1cccc(c1)N 34a_100000211919_100000757094 [0,2,0,0,0,0|1,0,1]=4 16357 B14R1.26 C=CCCCOCc1cccc(c1)O 34a_100000758997_100011660834 [0,2,0,0,0,0|1,0,1]=4 16358 B14R1.26 C=CCCCOCc1cccc(c1)O 7a_100000758997_100000084143 [0,2,0,0,0,0|1,0,1]=4 16359 B14R1.26 C=CCCCSCc1cccc(c1)Br 62a_100000211773_100000757094 [0,2,0,0,0,0|1,0,1]=4 16360 B14R1.26 C=CCCCSCc1cccc(c1)Br 62a_100011713584_100000211773 [0,2,0,0,0,0|1,0,1]=4 16361 B14R1.26 C=CCCCSCc1cccc(c1)C 62a_100000211840_100000757094 [0,2,0,0,0,0|1,0,1]=4 16362 B14R1.26 C=CCCCSCc1cccc(c1)C 62a_100011713584_100000211840 [0,2,0,0,0,0|1,0,1]=4 16363 B14R1.26 C=CCCCSCc1cccc(c1)Cl 62a_100000187163_100000757094 [0,2,0,0,0,0|1,0,1]=4 16364 B14R1.26 C=CCCCSCc1cccc(c1)Cl 62a_100011713584_100000187163 [0,2,0,0,0,0|1,0,1]=4 16365 B14R1.26 C=CCCCSCc1cccc(c1)F 62a_100000230114_100000757094 [0,2,0,0,0,0|1,0,1]=4 16366 B14R1.26 C=CCCCSCc1cccc(c1)F 62a_100011713584_100000230114 [0,2,0,0,0,0|1,0,1]=4 16367 B14R1.26 C=CCCCSCc1cccc(c1)I 62a_100011218688_100000757094 [0,2,0,0,0,0|1,0,1]=4 16368 B14R1.26 C=CCCCSCc1cccc(c1)I 62a_100011713584_100011218688 [0,2,0,0,0,0|1,0,1]=4 16369 B14R1.26 C=CCCCSCc1cccc(c1)O 62a_100011660834_100000757094 [0,2,0,0,0,0|1,0,1]=4 16370 B14R1.26 C=CCCCSCc1cccc(c1)O 62a_100011713584_100011660834 [0,2,0,0,0,0|1,0,1]=4 16371 B14R1.26 C=CCCNCCc1cccc(c1)Br 2230a_100011207229_100000754431 [0,2,0,0,0,0|1,0,1]=4 16372 B14R1.26 C=CCCNCCc1cccc(c1)Br 2230a_100015191253_100011740638 [0,2,0,0,0,0|1,0,1]=4 16373 B14R1.26 C=CCCNCCc1cccc(c1)Br 34a_100011207229_100000754431 [0,2,0,0,0,0|1,0,1]=4 16374 B14R1.26 C=CCCNCCc1cccc(c1)C 2230a_100000749837_100000754431 [0,2,0,0,0,0|1,0,1]=4 16375 B14R1.26 C=CCCNCCc1cccc(c1)C 2230a_100015191253_100011713685 [0,2,0,0,0,0|1,0,1]=4 16376 B14R1.26 C=CCCNCCc1cccc(c1)C 34a_100000749837_100000754431 [0,2,0,0,0,0|1,0,1]=4 16377 B14R1.26 C=CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000754431 [0,2,0,0,0,0|1,0,1]=4 16378 B14R1.26 C=CCCNCCc1cccc(c1)Cl 2230a_100015191253_100011713710 [0,2,0,0,0,0|1,0,1]=4 16379 B14R1.26 C=CCCNCCc1cccc(c1)Cl 34a_100000185263_100000754431 [0,2,0,0,0,0|1,0,1]=4 16380 B14R1.26 C=CCCNCCc1cccc(c1)F 2230a_100000205154_100000754431 [0,2,0,0,0,0|1,0,1]=4 16381 B14R1.26 C=CCCNCCc1cccc(c1)F 2230a_100015191253_100011217235 [0,2,0,0,0,0|1,0,1]=4 16382 B14R1.26 C=CCCNCCc1cccc(c1)F 34a_100000205154_100000754431 [0,2,0,0,0,0|1,0,1]=4 16383 B14R1.26 C=CCCNCCc1cccc(c1)O 2230a_100000747277_100000754431 [0,2,0,0,0,0|1,0,1]=4 16384 B14R1.26 C=CCCNCCc1cccc(c1)O 34a_100000747277_100000754431 [0,2,0,0,0,0|1,0,1]=4 16385 B14R1.26 C=CCCOCCc1cccc(c1)Br 34a_100011205117_100011740638 [0,2,0,0,0,0|1,0,1]=4 16386 B14R1.26 C=CCCOCCc1cccc(c1)Br 34a_100011217444_100000754431 [0,2,0,0,0,0|1,0,1]=4 16387 B14R1.26 C=CCCOCCc1cccc(c1)Br 7a_100011217444_100000754431 [0,2,0,0,0,0|1,0,1]=4 16388 B14R1.26 C=CCCOCCc1cccc(c1)C 34a_100011205117_100011713685 [0,2,0,0,0,0|1,0,1]=4 16389 B14R1.26 C=CCCOCCc1cccc(c1)C 34a_100011217157_100000754431 [0,2,0,0,0,0|1,0,1]=4 16390 B14R1.26 C=CCCOCCc1cccc(c1)C 7a_100011217157_100000754431 [0,2,0,0,0,0|1,0,1]=4 16391 B14R1.26 C=CCCOCCc1cccc(c1)Cl 34a_100000754733_100000754431 [0,2,0,0,0,0|1,0,1]=4 16392 B14R1.26 C=CCCOCCc1cccc(c1)Cl 34a_100011205117_100011713710 [0,2,0,0,0,0|1,0,1]=4 16393 B14R1.26 C=CCCOCCc1cccc(c1)Cl 7a_100000754733_100000754431 [0,2,0,0,0,0|1,0,1]=4 16394 B14R1.26 C=CCCOCCc1cccc(c1)F 34a_100000763591_100000754431 [0,2,0,0,0,0|1,0,1]=4 16395 B14R1.26 C=CCCOCCc1cccc(c1)F 34a_100011205117_100011217235 [0,2,0,0,0,0|1,0,1]=4 16396 B14R1.26 C=CCCOCCc1cccc(c1)F 7a_100000763591_100000754431 [0,2,0,0,0,0|1,0,1]=4 16397 B14R1.26 C=CCCOCCc1cccc(c1)N 34a_100011996697_100000754431 [0,2,0,0,0,0|1,0,1]=4 16398 B14R1.26 C=CCCSCCc1cccc(c1)Br 62a_100000754431_100011740638 [0,2,0,0,0,0|1,0,1]=4 16399 B14R1.26 C=CCCSCCc1cccc(c1)Br 62a_100011740638_100000754431 [0,2,0,0,0,0|1,0,1]=4 16400 B14R1.26 C=CCCSCCc1cccc(c1)C 62a_100000754431_100011713685 [0,2,0,0,0,0|1,0,1]=4 16401 B14R1.26 C=CCCSCCc1cccc(c1)C 62a_100011713685_100000754431 [0,2,0,0,0,0|1,0,1]=4 16402 B14R1.26 C=CCCSCCc1cccc(c1)Cl 62a_100000754431_100011713710 [0,2,0,0,0,0|1,0,1]=4 16403 B14R1.26 C=CCCSCCc1cccc(c1)Cl 62a_100011713710_100000754431 [0,2,0,0,0,0|1,0,1]=4 16404 B14R1.26 C=CCCSCCc1cccc(c1)F 62a_100000754431_100011217235 [0,2,0,0,0,0|1,0,1]=4 16405 B14R1.26 C=CCCSCCc1cccc(c1)F 62a_100011217235_100000754431 [0,2,0,0,0,0|1,0,1]=4 16406 B14R1.26 C=CCNCCCc1cccc(c1)Br 2230a_100000753791_100000210623 [0,2,0,0,0,0|1,0,1]=4 16407 B14R1.26 C=CCNCCCc1cccc(c1)Br 2230a_100020586998_100011713683 [0,2,0,0,0,0|1,0,1]=4 16408 B14R1.26 C=CCNCCCc1cccc(c1)Br 34a_100000753791_100015514636 [0,2,0,0,0,0|1,0,1]=4 16409 B14R1.26 C=CCNCCCc1cccc(c1)C 2230a_103496528808_100000210623 [0,2,0,0,0,0|1,0,1]=4 16410 B14R1.26 C=CCNCCCc1cccc(c1)C 34a_103496528808_100015514636 [0,2,0,0,0,0|1,0,1]=4 16411 B14R1.26 C=CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210623 [0,2,0,0,0,0|1,0,1]=4 16412 B14R1.26 C=CCNCCCc1cccc(c1)Cl 34a_100000704586_100015514636 [0,2,0,0,0,0|1,0,1]=4 16413 B14R1.26 C=CCNCCCc1cccc(c1)F 2230a_100000754185_100000210623 [0,2,0,0,0,0|1,0,1]=4 16414 B14R1.26 C=CCNCCCc1cccc(c1)F 2230a_100020586998_200000698031 [0,2,0,0,0,0|1,0,1]=4 16415 B14R1.26 C=CCNCCCc1cccc(c1)F 34a_100000754185_100015514636 [0,2,0,0,0,0|1,0,1]=4 16416 B14R1.26 C=CCOCCCc1cccc(c1)Br 34a_100011709248_100015514636 [0,2,0,0,0,0|1,0,1]=4 16417 B14R1.26 C=CCOCCCc1cccc(c1)Br 34a_200000210373_100011713683 [0,2,0,0,0,0|1,0,1]=4 16418 B14R1.26 C=CCOCCCc1cccc(c1)Br 7a_100011709248_100015514636 [0,2,0,0,0,0|1,0,1]=4 16419 B14R1.26 C=CCOCCCc1cccc(c1)Cl 34a_100011709246_100015514636 [0,2,0,0,0,0|1,0,1]=4 16420 B14R1.26 C=CCOCCCc1cccc(c1)Cl 7a_100011709246_100015514636 [0,2,0,0,0,0|1,0,1]=4 16421 B14R1.26 C=CCOCCCc1cccc(c1)F 34a_200000210373_200000698031 [0,2,0,0,0,0|1,0,1]=4 16422 B14R1.26 C=CCOCCCc1cccc(c1)N 34a_200000698965_100015514636 [0,2,0,0,0,0|1,0,1]=4 16423 B14R1.26 C=CCOCCCc1cccc(c1)N 7a_200000698965_100015514636 [0,2,0,0,0,0|1,0,1]=4 16424 B14R1.26 C=CCSCCCc1cccc(c1)Br 62a_100000210623_100011713683 [0,2,0,0,0,0|1,0,1]=4 16425 B14R1.26 C=CCSCCCc1cccc(c1)Br 62a_100011713683_100000210623 [0,2,0,0,0,0|1,0,1]=4 16426 B14R1.26 C=CCSCCCc1cccc(c1)F 62a_100000210623_200000698031 [0,2,0,0,0,0|1,0,1]=4 16427 B14R1.26 C=CCSCCCc1cccc(c1)F 62a_200000698031_100000210623 [0,2,0,0,0,0|1,0,1]=4 16428 B14R1.26 CCCCCC=Cc1cccc(c1)Br 271570a_100000062253_100000691529 [0,2,0,0,0,0|1,0,1]=4 16429 B14R1.26 CCCCCC=Cc1cccc(c1)C 271570a_100000062253_100011215228 [0,2,0,0,0,0|1,0,1]=4 16430 B14R1.26 CCCCCC=Cc1cccc(c1)Cl 271570a_100000062253_100000699651 [0,2,0,0,0,0|1,0,1]=4 16431 B14R1.26 CCCCCC=Cc1cccc(c1)F 271570a_100000062253_100000685547 [0,2,0,0,0,0|1,0,1]=4 16432 B14R1.26 CCCCCC=Cc1cccc(c1)N 271570a_100000062253_100000210019 [0,2,0,0,0,0|1,0,1]=4 16433 B14R1.26 CCCCCC=Cc1cccc(c1)O 271570a_100000062253_100000211634 [0,2,0,0,0,0|1,0,1]=4 16434 B14R1.26 CCCCCC=Cc1cccc(c1)[S] 271570a_100000062253_114929384022 [0,2,0,0,0,0|1,0,1]=4 16435 B14R1.26 CCCCCCNc1cc(ccn1)F 27a_100000210581_100000764206 [0,2,0,0,0,0|2,0,0]=4 16436 B14R1.26 CCCCCCNc1cc[nH]c(=O)c1 27a_100000210581_100000061649 [0,2,0,0,0,0|2,0,0]=4 16437 B14R1.26 CCCCCCNc1cccc(c1)Br 34a_100000210019_100000210314 [0,2,0,0,0,0|1,0,0]=3 16438 B14R1.26 CCCCCCNc1cccc(c1)C 2230a_100000188690_100000210314 [0,2,0,0,0,0|1,0,0]=3 16439 B14R1.26 CCCCCCNc1cccc(c1)C 34a_100000188690_100000210314 [0,2,0,0,0,0|1,0,0]=3 16440 B14R1.26 CCCCCCNc1cccc(c1)Cl 34a_100000185859_100000210314 [0,2,0,0,0,0|1,0,0]=3 16441 B14R1.26 CCCCCCNc1cccc(c1)F 34a_100000210047_100000210314 [0,2,0,0,0,0|1,0,0]=3 16442 B14R1.26 CCCCCCNc1cccc(c1)I 34a_100000211102_100000210314 [0,2,0,0,0,0|1,0,0]=3 16443 B14R1.26 CCCCCCNc1cccc(c1)O 34a_100000210217_100000210314 [0,2,0,0,0,0|1,0,0]=3 16444 B14R1.26 CCCCCCNc1cccc(n1)F 27a_100000210581_100009815982 [0,2,0,0,0,0|2,0,0]=4 16445 B14R1.26 CCCCCCNc1ccnc(c1)C 27a_100000210581_100000758586 [0,2,0,0,0,0|2,0,0]=4 16446 B14R1.26 CCCCCCNc1ccnc(c1)F 27a_100000210581_100009816116 [0,2,0,0,0,0|2,0,0]=4 16447 B14R1.26 CCCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000210314 [0,2,0,0,0,0|2,0,0]=4 16448 B14R1.26 CCCCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210314 [0,2,0,0,0,0|2,0,0]=4 16449 B14R1.26 CCCCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210314 [0,2,0,0,0,0|2,0,0]=4 16450 B14R1.26 CCCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000210314 [0,2,0,0,0,0|2,0,0]=4 16451 B14R1.26 CCCCCCOc1cccc(c1)Br 34a_100000210342_100000210314 [0,2,0,0,0,0|1,0,0]=3 16452 B14R1.26 CCCCCCOc1cccc(c1)Br 7a_100000210342_100000210314 [0,2,0,0,0,0|1,0,0]=3 16453 B14R1.26 CCCCCCOc1cccc(c1)C 34a_100000210337_100000210314 [0,2,0,0,0,0|1,0,0]=3 16454 B14R1.26 CCCCCCOc1cccc(c1)C 7a_100000210337_100000210314 [0,2,0,0,0,0|1,0,0]=3 16455 B14R1.26 CCCCCCOc1cccc(c1)Cl 34a_100000210295_100000210314 [0,2,0,0,0,0|1,0,0]=3 16456 B14R1.26 CCCCCCOc1cccc(c1)Cl 7a_100000210295_100000210314 [0,2,0,0,0,0|1,0,0]=3 16457 B14R1.26 CCCCCCOc1cccc(c1)F 34a_100000210426_100000210314 [0,2,0,0,0,0|1,0,0]=3 16458 B14R1.26 CCCCCCOc1cccc(c1)F 7a_100000210426_100000210314 [0,2,0,0,0,0|1,0,0]=3 16459 B14R1.26 CCCCCCOc1cccc(c1)I 34a_100000211634_100000210314 [0,2,0,0,0,0|1,0,0]=3 16460 B14R1.26 CCCCCCOc1cccc(c1)I 7a_100000211634_100000210314 [0,2,0,0,0,0|1,0,0]=3 16461 B14R1.26 CCCCCCOc1cccc(c1)N 34a_100000210217_100000210314 [0,2,0,0,0,0|1,0,0]=3 16462 B14R1.26 CCCCCCOc1cccc(n1)F 34a_100011432558_100000210314 [0,2,0,0,0,0|2,0,0]=4 16463 B14R1.26 CCCCCCOc1ccnc(c1)C 34a_100000688365_100000210314 [0,2,0,0,0,0|2,0,0]=4 16464 B14R1.26 CCCCCCOc1ccnc(c1)Cl 34a_100000762945_100000210314 [0,2,0,0,0,0|2,0,0]=4 16465 B14R1.26 CCCCCCOc1ccnc(c1)F 34a_100000732698_100000210314 [0,2,0,0,0,0|2,0,0]=4 16466 B14R1.26 CCCCCCOc1ccnc(c1)N 34a_100011834064_100000210314 [0,2,0,0,0,0|2,0,0]=4 16467 B14R1.26 CCCCCCOc1cncc(c1)Br 34a_100000754920_100000210314 [0,2,0,0,0,0|2,0,0]=4 16468 B14R1.26 CCCCCCOc1cncc(c1)Br 7a_100000754920_100000210314 [0,2,0,0,0,0|2,0,0]=4 16469 B14R1.26 CCCCCCOc1cncc(c1)C 34a_100011830280_100000210314 [0,2,0,0,0,0|2,0,0]=4 16470 B14R1.26 CCCCCCOc1cncc(c1)C 7a_100011830280_100000210314 [0,2,0,0,0,0|2,0,0]=4 16471 B14R1.26 CCCCCCOc1cncc(c1)Cl 7a_100000032511_100000210314 [0,2,0,0,0,0|2,0,0]=4 16472 B14R1.26 CCCCCCOc1cncc(c1)F 34a_100011830296_100000210314 [0,2,0,0,0,0|2,0,0]=4 16473 B14R1.26 CCCCCCOc1cncc(c1)F 7a_100011830296_100000210314 [0,2,0,0,0,0|2,0,0]=4 16474 B14R1.26 CCCCCCOc1cncc(c1)N 34a_100011997051_100000210314 [0,2,0,0,0,0|2,0,0]=4 16475 B14R1.26 CCCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000210757 [0,2,0,0,0,0|2,0,0]=4 16476 B14R1.26 CCCCCCSc1cc(ccn1)C 62a_100000210314_100000750283 [0,2,0,0,0,0|2,0,0]=4 16477 B14R1.26 CCCCCCSc1cc(ccn1)C 62a_100000750283_100000210757 [0,2,0,0,0,0|2,0,0]=4 16478 B14R1.26 CCCCCCSc1cc(ccn1)Cl 62a_100000210314_100010167805 [0,2,0,0,0,0|2,0,0]=4 16479 B14R1.26 CCCCCCSc1cc(ccn1)Cl 62a_100010167805_100000210757 [0,2,0,0,0,0|2,0,0]=4 16480 B14R1.26 CCCCCCSc1cc(ccn1)F 62a_100000210314_100000764206 [0,2,0,0,0,0|2,0,0]=4 16481 B14R1.26 CCCCCCSc1cc(ccn1)F 62a_100000764206_100000210757 [0,2,0,0,0,0|2,0,0]=4 16482 B14R1.26 CCCCCCSc1cc(ccn1)N 62a_100000210314_100009814236 [0,2,0,0,0,0|2,0,0]=4 16483 B14R1.26 CCCCCCSc1cc(ccn1)N 62a_100009814236_100000210757 [0,2,0,0,0,0|2,0,0]=4 16484 B14R1.26 CCCCCCSc1cc(ccn1)O 62a_100000210314_100000762945 [0,2,0,0,0,0|2,0,0]=4 16485 B14R1.26 CCCCCCSc1cc[nH]c(=O)c1 62a_100000210314_100009816521 [0,2,0,0,0,0|2,0,0]=4 16486 B14R1.26 CCCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000210757 [0,2,0,0,0,0|2,0,0]=4 16487 B14R1.26 CCCCCCSc1ccc[n+](c1)C 62a_100000210314_100009996589 [0,2,0,0,0,0|2,0,0]=4 16488 B14R1.26 CCCCCCSc1ccc[n+](c1)C 62a_100009996589_100000210757 [0,2,0,0,0,0|2,0,0]=4 16489 B14R1.26 CCCCCCSc1ccc[n+](c1)[O-] 62a_100000210314_100009815978 [0,2,0,0,0,0|2,0,0]=4 16490 B14R1.26 CCCCCCSc1cccc(=O)[nH]1 62a_100000210314_100000752884 [0,2,0,0,0,0|2,0,0]=4 16491 B14R1.26 CCCCCCSc1cccc(c1)Br 62a_100000210314_100000691529 [0,2,0,0,0,0|1,0,0]=3 16492 B14R1.26 CCCCCCSc1cccc(c1)Br 62a_100000691529_100000210757 [0,2,0,0,0,0|1,0,0]=3 16493 B14R1.26 CCCCCCSc1cccc(c1)C 62a_100000210314_100011215228 [0,2,0,0,0,0|1,0,0]=3 16494 B14R1.26 CCCCCCSc1cccc(c1)C 62a_100011215228_100000210757 [0,2,0,0,0,0|1,0,0]=3 16495 B14R1.26 CCCCCCSc1cccc(c1)Cl 62a_100000210314_100000699651 [0,2,0,0,0,0|1,0,0]=3 16496 B14R1.26 CCCCCCSc1cccc(c1)Cl 62a_100000699651_100000210757 [0,2,0,0,0,0|1,0,0]=3 16497 B14R1.26 CCCCCCSc1cccc(c1)F 62a_100000210314_100000685547 [0,2,0,0,0,0|1,0,0]=3 16498 B14R1.26 CCCCCCSc1cccc(c1)F 62a_100000685547_100000210757 [0,2,0,0,0,0|1,0,0]=3 16499 B14R1.26 CCCCCCSc1cccc(c1)N 62a_100000210019_100000210757 [0,2,0,0,0,0|1,0,0]=3 16500 B14R1.26 CCCCCCSc1cccc(c1)N 62a_100000210314_100000210019 [0,2,0,0,0,0|1,0,0]=3 16501 B14R1.26 CCCCCCSc1cccc(c1)O 62a_100000210314_100000211634 [0,2,0,0,0,0|1,0,0]=3 16502 B14R1.26 CCCCCCSc1cccc(c1)[S] 62a_100000210314_114929384022 [0,2,0,0,0,0|1,0,0]=3 16503 B14R1.26 CCCCCCSc1cccc(c1)[S] 62a_114929384022_100000210757 [0,2,0,0,0,0|1,0,0]=3 16504 B14R1.26 CCCCCCSc1cccc(n1)Br 62a_100000210314_100000684672 [0,2,0,0,0,0|2,0,0]=4 16505 B14R1.26 CCCCCCSc1cccc(n1)Br 62a_100000684672_100000210757 [0,2,0,0,0,0|2,0,0]=4 16506 B14R1.26 CCCCCCSc1cccc(n1)C 62a_100000210314_100000742759 [0,2,0,0,0,0|2,0,0]=4 16507 B14R1.26 CCCCCCSc1cccc(n1)C 62a_100000742759_100000210757 [0,2,0,0,0,0|2,0,0]=4 16508 B14R1.26 CCCCCCSc1cccc(n1)Cl 62a_100000051397_100000210757 [0,2,0,0,0,0|2,0,0]=4 16509 B14R1.26 CCCCCCSc1cccc(n1)Cl 62a_100000210314_100000051397 [0,2,0,0,0,0|2,0,0]=4 16510 B14R1.26 CCCCCCSc1cccc(n1)F 62a_100000210314_100009815982 [0,2,0,0,0,0|2,0,0]=4 16511 B14R1.26 CCCCCCSc1cccc(n1)F 62a_100009815982_100000210757 [0,2,0,0,0,0|2,0,0]=4 16512 B14R1.26 CCCCCCSc1cccc(n1)N 62a_100000210314_100000740741 [0,2,0,0,0,0|2,0,0]=4 16513 B14R1.26 CCCCCCSc1cccc(n1)N 62a_100000740741_100000210757 [0,2,0,0,0,0|2,0,0]=4 16514 B14R1.26 CCCCCCSc1ccnc(c1)Br 62a_100000210314_100009814637 [0,2,0,0,0,0|2,0,0]=4 16515 B14R1.26 CCCCCCSc1ccnc(c1)Br 62a_100009814637_100000210757 [0,2,0,0,0,0|2,0,0]=4 16516 B14R1.26 CCCCCCSc1ccnc(c1)C 62a_100000210314_100000758586 [0,2,0,0,0,0|2,0,0]=4 16517 B14R1.26 CCCCCCSc1ccnc(c1)C 62a_100000758586_100000210757 [0,2,0,0,0,0|2,0,0]=4 16518 B14R1.26 CCCCCCSc1ccnc(c1)Cl 62a_100000035001_100000210757 [0,2,0,0,0,0|2,0,0]=4 16519 B14R1.26 CCCCCCSc1ccnc(c1)Cl 62a_100000210314_100000035001 [0,2,0,0,0,0|2,0,0]=4 16520 B14R1.26 CCCCCCSc1ccnc(c1)F 62a_100000210314_100009816116 [0,2,0,0,0,0|2,0,0]=4 16521 B14R1.26 CCCCCCSc1ccnc(c1)F 62a_100009816116_100000210757 [0,2,0,0,0,0|2,0,0]=4 16522 B14R1.26 CCCCCCSc1ccnc(c1)N 62a_100000049665_100000210757 [0,2,0,0,0,0|2,0,0]=4 16523 B14R1.26 CCCCCCSc1ccnc(c1)N 62a_100000210314_100000049665 [0,2,0,0,0,0|2,0,0]=4 16524 B14R1.26 CCCCCCSc1cncc(c1)Br 62a_100000210314_100000728054 [0,2,0,0,0,0|2,0,0]=4 16525 B14R1.26 CCCCCCSc1cncc(c1)Br 62a_100000728054_100000210757 [0,2,0,0,0,0|2,0,0]=4 16526 B14R1.26 CCCCCCSc1cncc(c1)C 62a_100000210314_100000760492 [0,2,0,0,0,0|2,0,0]=4 16527 B14R1.26 CCCCCCSc1cncc(c1)C 62a_100000760492_100000210757 [0,2,0,0,0,0|2,0,0]=4 16528 B14R1.26 CCCCCCSc1cncc(c1)Cl 62a_100000049639_100000210757 [0,2,0,0,0,0|2,0,0]=4 16529 B14R1.26 CCCCCCSc1cncc(c1)Cl 62a_100000210314_100000049639 [0,2,0,0,0,0|2,0,0]=4 16530 B14R1.26 CCCCCCSc1cncc(c1)F 62a_100000210314_100000744099 [0,2,0,0,0,0|2,0,0]=4 16531 B14R1.26 CCCCCCSc1cncc(c1)F 62a_100000744099_100000210757 [0,2,0,0,0,0|2,0,0]=4 16532 B14R1.26 CCCCCCSc1cncc(c1)N 62a_100000210314_100000687067 [0,2,0,0,0,0|2,0,0]=4 16533 B14R1.26 CCCCCCSc1cncc(c1)N 62a_100000687067_100000210757 [0,2,0,0,0,0|2,0,0]=4 16534 B14R1.26 CCCCCCSc1cncc(c1)O 62a_100000210314_100000754920 [0,2,0,0,0,0|2,0,0]=4 16535 B14R1.26 CCCCCCSc1cncc(c1)O 62a_100000754920_100000210757 [0,2,0,0,0,0|2,0,0]=4 16536 B14R1.26 CCCCCNCc1cc(ccn1)Br 2230a_100000209983_100010173614 [0,2,0,0,0,0|2,0,0]=4 16537 B14R1.26 CCCCCNCc1cc(ccn1)Br 270004a_100000209983_100009818557 [0,2,0,0,0,0|2,0,0]=4 16538 B14R1.26 CCCCCNCc1cc(ccn1)C 207a_100000209983_100011361488 [0,2,0,0,0,0|2,0,0]=4 16539 B14R1.26 CCCCCNCc1cc(ccn1)C 2230a_100000209983_100000718516 [0,2,0,0,0,0|2,0,0]=4 16540 B14R1.26 CCCCCNCc1cc(ccn1)C 270004a_100000209983_100011361488 [0,2,0,0,0,0|2,0,0]=4 16541 B14R1.26 CCCCCNCc1cc(ccn1)Cl 2230a_100000209983_100016988179 [0,2,0,0,0,0|2,0,0]=4 16542 B14R1.26 CCCCCNCc1cc(ccn1)Cl 270004a_100000209983_100011998288 [0,2,0,0,0,0|2,0,0]=4 16543 B14R1.26 CCCCCNCc1cccc(=O)[nH]1 207a_100000209983_100011935257 [0,2,0,0,0,0|2,0,0]=4 16544 B14R1.26 CCCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210326 [0,2,0,0,0,0|2,0,0]=4 16545 B14R1.26 CCCCCNCc1cccc(c1)Br 207a_100000209983_100000210085 [0,2,0,0,0,0|1,0,0]=3 16546 B14R1.26 CCCCCNCc1cccc(c1)Br 2230a_100000174977_100000210326 [0,2,0,0,0,0|1,0,0]=3 16547 B14R1.26 CCCCCNCc1cccc(c1)Br 2230a_100000209983_100000698116 [0,2,0,0,0,0|1,0,0]=3 16548 B14R1.26 CCCCCNCc1cccc(c1)Br 270004a_100000209983_100000210085 [0,2,0,0,0,0|1,0,0]=3 16549 B14R1.26 CCCCCNCc1cccc(c1)Br 34a_100000174977_100000718602 [0,2,0,0,0,0|1,0,0]=3 16550 B14R1.26 CCCCCNCc1cccc(c1)C 207a_100000209983_100000211157 [0,2,0,0,0,0|1,0,0]=3 16551 B14R1.26 CCCCCNCc1cccc(c1)C 2230a_100000185548_100000210326 [0,2,0,0,0,0|1,0,0]=3 16552 B14R1.26 CCCCCNCc1cccc(c1)C 2230a_100000209983_100000211840 [0,2,0,0,0,0|1,0,0]=3 16553 B14R1.26 CCCCCNCc1cccc(c1)C 270004a_100000209983_100000211157 [0,2,0,0,0,0|1,0,0]=3 16554 B14R1.26 CCCCCNCc1cccc(c1)C 34a_100000185548_100000718602 [0,2,0,0,0,0|1,0,0]=3 16555 B14R1.26 CCCCCNCc1cccc(c1)Cl 207a_100000209983_100000210801 [0,2,0,0,0,0|1,0,0]=3 16556 B14R1.26 CCCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210326 [0,2,0,0,0,0|1,0,0]=3 16557 B14R1.26 CCCCCNCc1cccc(c1)Cl 2230a_100000209983_100000181238 [0,2,0,0,0,0|1,0,0]=3 16558 B14R1.26 CCCCCNCc1cccc(c1)Cl 270004a_100000209983_100000210801 [0,2,0,0,0,0|1,0,0]=3 16559 B14R1.26 CCCCCNCc1cccc(c1)Cl 34a_100000174878_100000718602 [0,2,0,0,0,0|1,0,0]=3 16560 B14R1.26 CCCCCNCc1cccc(c1)F 207a_100000209983_100000210812 [0,2,0,0,0,0|1,0,0]=3 16561 B14R1.26 CCCCCNCc1cccc(c1)F 2230a_100000174948_100000210326 [0,2,0,0,0,0|1,0,0]=3 16562 B14R1.26 CCCCCNCc1cccc(c1)F 2230a_100000209983_100000230114 [0,2,0,0,0,0|1,0,0]=3 16563 B14R1.26 CCCCCNCc1cccc(c1)F 270004a_100000209983_100000210812 [0,2,0,0,0,0|1,0,0]=3 16564 B14R1.26 CCCCCNCc1cccc(c1)F 34a_100000174948_100000718602 [0,2,0,0,0,0|1,0,0]=3 16565 B14R1.26 CCCCCNCc1cccc(c1)I 207a_100000209983_100000014684 [0,2,0,0,0,0|1,0,0]=3 16566 B14R1.26 CCCCCNCc1cccc(c1)I 2230a_100000106179_100000210326 [0,2,0,0,0,0|1,0,0]=3 16567 B14R1.26 CCCCCNCc1cccc(c1)I 2230a_100000209983_100011218688 [0,2,0,0,0,0|1,0,0]=3 16568 B14R1.26 CCCCCNCc1cccc(c1)I 270004a_100000209983_100000014684 [0,2,0,0,0,0|1,0,0]=3 16569 B14R1.26 CCCCCNCc1cccc(c1)I 34a_100000106179_100000718602 [0,2,0,0,0,0|1,0,0]=3 16570 B14R1.26 CCCCCNCc1cccc(c1)O 207a_100000209983_100000188321 [0,2,0,0,0,0|1,0,0]=3 16571 B14R1.26 CCCCCNCc1cccc(c1)O 2230a_100000209983_100011660834 [0,2,0,0,0,0|1,0,0]=3 16572 B14R1.26 CCCCCNCc1cccc(c1)O 2230a_100000743036_100000210326 [0,2,0,0,0,0|1,0,0]=3 16573 B14R1.26 CCCCCNCc1cccc(c1)O 270004a_100000209983_100000188321 [0,2,0,0,0,0|1,0,0]=3 16574 B14R1.26 CCCCCNCc1cccc(c1)O 34a_100000743036_100000718602 [0,2,0,0,0,0|1,0,0]=3 16575 B14R1.26 CCCCCNCc1cccc(n1)Br 2230a_100000209983_100009889011 [0,2,0,0,0,0|2,0,0]=4 16576 B14R1.26 CCCCCNCc1cccc(n1)Br 2230a_100016987751_100000210326 [0,2,0,0,0,0|2,0,0]=4 16577 B14R1.26 CCCCCNCc1cccc(n1)Br 270004a_100000209983_100000688028 [0,2,0,0,0,0|2,0,0]=4 16578 B14R1.26 CCCCCNCc1cccc(n1)C 207a_100000209983_100011215050 [0,2,0,0,0,0|2,0,0]=4 16579 B14R1.26 CCCCCNCc1cccc(n1)C 2230a_100000209983_100000757606 [0,2,0,0,0,0|2,0,0]=4 16580 B14R1.26 CCCCCNCc1cccc(n1)C 270004a_100000209983_100011215050 [0,2,0,0,0,0|2,0,0]=4 16581 B14R1.26 CCCCCNCc1cccc(n1)C 34a_100000701342_100000718602 [0,2,0,0,0,0|2,0,0]=4 16582 B14R1.26 CCCCCNCc1cccc(n1)Cl 2230a_100000209983_100000086093 [0,2,0,0,0,0|2,0,0]=4 16583 B14R1.26 CCCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210326 [0,2,0,0,0,0|2,0,0]=4 16584 B14R1.26 CCCCCNCc1cccc(n1)Cl 270004a_100000209983_100011361687 [0,2,0,0,0,0|2,0,0]=4 16585 B14R1.26 CCCCCNCc1cccc(n1)F 2230a_100000209983_100009819644 [0,2,0,0,0,0|2,0,0]=4 16586 B14R1.26 CCCCCNCc1cccc(n1)F 2230a_100015188798_100000210326 [0,2,0,0,0,0|2,0,0]=4 16587 B14R1.26 CCCCCNCc1cccc(n1)F 270004a_100000209983_100000050434 [0,2,0,0,0,0|2,0,0]=4 16588 B14R1.26 CCCCCNCc1cccc(n1)F 34a_100015188798_100000718602 [0,2,0,0,0,0|2,0,0]=4 16589 B14R1.26 CCCCCNCc1ccnc(c1)Br 2230a_100000209983_100010243470 [0,2,0,0,0,0|2,0,0]=4 16590 B14R1.26 CCCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210326 [0,2,0,0,0,0|2,0,0]=4 16591 B14R1.26 CCCCCNCc1ccnc(c1)Br 270004a_100000209983_100009814634 [0,2,0,0,0,0|2,0,0]=4 16592 B14R1.26 CCCCCNCc1ccnc(c1)Br 34a_100025757509_100000718602 [0,2,0,0,0,0|2,0,0]=4 16593 B14R1.26 CCCCCNCc1ccnc(c1)C 207a_100000209983_100011361630 [0,2,0,0,0,0|2,0,0]=4 16594 B14R1.26 CCCCCNCc1ccnc(c1)C 2230a_100000209983_200020672517 [0,2,0,0,0,0|2,0,0]=4 16595 B14R1.26 CCCCCNCc1ccnc(c1)C 270004a_100000209983_100011361630 [0,2,0,0,0,0|2,0,0]=4 16596 B14R1.26 CCCCCNCc1ccnc(c1)C 34a_100011934566_100000718602 [0,2,0,0,0,0|2,0,0]=4 16597 B14R1.26 CCCCCNCc1ccnc(c1)Cl 2230a_100000209983_100000764220 [0,2,0,0,0,0|2,0,0]=4 16598 B14R1.26 CCCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210326 [0,2,0,0,0,0|2,0,0]=4 16599 B14R1.26 CCCCCNCc1ccnc(c1)Cl 270004a_100000209983_100011290808 [0,2,0,0,0,0|2,0,0]=4 16600 B14R1.26 CCCCCNCc1ccnc(c1)Cl 34a_100015205668_100000718602 [0,2,0,0,0,0|2,0,0]=4 16601 B14R1.26 CCCCCNCc1ccnc(c1)F 2230a_100015188774_100000210326 [0,2,0,0,0,0|2,0,0]=4 16602 B14R1.26 CCCCCNCc1ccnc(c1)F 270004a_100000209983_100000068331 [0,2,0,0,0,0|2,0,0]=4 16603 B14R1.26 CCCCCNCc1ccnc(c1)F 34a_100015188774_100000718602 [0,2,0,0,0,0|2,0,0]=4 16604 B14R1.26 CCCCCNCc1ccnc(c1)O 207a_100000209983_100000688113 [0,2,0,0,0,0|2,0,0]=4 16605 B14R1.26 CCCCCNCc1cncc(c1)Br 207a_100000209983_100000687066 [0,2,0,0,0,0|2,0,0]=4 16606 B14R1.26 CCCCCNCc1cncc(c1)Br 2230a_100000209983_100000738771 [0,2,0,0,0,0|2,0,0]=4 16607 B14R1.26 CCCCCNCc1cncc(c1)Br 270004a_100000209983_100000687066 [0,2,0,0,0,0|2,0,0]=4 16608 B14R1.26 CCCCCNCc1cncc(c1)C 207a_100000209983_100011998712 [0,2,0,0,0,0|2,0,0]=4 16609 B14R1.26 CCCCCNCc1cncc(c1)C 2230a_100000209983_100000716715 [0,2,0,0,0,0|2,0,0]=4 16610 B14R1.26 CCCCCNCc1cncc(c1)C 2230a_100000692839_100000210326 [0,2,0,0,0,0|2,0,0]=4 16611 B14R1.26 CCCCCNCc1cncc(c1)C 270004a_100000209983_100011998712 [0,2,0,0,0,0|2,0,0]=4 16612 B14R1.26 CCCCCNCc1cncc(c1)C 34a_100000692839_100000718602 [0,2,0,0,0,0|2,0,0]=4 16613 B14R1.26 CCCCCNCc1cncc(c1)Cl 207a_100000209983_100000088910 [0,2,0,0,0,0|2,0,0]=4 16614 B14R1.26 CCCCCNCc1cncc(c1)Cl 2230a_100000209983_100016992070 [0,2,0,0,0,0|2,0,0]=4 16615 B14R1.26 CCCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210326 [0,2,0,0,0,0|2,0,0]=4 16616 B14R1.26 CCCCCNCc1cncc(c1)Cl 270004a_100000209983_100000088910 [0,2,0,0,0,0|2,0,0]=4 16617 B14R1.26 CCCCCNCc1cncc(c1)F 207a_100000209983_100011361476 [0,2,0,0,0,0|2,0,0]=4 16618 B14R1.26 CCCCCNCc1cncc(c1)F 2230a_100000209983_100000725299 [0,2,0,0,0,0|2,0,0]=4 16619 B14R1.26 CCCCCNCc1cncc(c1)F 2230a_100011962886_100000210326 [0,2,0,0,0,0|2,0,0]=4 16620 B14R1.26 CCCCCNCc1cncc(c1)F 270004a_100000209983_100011361476 [0,2,0,0,0,0|2,0,0]=4 16621 B14R1.26 CCCCCNCc1cncc(c1)F 34a_100011962886_100000718602 [0,2,0,0,0,0|2,0,0]=4 16622 B14R1.26 CCCCCNCc1cncc(c1)O 207a_100000209983_100012187055 [0,2,0,0,0,0|2,0,0]=4 16623 B14R1.26 CCCCCNCc1cncc(c1)O 270004a_100000209983_100012187055 [0,2,0,0,0,0|2,0,0]=4 16624 B14R1.26 CCCCCOCc1cc(ccn1)Br 34a_100000210253_100010173614 [0,2,0,0,0,0|2,0,0]=4 16625 B14R1.26 CCCCCOCc1cc(ccn1)Br 7a_100000210253_100010173614 [0,2,0,0,0,0|2,0,0]=4 16626 B14R1.26 CCCCCOCc1cc(ccn1)C 34a_100000210253_100000718516 [0,2,0,0,0,0|2,0,0]=4 16627 B14R1.26 CCCCCOCc1cc(ccn1)C 34a_100011998357_100000718602 [0,2,0,0,0,0|2,0,0]=4 16628 B14R1.26 CCCCCOCc1cc(ccn1)C 7a_100000210253_100000718516 [0,2,0,0,0,0|2,0,0]=4 16629 B14R1.26 CCCCCOCc1cc(ccn1)Cl 34a_100000210253_100016988179 [0,2,0,0,0,0|2,0,0]=4 16630 B14R1.26 CCCCCOCc1cc(ccn1)Cl 34a_100000748867_100000718602 [0,2,0,0,0,0|2,0,0]=4 16631 B14R1.26 CCCCCOCc1cc(ccn1)Cl 7a_100000210253_100016988179 [0,2,0,0,0,0|2,0,0]=4 16632 B14R1.26 CCCCCOCc1cc(ccn1)N 34a_100000692640_100000718602 [0,2,0,0,0,0|2,0,0]=4 16633 B14R1.26 CCCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000718602 [0,2,0,0,0,0|2,0,0]=4 16634 B14R1.26 CCCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210326 [0,2,0,0,0,0|2,0,0]=4 16635 B14R1.26 CCCCCOCc1cccc(c1)Br 34a_100000210253_100000698116 [0,2,0,0,0,0|1,0,0]=3 16636 B14R1.26 CCCCCOCc1cccc(c1)Br 34a_100000687537_100000718602 [0,2,0,0,0,0|1,0,0]=3 16637 B14R1.26 CCCCCOCc1cccc(c1)Br 7a_100000210253_100000211773 [0,2,0,0,0,0|1,0,0]=3 16638 B14R1.26 CCCCCOCc1cccc(c1)Br 7a_100000687537_100000210326 [0,2,0,0,0,0|1,0,0]=3 16639 B14R1.26 CCCCCOCc1cccc(c1)C 34a_100000210253_100000211840 [0,2,0,0,0,0|1,0,0]=3 16640 B14R1.26 CCCCCOCc1cccc(c1)C 34a_100011217746_100000718602 [0,2,0,0,0,0|1,0,0]=3 16641 B14R1.26 CCCCCOCc1cccc(c1)C 7a_100000210253_100000211840 [0,2,0,0,0,0|1,0,0]=3 16642 B14R1.26 CCCCCOCc1cccc(c1)C 7a_100011217746_100000210326 [0,2,0,0,0,0|1,0,0]=3 16643 B14R1.26 CCCCCOCc1cccc(c1)Cl 34a_100000210253_100000187163 [0,2,0,0,0,0|1,0,0]=3 16644 B14R1.26 CCCCCOCc1cccc(c1)Cl 34a_100000241301_100000718602 [0,2,0,0,0,0|1,0,0]=3 16645 B14R1.26 CCCCCOCc1cccc(c1)Cl 7a_100000210253_100000187163 [0,2,0,0,0,0|1,0,0]=3 16646 B14R1.26 CCCCCOCc1cccc(c1)Cl 7a_100000241301_100000210326 [0,2,0,0,0,0|1,0,0]=3 16647 B14R1.26 CCCCCOCc1cccc(c1)F 34a_100000210253_100000187166 [0,2,0,0,0,0|1,0,0]=3 16648 B14R1.26 CCCCCOCc1cccc(c1)F 34a_100000210976_100000718602 [0,2,0,0,0,0|1,0,0]=3 16649 B14R1.26 CCCCCOCc1cccc(c1)F 7a_100000210253_100000230114 [0,2,0,0,0,0|1,0,0]=3 16650 B14R1.26 CCCCCOCc1cccc(c1)F 7a_100000210976_100000210326 [0,2,0,0,0,0|1,0,0]=3 16651 B14R1.26 CCCCCOCc1cccc(c1)I 34a_100000210253_100011218688 [0,2,0,0,0,0|1,0,0]=3 16652 B14R1.26 CCCCCOCc1cccc(c1)I 34a_100011215336_100000718602 [0,2,0,0,0,0|1,0,0]=3 16653 B14R1.26 CCCCCOCc1cccc(c1)I 7a_100000210253_100011218688 [0,2,0,0,0,0|1,0,0]=3 16654 B14R1.26 CCCCCOCc1cccc(c1)I 7a_100011215336_100000210326 [0,2,0,0,0,0|1,0,0]=3 16655 B14R1.26 CCCCCOCc1cccc(c1)N 34a_100000211919_100000718602 [0,2,0,0,0,0|1,0,0]=3 16656 B14R1.26 CCCCCOCc1cccc(c1)O 34a_100000210253_100011660834 [0,2,0,0,0,0|1,0,0]=3 16657 B14R1.26 CCCCCOCc1cccc(c1)O 7a_100000210253_100000084143 [0,2,0,0,0,0|1,0,0]=3 16658 B14R1.26 CCCCCOCc1cccc(n1)Br 34a_100000210253_100009889011 [0,2,0,0,0,0|2,0,0]=4 16659 B14R1.26 CCCCCOCc1cccc(n1)Br 34a_100000694195_100000718602 [0,2,0,0,0,0|2,0,0]=4 16660 B14R1.26 CCCCCOCc1cccc(n1)Br 7a_100000210253_100009889011 [0,2,0,0,0,0|2,0,0]=4 16661 B14R1.26 CCCCCOCc1cccc(n1)C 34a_100000210253_100000757606 [0,2,0,0,0,0|2,0,0]=4 16662 B14R1.26 CCCCCOCc1cccc(n1)C 34a_100000690600_100000718602 [0,2,0,0,0,0|2,0,0]=4 16663 B14R1.26 CCCCCOCc1cccc(n1)C 7a_100000210253_100000757606 [0,2,0,0,0,0|2,0,0]=4 16664 B14R1.26 CCCCCOCc1cccc(n1)Cl 34a_100000210253_100000086093 [0,2,0,0,0,0|2,0,0]=4 16665 B14R1.26 CCCCCOCc1cccc(n1)Cl 34a_100011998359_100000718602 [0,2,0,0,0,0|2,0,0]=4 16666 B14R1.26 CCCCCOCc1cccc(n1)Cl 7a_100000210253_100000086093 [0,2,0,0,0,0|2,0,0]=4 16667 B14R1.26 CCCCCOCc1cccc(n1)F 34a_100000086748_100000718602 [0,2,0,0,0,0|2,0,0]=4 16668 B14R1.26 CCCCCOCc1cccc(n1)F 34a_100000210253_100009819644 [0,2,0,0,0,0|2,0,0]=4 16669 B14R1.26 CCCCCOCc1cccc(n1)F 7a_100000210253_100009819644 [0,2,0,0,0,0|2,0,0]=4 16670 B14R1.26 CCCCCOCc1ccnc(c1)Br 34a_100000210253_100010243470 [0,2,0,0,0,0|2,0,0]=4 16671 B14R1.26 CCCCCOCc1ccnc(c1)Br 34a_100009814636_100000718602 [0,2,0,0,0,0|2,0,0]=4 16672 B14R1.26 CCCCCOCc1ccnc(c1)Br 7a_100000210253_100010254460 [0,2,0,0,0,0|2,0,0]=4 16673 B14R1.26 CCCCCOCc1ccnc(c1)Br 7a_100009814636_100000210326 [0,2,0,0,0,0|2,0,0]=4 16674 B14R1.26 CCCCCOCc1ccnc(c1)C 34a_100000210253_200020672517 [0,2,0,0,0,0|2,0,0]=4 16675 B14R1.26 CCCCCOCc1ccnc(c1)C 34a_100011998630_100000718602 [0,2,0,0,0,0|2,0,0]=4 16676 B14R1.26 CCCCCOCc1ccnc(c1)C 7a_100000210253_200020672517 [0,2,0,0,0,0|2,0,0]=4 16677 B14R1.26 CCCCCOCc1ccnc(c1)Cl 34a_100000210253_100000764220 [0,2,0,0,0,0|2,0,0]=4 16678 B14R1.26 CCCCCOCc1ccnc(c1)Cl 34a_100000748751_100000718602 [0,2,0,0,0,0|2,0,0]=4 16679 B14R1.26 CCCCCOCc1ccnc(c1)Cl 7a_100000210253_100000764220 [0,2,0,0,0,0|2,0,0]=4 16680 B14R1.26 CCCCCOCc1ccnc(c1)F 34a_100000082451_100000718602 [0,2,0,0,0,0|2,0,0]=4 16681 B14R1.26 CCCCCOCc1cncc(c1)Br 34a_100000210253_100000738771 [0,2,0,0,0,0|2,0,0]=4 16682 B14R1.26 CCCCCOCc1cncc(c1)Br 34a_100011259137_100000718602 [0,2,0,0,0,0|2,0,0]=4 16683 B14R1.26 CCCCCOCc1cncc(c1)Br 7a_100000210253_100000738771 [0,2,0,0,0,0|2,0,0]=4 16684 B14R1.26 CCCCCOCc1cncc(c1)Br 7a_100011259137_100000210326 [0,2,0,0,0,0|2,0,0]=4 16685 B14R1.26 CCCCCOCc1cncc(c1)C 34a_100000210253_100000716715 [0,2,0,0,0,0|2,0,0]=4 16686 B14R1.26 CCCCCOCc1cncc(c1)C 34a_100011998709_100000718602 [0,2,0,0,0,0|2,0,0]=4 16687 B14R1.26 CCCCCOCc1cncc(c1)C 7a_100000210253_100000716715 [0,2,0,0,0,0|2,0,0]=4 16688 B14R1.26 CCCCCOCc1cncc(c1)C 7a_100011998709_100000210326 [0,2,0,0,0,0|2,0,0]=4 16689 B14R1.26 CCCCCOCc1cncc(c1)Cl 34a_100000092867_100000718602 [0,2,0,0,0,0|2,0,0]=4 16690 B14R1.26 CCCCCOCc1cncc(c1)Cl 34a_100000210253_100016992070 [0,2,0,0,0,0|2,0,0]=4 16691 B14R1.26 CCCCCOCc1cncc(c1)Cl 7a_100000092867_100000210326 [0,2,0,0,0,0|2,0,0]=4 16692 B14R1.26 CCCCCOCc1cncc(c1)Cl 7a_100000210253_100016992070 [0,2,0,0,0,0|2,0,0]=4 16693 B14R1.26 CCCCCOCc1cncc(c1)F 34a_100000210253_100000725299 [0,2,0,0,0,0|2,0,0]=4 16694 B14R1.26 CCCCCOCc1cncc(c1)F 34a_100011962875_100000718602 [0,2,0,0,0,0|2,0,0]=4 16695 B14R1.26 CCCCCOCc1cncc(c1)F 7a_100000210253_100000725299 [0,2,0,0,0,0|2,0,0]=4 16696 B14R1.26 CCCCCOCc1cncc(c1)F 7a_100011962875_100000210326 [0,2,0,0,0,0|2,0,0]=4 16697 B14R1.26 CCCCCOCc1cncc(c1)N 34a_100000085308_100000718602 [0,2,0,0,0,0|2,0,0]=4 16698 B14R1.26 CCCCCSCc1cc(ccn1)Br 62a_100000210326_100010173614 [0,2,0,0,0,0|2,0,0]=4 16699 B14R1.26 CCCCCSCc1cc(ccn1)Br 62a_100010173614_100000210326 [0,2,0,0,0,0|2,0,0]=4 16700 B14R1.26 CCCCCSCc1cc(ccn1)C 62a_100000210326_100000718516 [0,2,0,0,0,0|2,0,0]=4 16701 B14R1.26 CCCCCSCc1cc(ccn1)C 62a_100000718516_100000210326 [0,2,0,0,0,0|2,0,0]=4 16702 B14R1.26 CCCCCSCc1cc(ccn1)Cl 62a_100000210326_100016988179 [0,2,0,0,0,0|2,0,0]=4 16703 B14R1.26 CCCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210326 [0,2,0,0,0,0|2,0,0]=4 16704 B14R1.26 CCCCCSCc1cccc(c1)Br 62a_100000210326_100000211773 [0,2,0,0,0,0|1,0,0]=3 16705 B14R1.26 CCCCCSCc1cccc(c1)Br 62a_100000211773_100000210326 [0,2,0,0,0,0|1,0,0]=3 16706 B14R1.26 CCCCCSCc1cccc(c1)C 62a_100000210326_100000211840 [0,2,0,0,0,0|1,0,0]=3 16707 B14R1.26 CCCCCSCc1cccc(c1)C 62a_100000211840_100000210326 [0,2,0,0,0,0|1,0,0]=3 16708 B14R1.26 CCCCCSCc1cccc(c1)Cl 62a_100000187163_100000210326 [0,2,0,0,0,0|1,0,0]=3 16709 B14R1.26 CCCCCSCc1cccc(c1)Cl 62a_100000210326_100000187163 [0,2,0,0,0,0|1,0,0]=3 16710 B14R1.26 CCCCCSCc1cccc(c1)F 62a_100000210326_100000230114 [0,2,0,0,0,0|1,0,0]=3 16711 B14R1.26 CCCCCSCc1cccc(c1)F 62a_100000230114_100000210326 [0,2,0,0,0,0|1,0,0]=3 16712 B14R1.26 CCCCCSCc1cccc(c1)I 62a_100000210326_100011218688 [0,2,0,0,0,0|1,0,0]=3 16713 B14R1.26 CCCCCSCc1cccc(c1)I 62a_100011218688_100000210326 [0,2,0,0,0,0|1,0,0]=3 16714 B14R1.26 CCCCCSCc1cccc(c1)O 62a_100000210326_100011660834 [0,2,0,0,0,0|1,0,0]=3 16715 B14R1.26 CCCCCSCc1cccc(c1)O 62a_100011660834_100000210326 [0,2,0,0,0,0|1,0,0]=3 16716 B14R1.26 CCCCCSCc1cccc(n1)Br 62a_100000210326_100009889011 [0,2,0,0,0,0|2,0,0]=4 16717 B14R1.26 CCCCCSCc1cccc(n1)Br 62a_100009889011_100000210326 [0,2,0,0,0,0|2,0,0]=4 16718 B14R1.26 CCCCCSCc1cccc(n1)C 62a_100000210326_100000757606 [0,2,0,0,0,0|2,0,0]=4 16719 B14R1.26 CCCCCSCc1cccc(n1)C 62a_100000757606_100000210326 [0,2,0,0,0,0|2,0,0]=4 16720 B14R1.26 CCCCCSCc1cccc(n1)Cl 62a_100000086093_100000210326 [0,2,0,0,0,0|2,0,0]=4 16721 B14R1.26 CCCCCSCc1cccc(n1)Cl 62a_100000210326_100000086093 [0,2,0,0,0,0|2,0,0]=4 16722 B14R1.26 CCCCCSCc1cccc(n1)F 62a_100000210326_100009819644 [0,2,0,0,0,0|2,0,0]=4 16723 B14R1.26 CCCCCSCc1cccc(n1)F 62a_100009819644_100000210326 [0,2,0,0,0,0|2,0,0]=4 16724 B14R1.26 CCCCCSCc1ccnc(c1)Br 62a_100000210326_100010243470 [0,2,0,0,0,0|2,0,0]=4 16725 B14R1.26 CCCCCSCc1ccnc(c1)Br 62a_100010254460_100000210326 [0,2,0,0,0,0|2,0,0]=4 16726 B14R1.26 CCCCCSCc1ccnc(c1)C 62a_100000210326_200020672517 [0,2,0,0,0,0|2,0,0]=4 16727 B14R1.26 CCCCCSCc1ccnc(c1)C 62a_200020672517_100000210326 [0,2,0,0,0,0|2,0,0]=4 16728 B14R1.26 CCCCCSCc1ccnc(c1)Cl 62a_100000210326_100000764220 [0,2,0,0,0,0|2,0,0]=4 16729 B14R1.26 CCCCCSCc1ccnc(c1)Cl 62a_100000764220_100000210326 [0,2,0,0,0,0|2,0,0]=4 16730 B14R1.26 CCCCCSCc1cncc(c1)Br 62a_100000210326_100000738771 [0,2,0,0,0,0|2,0,0]=4 16731 B14R1.26 CCCCCSCc1cncc(c1)Br 62a_100000738771_100000210326 [0,2,0,0,0,0|2,0,0]=4 16732 B14R1.26 CCCCCSCc1cncc(c1)C 62a_100000210326_100000716715 [0,2,0,0,0,0|2,0,0]=4 16733 B14R1.26 CCCCCSCc1cncc(c1)C 62a_100000716715_100000210326 [0,2,0,0,0,0|2,0,0]=4 16734 B14R1.26 CCCCCSCc1cncc(c1)Cl 62a_100000210326_100016992070 [0,2,0,0,0,0|2,0,0]=4 16735 B14R1.26 CCCCCSCc1cncc(c1)Cl 62a_100016992070_100000210326 [0,2,0,0,0,0|2,0,0]=4 16736 B14R1.26 CCCCCSCc1cncc(c1)F 62a_100000210326_100000725299 [0,2,0,0,0,0|2,0,0]=4 16737 B14R1.26 CCCCCSCc1cncc(c1)F 62a_100000725299_100000210326 [0,2,0,0,0,0|2,0,0]=4 16738 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100000102301_100011740638 [0,2,0,0,0,0|1,0,0]=3 16739 B14R1.26 CCCCNCCc1cccc(c1)Br 2230a_100011207229_100000210211 [0,2,0,0,0,0|1,0,0]=3 16740 B14R1.26 CCCCNCCc1cccc(c1)Br 34a_100011207229_100000210210 [0,2,0,0,0,0|1,0,0]=3 16741 B14R1.26 CCCCNCCc1cccc(c1)Br 7a_106832991798_100011740638 [0,2,0,0,0,0|1,0,0]=3 16742 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000102301_100011713685 [0,2,0,0,0,0|1,0,0]=3 16743 B14R1.26 CCCCNCCc1cccc(c1)C 2230a_100000749837_100000210211 [0,2,0,0,0,0|1,0,0]=3 16744 B14R1.26 CCCCNCCc1cccc(c1)C 34a_100000749837_100000210210 [0,2,0,0,0,0|1,0,0]=3 16745 B14R1.26 CCCCNCCc1cccc(c1)C 7a_106832991798_100011713685 [0,2,0,0,0,0|1,0,0]=3 16746 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000102301_100011713710 [0,2,0,0,0,0|1,0,0]=3 16747 B14R1.26 CCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210211 [0,2,0,0,0,0|1,0,0]=3 16748 B14R1.26 CCCCNCCc1cccc(c1)Cl 34a_100000185263_100000210210 [0,2,0,0,0,0|1,0,0]=3 16749 B14R1.26 CCCCNCCc1cccc(c1)Cl 7a_106832991798_100011713710 [0,2,0,0,0,0|1,0,0]=3 16750 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000102301_100011217235 [0,2,0,0,0,0|1,0,0]=3 16751 B14R1.26 CCCCNCCc1cccc(c1)F 2230a_100000205154_100000210211 [0,2,0,0,0,0|1,0,0]=3 16752 B14R1.26 CCCCNCCc1cccc(c1)F 34a_100000205154_100000210210 [0,2,0,0,0,0|1,0,0]=3 16753 B14R1.26 CCCCNCCc1cccc(c1)F 7a_106832991798_100011217235 [0,2,0,0,0,0|1,0,0]=3 16754 B14R1.26 CCCCNCCc1cccc(c1)O 2230a_100000747277_100000210211 [0,2,0,0,0,0|1,0,0]=3 16755 B14R1.26 CCCCNCCc1cccc(c1)O 34a_100000747277_100000210210 [0,2,0,0,0,0|1,0,0]=3 16756 B14R1.26 CCCCNCCc1cccc(n1)C 2230a_100011824523_100000210211 [0,2,0,0,0,0|2,0,0]=4 16757 B14R1.26 CCCCNCCc1cccc(n1)C 34a_100011824523_100000210210 [0,2,0,0,0,0|2,0,0]=4 16758 B14R1.26 CCCCOCCc1cccc(c1)Br 34a_100000210227_100011740638 [0,2,0,0,0,0|1,0,0]=3 16759 B14R1.26 CCCCOCCc1cccc(c1)Br 34a_100011217444_100000210210 [0,2,0,0,0,0|1,0,0]=3 16760 B14R1.26 CCCCOCCc1cccc(c1)Br 7a_100000210227_100011740638 [0,2,0,0,0,0|1,0,0]=3 16761 B14R1.26 CCCCOCCc1cccc(c1)Br 7a_100011217444_100000210211 [0,2,0,0,0,0|1,0,0]=3 16762 B14R1.26 CCCCOCCc1cccc(c1)C 34a_100000210227_100011713685 [0,2,0,0,0,0|1,0,0]=3 16763 B14R1.26 CCCCOCCc1cccc(c1)C 34a_100011217157_100000210210 [0,2,0,0,0,0|1,0,0]=3 16764 B14R1.26 CCCCOCCc1cccc(c1)C 7a_100000210227_100011713685 [0,2,0,0,0,0|1,0,0]=3 16765 B14R1.26 CCCCOCCc1cccc(c1)C 7a_100011217157_100000210211 [0,2,0,0,0,0|1,0,0]=3 16766 B14R1.26 CCCCOCCc1cccc(c1)Cl 34a_100000210227_100011713710 [0,2,0,0,0,0|1,0,0]=3 16767 B14R1.26 CCCCOCCc1cccc(c1)Cl 34a_100000754733_100000210210 [0,2,0,0,0,0|1,0,0]=3 16768 B14R1.26 CCCCOCCc1cccc(c1)Cl 7a_100000210227_100011713710 [0,2,0,0,0,0|1,0,0]=3 16769 B14R1.26 CCCCOCCc1cccc(c1)Cl 7a_100000754733_100000210211 [0,2,0,0,0,0|1,0,0]=3 16770 B14R1.26 CCCCOCCc1cccc(c1)F 34a_100000210227_100011217235 [0,2,0,0,0,0|1,0,0]=3 16771 B14R1.26 CCCCOCCc1cccc(c1)F 34a_100000763591_100000210210 [0,2,0,0,0,0|1,0,0]=3 16772 B14R1.26 CCCCOCCc1cccc(c1)F 7a_100000210227_100011217235 [0,2,0,0,0,0|1,0,0]=3 16773 B14R1.26 CCCCOCCc1cccc(c1)F 7a_100000763591_100000210211 [0,2,0,0,0,0|1,0,0]=3 16774 B14R1.26 CCCCOCCc1cccc(c1)N 34a_100011996697_100000210210 [0,2,0,0,0,0|1,0,0]=3 16775 B14R1.26 CCCCOCCc1cccc(n1)Br 34a_100010221043_100000210210 [0,2,0,0,0,0|2,0,0]=4 16776 B14R1.26 CCCCOCCc1cccc(n1)Br 7a_100010221043_100000210211 [0,2,0,0,0,0|2,0,0]=4 16777 B14R1.26 CCCCOCNc1cccc(c1)Br 34a_100000210019_100011995733 [0,2,0,0,0,0|2,0,0]=4 16778 B14R1.26 CCCCOCNc1cccc(c1)C 2230a_100000188690_100011995733 [0,2,0,0,0,0|2,0,0]=4 16779 B14R1.26 CCCCOCNc1cccc(c1)C 34a_100000188690_100011995733 [0,2,0,0,0,0|2,0,0]=4 16780 B14R1.26 CCCCOCNc1cccc(c1)Cl 34a_100000185859_100011995733 [0,2,0,0,0,0|2,0,0]=4 16781 B14R1.26 CCCCOCNc1cccc(c1)F 34a_100000210047_100011995733 [0,2,0,0,0,0|2,0,0]=4 16782 B14R1.26 CCCCOCNc1cccc(c1)I 34a_100000211102_100011995733 [0,2,0,0,0,0|2,0,0]=4 16783 B14R1.26 CCCCOCNc1cccc(c1)O 34a_100000210217_100011995733 [0,2,0,0,0,0|2,0,0]=4 16784 B14R1.26 CCCCOCOc1cccc(c1)Br 34a_100000210342_100011995733 [0,2,0,0,0,0|2,0,0]=4 16785 B14R1.26 CCCCOCOc1cccc(c1)C 34a_100000210337_100011995733 [0,2,0,0,0,0|2,0,0]=4 16786 B14R1.26 CCCCOCOc1cccc(c1)Cl 34a_100000210295_100011995733 [0,2,0,0,0,0|2,0,0]=4 16787 B14R1.26 CCCCOCOc1cccc(c1)F 34a_100000210426_100011995733 [0,2,0,0,0,0|2,0,0]=4 16788 B14R1.26 CCCCOCOc1cccc(c1)I 34a_100000211634_100011995733 [0,2,0,0,0,0|2,0,0]=4 16789 B14R1.26 CCCCOCOc1cccc(c1)N 34a_100000210217_100011995733 [0,2,0,0,0,0|2,0,0]=4 16790 B14R1.26 CCCCOCSc1cccc(c1)Br 62a_100000691529_100011995733 [0,2,0,0,0,0|2,0,0]=4 16791 B14R1.26 CCCCOCSc1cccc(c1)Br 62a_100011995733_100000691529 [0,2,0,0,0,0|2,0,0]=4 16792 B14R1.26 CCCCOCSc1cccc(c1)C 62a_100011215228_100011995733 [0,2,0,0,0,0|2,0,0]=4 16793 B14R1.26 CCCCOCSc1cccc(c1)C 62a_100011995733_100011215228 [0,2,0,0,0,0|2,0,0]=4 16794 B14R1.26 CCCCOCSc1cccc(c1)Cl 62a_100000699651_100011995733 [0,2,0,0,0,0|2,0,0]=4 16795 B14R1.26 CCCCOCSc1cccc(c1)Cl 62a_100011995733_100000699651 [0,2,0,0,0,0|2,0,0]=4 16796 B14R1.26 CCCCOCSc1cccc(c1)F 62a_100000685547_100011995733 [0,2,0,0,0,0|2,0,0]=4 16797 B14R1.26 CCCCOCSc1cccc(c1)F 62a_100011995733_100000685547 [0,2,0,0,0,0|2,0,0]=4 16798 B14R1.26 CCCCOCSc1cccc(c1)N 62a_100000210019_100011995733 [0,2,0,0,0,0|2,0,0]=4 16799 B14R1.26 CCCCOCSc1cccc(c1)N 62a_100011995733_100000210019 [0,2,0,0,0,0|2,0,0]=4 16800 B14R1.26 CCCCOCSc1cccc(c1)O 62a_100011995733_100000211634 [0,2,0,0,0,0|2,0,0]=4 16801 B14R1.26 CCCCOCSc1cccc(c1)[S] 62a_100011995733_114929384022 [0,2,0,0,0,0|2,0,0]=4 16802 B14R1.26 CCCCOCSc1cccc(c1)[S] 62a_114929384022_100011995733 [0,2,0,0,0,0|2,0,0]=4 16803 B14R1.26 CCCCSCCc1cccc(c1)Br 62a_100000210211_100011740638 [0,2,0,0,0,0|1,0,0]=3 16804 B14R1.26 CCCCSCCc1cccc(c1)Br 62a_100011740638_100000210210 [0,2,0,0,0,0|1,0,0]=3 16805 B14R1.26 CCCCSCCc1cccc(c1)C 62a_100000210211_100011713685 [0,2,0,0,0,0|1,0,0]=3 16806 B14R1.26 CCCCSCCc1cccc(c1)C 62a_100011713685_100000210210 [0,2,0,0,0,0|1,0,0]=3 16807 B14R1.26 CCCCSCCc1cccc(c1)Cl 62a_100000210211_100011713710 [0,2,0,0,0,0|1,0,0]=3 16808 B14R1.26 CCCCSCCc1cccc(c1)Cl 62a_100011713710_100000210210 [0,2,0,0,0,0|1,0,0]=3 16809 B14R1.26 CCCCSCCc1cccc(c1)F 62a_100000210211_100011217235 [0,2,0,0,0,0|1,0,0]=3 16810 B14R1.26 CCCCSCCc1cccc(c1)F 62a_100011217235_100000210210 [0,2,0,0,0,0|1,0,0]=3 16811 B14R1.26 CCCNCCCc1cccc(c1)Br 2230a_100000753791_100000210303 [0,2,0,0,0,0|1,0,0]=3 16812 B14R1.26 CCCNCCCc1cccc(c1)Br 34a_100000753791_100000210303 [0,2,0,0,0,0|1,0,0]=3 16813 B14R1.26 CCCNCCCc1cccc(c1)C 2230a_103496528808_100000210303 [0,2,0,0,0,0|1,0,0]=3 16814 B14R1.26 CCCNCCCc1cccc(c1)C 34a_103496528808_100000210303 [0,2,0,0,0,0|1,0,0]=3 16815 B14R1.26 CCCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210303 [0,2,0,0,0,0|1,0,0]=3 16816 B14R1.26 CCCNCCCc1cccc(c1)Cl 34a_100000704586_100000210303 [0,2,0,0,0,0|1,0,0]=3 16817 B14R1.26 CCCNCCCc1cccc(c1)F 2230a_100000754185_100000210303 [0,2,0,0,0,0|1,0,0]=3 16818 B14R1.26 CCCNCCCc1cccc(c1)F 34a_100000754185_100000210303 [0,2,0,0,0,0|1,0,0]=3 16819 B14R1.26 CCCNCCOc1cccc(c1)Br 2230a_100000743521_100000210303 [0,2,0,0,0,0|2,0,0]=4 16820 B14R1.26 CCCNCCOc1cccc(c1)Br 34a_100000743521_100000210303 [0,2,0,0,0,0|2,0,0]=4 16821 B14R1.26 CCCNCCOc1cccc(c1)C 2230a_100015185188_100000210303 [0,2,0,0,0,0|2,0,0]=4 16822 B14R1.26 CCCNCCOc1cccc(c1)C 34a_100015185188_100000210303 [0,2,0,0,0,0|2,0,0]=4 16823 B14R1.26 CCCNCCOc1cccc(c1)Cl 2230a_100000740232_100000210303 [0,2,0,0,0,0|2,0,0]=4 16824 B14R1.26 CCCNCCOc1cccc(c1)Cl 34a_100000740232_100000210303 [0,2,0,0,0,0|2,0,0]=4 16825 B14R1.26 CCCNCCOc1cccc(c1)F 2230a_100000738948_100000210303 [0,2,0,0,0,0|2,0,0]=4 16826 B14R1.26 CCCNCCOc1cccc(c1)F 34a_100000738948_100000210303 [0,2,0,0,0,0|2,0,0]=4 16827 B14R1.26 CCCOCCCc1cccc(c1)Br 34a_100000210258_100011713683 [0,2,0,0,0,0|1,0,0]=3 16828 B14R1.26 CCCOCCCc1cccc(c1)Br 34a_100011709248_100000210303 [0,2,0,0,0,0|1,0,0]=3 16829 B14R1.26 CCCOCCCc1cccc(c1)Br 7a_100011709248_100000210303 [0,2,0,0,0,0|1,0,0]=3 16830 B14R1.26 CCCOCCCc1cccc(c1)Cl 34a_100011709246_100000210303 [0,2,0,0,0,0|1,0,0]=3 16831 B14R1.26 CCCOCCCc1cccc(c1)Cl 7a_100011709246_100000210303 [0,2,0,0,0,0|1,0,0]=3 16832 B14R1.26 CCCOCCCc1cccc(c1)F 34a_100000210258_200000698031 [0,2,0,0,0,0|1,0,0]=3 16833 B14R1.26 CCCOCCCc1cccc(c1)N 34a_200000698965_100000210303 [0,2,0,0,0,0|1,0,0]=3 16834 B14R1.26 CCCOCCCc1cccc(c1)N 7a_200000698965_100000210303 [0,2,0,0,0,0|1,0,0]=3 16835 B14R1.26 CCCOCCCc1cccc(n1)C 34a_100000211354_100000210303 [0,2,0,0,0,0|2,0,0]=4 16836 B14R1.26 CCCOCCNc1cccc(c1)Br 34a_100000210019_100011215938 [0,2,0,0,0,0|2,0,0]=4 16837 B14R1.26 CCCOCCNc1cccc(c1)C 2230a_100000188690_100011215938 [0,2,0,0,0,0|2,0,0]=4 16838 B14R1.26 CCCOCCNc1cccc(c1)C 34a_100000188690_100011215938 [0,2,0,0,0,0|2,0,0]=4 16839 B14R1.26 CCCOCCNc1cccc(c1)Cl 34a_100000185859_100011215938 [0,2,0,0,0,0|2,0,0]=4 16840 B14R1.26 CCCOCCNc1cccc(c1)F 34a_100000210047_100011215938 [0,2,0,0,0,0|2,0,0]=4 16841 B14R1.26 CCCOCCNc1cccc(c1)I 34a_100000211102_100011215938 [0,2,0,0,0,0|2,0,0]=4 16842 B14R1.26 CCCOCCNc1cccc(c1)O 34a_100000210217_100011215938 [0,2,0,0,0,0|2,0,0]=4 16843 B14R1.26 CCCOCCOc1cccc(c1)Br 34a_100000210258_100000183150 [0,2,0,0,0,0|2,0,0]=4 16844 B14R1.26 CCCOCCOc1cccc(c1)Br 34a_100000210342_100011215938 [0,2,0,0,0,0|2,0,0]=4 16845 B14R1.26 CCCOCCOc1cccc(c1)Br 34a_100000757546_100000210303 [0,2,0,0,0,0|2,0,0]=4 16846 B14R1.26 CCCOCCOc1cccc(c1)Br 7a_100000210342_100011215938 [0,2,0,0,0,0|2,0,0]=4 16847 B14R1.26 CCCOCCOc1cccc(c1)Br 7a_100000757546_100000210303 [0,2,0,0,0,0|2,0,0]=4 16848 B14R1.26 CCCOCCOc1cccc(c1)C 34a_100000210337_100011215938 [0,2,0,0,0,0|2,0,0]=4 16849 B14R1.26 CCCOCCOc1cccc(c1)C 34a_200011215094_100000210303 [0,2,0,0,0,0|2,0,0]=4 16850 B14R1.26 CCCOCCOc1cccc(c1)C 7a_100000210337_100011215938 [0,2,0,0,0,0|2,0,0]=4 16851 B14R1.26 CCCOCCOc1cccc(c1)C 7a_200011215094_100000210303 [0,2,0,0,0,0|2,0,0]=4 16852 B14R1.26 CCCOCCOc1cccc(c1)Cl 34a_100000210258_100000181161 [0,2,0,0,0,0|2,0,0]=4 16853 B14R1.26 CCCOCCOc1cccc(c1)Cl 34a_100000210295_100011215938 [0,2,0,0,0,0|2,0,0]=4 16854 B14R1.26 CCCOCCOc1cccc(c1)Cl 34a_100000230539_100000210303 [0,2,0,0,0,0|2,0,0]=4 16855 B14R1.26 CCCOCCOc1cccc(c1)Cl 7a_100000210295_100011215938 [0,2,0,0,0,0|2,0,0]=4 16856 B14R1.26 CCCOCCOc1cccc(c1)Cl 7a_100000230539_100000210303 [0,2,0,0,0,0|2,0,0]=4 16857 B14R1.26 CCCOCCOc1cccc(c1)F 34a_100000210258_100000739188 [0,2,0,0,0,0|2,0,0]=4 16858 B14R1.26 CCCOCCOc1cccc(c1)F 34a_100000210426_100011215938 [0,2,0,0,0,0|2,0,0]=4 16859 B14R1.26 CCCOCCOc1cccc(c1)F 7a_100000210426_100011215938 [0,2,0,0,0,0|2,0,0]=4 16860 B14R1.26 CCCOCCOc1cccc(c1)I 34a_100000211634_100011215938 [0,2,0,0,0,0|2,0,0]=4 16861 B14R1.26 CCCOCCOc1cccc(c1)I 7a_100000211634_100011215938 [0,2,0,0,0,0|2,0,0]=4 16862 B14R1.26 CCCOCCOc1cccc(c1)N 34a_100000210217_100011215938 [0,2,0,0,0,0|2,0,0]=4 16863 B14R1.26 CCCOCCOc1cccc(c1)N 34a_100011232151_100000210303 [0,2,0,0,0,0|2,0,0]=4 16864 B14R1.26 CCCOCCSc1cccc(c1)Br 62a_100000691529_100011215938 [0,2,0,0,0,0|2,0,0]=4 16865 B14R1.26 CCCOCCSc1cccc(c1)Br 62a_100011215938_100000691529 [0,2,0,0,0,0|2,0,0]=4 16866 B14R1.26 CCCOCCSc1cccc(c1)Br 7a_200011756134_100000210303 [0,2,0,0,0,0|2,0,0]=4 16867 B14R1.26 CCCOCCSc1cccc(c1)C 34a_200011432187_100000210303 [0,2,0,0,0,0|2,0,0]=4 16868 B14R1.26 CCCOCCSc1cccc(c1)C 62a_100011215228_100011215938 [0,2,0,0,0,0|2,0,0]=4 16869 B14R1.26 CCCOCCSc1cccc(c1)C 62a_100011215938_100011215228 [0,2,0,0,0,0|2,0,0]=4 16870 B14R1.26 CCCOCCSc1cccc(c1)C 7a_200011432187_100000210303 [0,2,0,0,0,0|2,0,0]=4 16871 B14R1.26 CCCOCCSc1cccc(c1)Cl 34a_200011721761_100000210303 [0,2,0,0,0,0|2,0,0]=4 16872 B14R1.26 CCCOCCSc1cccc(c1)Cl 62a_100000699651_100011215938 [0,2,0,0,0,0|2,0,0]=4 16873 B14R1.26 CCCOCCSc1cccc(c1)Cl 62a_100011215938_100000699651 [0,2,0,0,0,0|2,0,0]=4 16874 B14R1.26 CCCOCCSc1cccc(c1)Cl 7a_200011721761_100000210303 [0,2,0,0,0,0|2,0,0]=4 16875 B14R1.26 CCCOCCSc1cccc(c1)F 34a_200011996949_100000210303 [0,2,0,0,0,0|2,0,0]=4 16876 B14R1.26 CCCOCCSc1cccc(c1)F 62a_100000685547_100011215938 [0,2,0,0,0,0|2,0,0]=4 16877 B14R1.26 CCCOCCSc1cccc(c1)F 62a_100011215938_100000685547 [0,2,0,0,0,0|2,0,0]=4 16878 B14R1.26 CCCOCCSc1cccc(c1)F 7a_200011996949_100000210303 [0,2,0,0,0,0|2,0,0]=4 16879 B14R1.26 CCCOCCSc1cccc(c1)N 62a_100000210019_100011215938 [0,2,0,0,0,0|2,0,0]=4 16880 B14R1.26 CCCOCCSc1cccc(c1)N 62a_100011215938_100000210019 [0,2,0,0,0,0|2,0,0]=4 16881 B14R1.26 CCCOCCSc1cccc(c1)O 62a_100011215938_100000211634 [0,2,0,0,0,0|2,0,0]=4 16882 B14R1.26 CCCOCCSc1cccc(c1)[S] 62a_100011215938_114929384022 [0,2,0,0,0,0|2,0,0]=4 16883 B14R1.26 CCCOCCSc1cccc(c1)[S] 62a_114929384022_100011215938 [0,2,0,0,0,0|2,0,0]=4 16884 B14R1.26 CCCSCCCc1cccc(c1)Br 62a_100000210303_100011713683 [0,2,0,0,0,0|1,0,0]=3 16885 B14R1.26 CCCSCCCc1cccc(c1)Br 62a_100011713683_100000210303 [0,2,0,0,0,0|1,0,0]=3 16886 B14R1.26 CCCSCCCc1cccc(c1)F 62a_100000210303_200000698031 [0,2,0,0,0,0|1,0,0]=3 16887 B14R1.26 CCCSCCCc1cccc(c1)F 62a_200000698031_100000210303 [0,2,0,0,0,0|1,0,0]=3 16888 B14R1.26 CCCSCCOc1cccc(c1)Br 62a_100000183150_100000210303 [0,2,0,0,0,0|2,0,0]=4 16889 B14R1.26 CCCSCCOc1cccc(c1)Br 62a_100000210303_100000183150 [0,2,0,0,0,0|2,0,0]=4 16890 B14R1.26 CCCSCCOc1cccc(c1)Cl 62a_100000181161_100000210303 [0,2,0,0,0,0|2,0,0]=4 16891 B14R1.26 CCCSCCOc1cccc(c1)Cl 62a_100000210303_100000181161 [0,2,0,0,0,0|2,0,0]=4 16892 B14R1.26 CCCSCCOc1cccc(c1)F 62a_100000210303_100000739188 [0,2,0,0,0,0|2,0,0]=4 16893 B14R1.26 CCCSCCOc1cccc(c1)F 62a_100000739188_100000210303 [0,2,0,0,0,0|2,0,0]=4 16894 B14R1.26 CCNCCCOc1cccc(c1)C 2230a_100015525214_100000212303 [0,2,0,0,0,0|2,0,0]=4 16895 B14R1.26 CCNCCCOc1cccc(c1)Cl 2230a_100011220311_100000210202 [0,2,0,0,0,0|2,0,0]=4 16896 B14R1.26 CCNCCCOc1cccc(c1)Cl 2230a_100015525214_100000742658 [0,2,0,0,0,0|2,0,0]=4 16897 B14R1.26 CCNCCCOc1cccc(c1)Cl 34a_100011220311_100000210202 [0,2,0,0,0,0|2,0,0]=4 16898 B14R1.26 CCNCCCOc1cccc(c1)F 2230a_100102661586_100000210202 [0,2,0,0,0,0|2,0,0]=4 16899 B14R1.26 CCNCCCOc1cccc(c1)F 34a_100102661586_100000210202 [0,2,0,0,0,0|2,0,0]=4 16900 B14R1.26 CCNCCSCc1cccc(c1)Cl 2230a_200011225440_100000210202 [0,2,0,0,0,0|2,0,0]=4 16901 B14R1.26 CCNCCSCc1cccc(c1)Cl 34a_200011225440_100000210202 [0,2,0,0,0,0|2,0,0]=4 16902 B14R1.26 CCNCCSCc1cccc(c1)Cl 7a_200011225440_100000210202 [0,2,0,0,0,0|2,0,0]=4 16903 B14R1.26 CCOCCCNc1cccc(c1)Br 34a_100000210019_100012232248 [0,2,0,0,0,0|2,0,0]=4 16904 B14R1.26 CCOCCCNc1cccc(c1)C 2230a_100000188690_100012232248 [0,2,0,0,0,0|2,0,0]=4 16905 B14R1.26 CCOCCCNc1cccc(c1)C 34a_100000188690_100012232248 [0,2,0,0,0,0|2,0,0]=4 16906 B14R1.26 CCOCCCNc1cccc(c1)Cl 34a_100000185859_100012232248 [0,2,0,0,0,0|2,0,0]=4 16907 B14R1.26 CCOCCCNc1cccc(c1)F 34a_100000210047_100012232248 [0,2,0,0,0,0|2,0,0]=4 16908 B14R1.26 CCOCCCNc1cccc(c1)I 34a_100000211102_100012232248 [0,2,0,0,0,0|2,0,0]=4 16909 B14R1.26 CCOCCCNc1cccc(c1)O 34a_100000210217_100012232248 [0,2,0,0,0,0|2,0,0]=4 16910 B14R1.26 CCOCCCOc1cccc(c1)Br 34a_100000210342_100012232248 [0,2,0,0,0,0|2,0,0]=4 16911 B14R1.26 CCOCCCOc1cccc(c1)Br 7a_100000210342_100012232248 [0,2,0,0,0,0|2,0,0]=4 16912 B14R1.26 CCOCCCOc1cccc(c1)C 34a_100000210337_100012232248 [0,2,0,0,0,0|2,0,0]=4 16913 B14R1.26 CCOCCCOc1cccc(c1)C 34a_100121572206_100000212303 [0,2,0,0,0,0|2,0,0]=4 16914 B14R1.26 CCOCCCOc1cccc(c1)C 7a_100000210337_100012232248 [0,2,0,0,0,0|2,0,0]=4 16915 B14R1.26 CCOCCCOc1cccc(c1)Cl 34a_100000210295_100012232248 [0,2,0,0,0,0|2,0,0]=4 16916 B14R1.26 CCOCCCOc1cccc(c1)Cl 34a_100121572206_100000742658 [0,2,0,0,0,0|2,0,0]=4 16917 B14R1.26 CCOCCCOc1cccc(c1)Cl 7a_100000210295_100012232248 [0,2,0,0,0,0|2,0,0]=4 16918 B14R1.26 CCOCCCOc1cccc(c1)F 34a_100000210426_100012232248 [0,2,0,0,0,0|2,0,0]=4 16919 B14R1.26 CCOCCCOc1cccc(c1)F 34a_200011305857_100000210202 [0,2,0,0,0,0|2,0,0]=4 16920 B14R1.26 CCOCCCOc1cccc(c1)F 7a_100000210426_100012232248 [0,2,0,0,0,0|2,0,0]=4 16921 B14R1.26 CCOCCCOc1cccc(c1)F 7a_200011305857_100000210202 [0,2,0,0,0,0|2,0,0]=4 16922 B14R1.26 CCOCCCOc1cccc(c1)I 34a_100000211634_100012232248 [0,2,0,0,0,0|2,0,0]=4 16923 B14R1.26 CCOCCCOc1cccc(c1)I 7a_100000211634_100012232248 [0,2,0,0,0,0|2,0,0]=4 16924 B14R1.26 CCOCCCOc1cccc(c1)N 34a_100000210217_100012232248 [0,2,0,0,0,0|2,0,0]=4 16925 B14R1.26 CCOCCCSc1cccc(c1)Br 62a_100000691529_100012232248 [0,2,0,0,0,0|2,0,0]=4 16926 B14R1.26 CCOCCCSc1cccc(c1)Br 62a_100012232248_100000691529 [0,2,0,0,0,0|2,0,0]=4 16927 B14R1.26 CCOCCCSc1cccc(c1)C 62a_100011215228_100012232248 [0,2,0,0,0,0|2,0,0]=4 16928 B14R1.26 CCOCCCSc1cccc(c1)C 62a_100012232248_100011215228 [0,2,0,0,0,0|2,0,0]=4 16929 B14R1.26 CCOCCCSc1cccc(c1)Cl 62a_100000699651_100012232248 [0,2,0,0,0,0|2,0,0]=4 16930 B14R1.26 CCOCCCSc1cccc(c1)Cl 62a_100012232248_100000699651 [0,2,0,0,0,0|2,0,0]=4 16931 B14R1.26 CCOCCCSc1cccc(c1)F 62a_100000685547_100012232248 [0,2,0,0,0,0|2,0,0]=4 16932 B14R1.26 CCOCCCSc1cccc(c1)F 62a_100012232248_100000685547 [0,2,0,0,0,0|2,0,0]=4 16933 B14R1.26 CCOCCCSc1cccc(c1)N 62a_100000210019_100012232248 [0,2,0,0,0,0|2,0,0]=4 16934 B14R1.26 CCOCCCSc1cccc(c1)N 62a_100012232248_100000210019 [0,2,0,0,0,0|2,0,0]=4 16935 B14R1.26 CCOCCCSc1cccc(c1)O 62a_100012232248_100000211634 [0,2,0,0,0,0|2,0,0]=4 16936 B14R1.26 CCOCCCSc1cccc(c1)[S] 62a_100012232248_114929384022 [0,2,0,0,0,0|2,0,0]=4 16937 B14R1.26 CCOCCCSc1cccc(c1)[S] 62a_114929384022_100012232248 [0,2,0,0,0,0|2,0,0]=4 16938 B14R1.26 CCOCCNCc1cccc(c1)Br 207a_100011200944_100000210085 [0,2,0,0,0,0|2,0,0]=4 16939 B14R1.26 CCOCCNCc1cccc(c1)Br 2230a_100000174977_100011215890 [0,2,0,0,0,0|2,0,0]=4 16940 B14R1.26 CCOCCNCc1cccc(c1)Br 2230a_102516460346_100000698116 [0,2,0,0,0,0|2,0,0]=4 16941 B14R1.26 CCOCCNCc1cccc(c1)Br 270004a_102516460346_100000210085 [0,2,0,0,0,0|2,0,0]=4 16942 B14R1.26 CCOCCNCc1cccc(c1)Br 34a_100000174977_100000210147 [0,2,0,0,0,0|2,0,0]=4 16943 B14R1.26 CCOCCNCc1cccc(c1)Br 34a_102516460346_100000698116 [0,2,0,0,0,0|2,0,0]=4 16944 B14R1.26 CCOCCNCc1cccc(c1)C 207a_100011200944_100000211157 [0,2,0,0,0,0|2,0,0]=4 16945 B14R1.26 CCOCCNCc1cccc(c1)C 2230a_100000185548_100011215890 [0,2,0,0,0,0|2,0,0]=4 16946 B14R1.26 CCOCCNCc1cccc(c1)C 2230a_102516460346_100000211840 [0,2,0,0,0,0|2,0,0]=4 16947 B14R1.26 CCOCCNCc1cccc(c1)C 270004a_102516460346_100000211157 [0,2,0,0,0,0|2,0,0]=4 16948 B14R1.26 CCOCCNCc1cccc(c1)C 34a_100000185548_100000210147 [0,2,0,0,0,0|2,0,0]=4 16949 B14R1.26 CCOCCNCc1cccc(c1)C 34a_102516460346_100000211840 [0,2,0,0,0,0|2,0,0]=4 16950 B14R1.26 CCOCCNCc1cccc(c1)Cl 207a_100011200944_100000210801 [0,2,0,0,0,0|2,0,0]=4 16951 B14R1.26 CCOCCNCc1cccc(c1)Cl 2230a_100000174878_100011215890 [0,2,0,0,0,0|2,0,0]=4 16952 B14R1.26 CCOCCNCc1cccc(c1)Cl 2230a_102516460346_100000181238 [0,2,0,0,0,0|2,0,0]=4 16953 B14R1.26 CCOCCNCc1cccc(c1)Cl 270004a_102516460346_100000210801 [0,2,0,0,0,0|2,0,0]=4 16954 B14R1.26 CCOCCNCc1cccc(c1)Cl 34a_100000174878_100000210147 [0,2,0,0,0,0|2,0,0]=4 16955 B14R1.26 CCOCCNCc1cccc(c1)Cl 34a_100000719050_100000210202 [0,2,0,0,0,0|2,0,0]=4 16956 B14R1.26 CCOCCNCc1cccc(c1)Cl 34a_102516460346_100000187163 [0,2,0,0,0,0|2,0,0]=4 16957 B14R1.26 CCOCCNCc1cccc(c1)F 207a_100011200944_100000210812 [0,2,0,0,0,0|2,0,0]=4 16958 B14R1.26 CCOCCNCc1cccc(c1)F 2230a_100000174948_100011215890 [0,2,0,0,0,0|2,0,0]=4 16959 B14R1.26 CCOCCNCc1cccc(c1)F 2230a_102516460346_100000230114 [0,2,0,0,0,0|2,0,0]=4 16960 B14R1.26 CCOCCNCc1cccc(c1)F 270004a_102516460346_100000210812 [0,2,0,0,0,0|2,0,0]=4 16961 B14R1.26 CCOCCNCc1cccc(c1)F 34a_100000174948_100000210147 [0,2,0,0,0,0|2,0,0]=4 16962 B14R1.26 CCOCCNCc1cccc(c1)F 34a_102516460346_100000187166 [0,2,0,0,0,0|2,0,0]=4 16963 B14R1.26 CCOCCNCc1cccc(c1)I 207a_100011200944_100000014684 [0,2,0,0,0,0|2,0,0]=4 16964 B14R1.26 CCOCCNCc1cccc(c1)I 2230a_100000106179_100011215890 [0,2,0,0,0,0|2,0,0]=4 16965 B14R1.26 CCOCCNCc1cccc(c1)I 2230a_102516460346_100011218688 [0,2,0,0,0,0|2,0,0]=4 16966 B14R1.26 CCOCCNCc1cccc(c1)I 270004a_102516460346_100000014684 [0,2,0,0,0,0|2,0,0]=4 16967 B14R1.26 CCOCCNCc1cccc(c1)I 34a_100000106179_100000210147 [0,2,0,0,0,0|2,0,0]=4 16968 B14R1.26 CCOCCNCc1cccc(c1)I 34a_102516460346_100011218688 [0,2,0,0,0,0|2,0,0]=4 16969 B14R1.26 CCOCCNCc1cccc(c1)O 207a_100011200944_100000188321 [0,2,0,0,0,0|2,0,0]=4 16970 B14R1.26 CCOCCNCc1cccc(c1)O 2230a_100000743036_100011215890 [0,2,0,0,0,0|2,0,0]=4 16971 B14R1.26 CCOCCNCc1cccc(c1)O 2230a_102516460346_100011660834 [0,2,0,0,0,0|2,0,0]=4 16972 B14R1.26 CCOCCNCc1cccc(c1)O 270004a_102516460346_100000188321 [0,2,0,0,0,0|2,0,0]=4 16973 B14R1.26 CCOCCNCc1cccc(c1)O 34a_100000743036_100000210147 [0,2,0,0,0,0|2,0,0]=4 16974 B14R1.26 CCOCCNCc1cccc(c1)O 34a_102516460346_100011660834 [0,2,0,0,0,0|2,0,0]=4 16975 B14R1.26 CCOCCOCc1cccc(c1)Br 34a_100000210136_100000698116 [0,2,0,0,0,0|2,0,0]=4 16976 B14R1.26 CCOCCOCc1cccc(c1)Br 34a_100000687537_100000210147 [0,2,0,0,0,0|2,0,0]=4 16977 B14R1.26 CCOCCOCc1cccc(c1)Br 7a_100000210136_100000211773 [0,2,0,0,0,0|2,0,0]=4 16978 B14R1.26 CCOCCOCc1cccc(c1)Br 7a_100000687537_100011215890 [0,2,0,0,0,0|2,0,0]=4 16979 B14R1.26 CCOCCOCc1cccc(c1)C 34a_100000210136_100000211840 [0,2,0,0,0,0|2,0,0]=4 16980 B14R1.26 CCOCCOCc1cccc(c1)C 34a_100011217746_100000210147 [0,2,0,0,0,0|2,0,0]=4 16981 B14R1.26 CCOCCOCc1cccc(c1)C 7a_100000210136_100000211840 [0,2,0,0,0,0|2,0,0]=4 16982 B14R1.26 CCOCCOCc1cccc(c1)C 7a_100011217746_100011215890 [0,2,0,0,0,0|2,0,0]=4 16983 B14R1.26 CCOCCOCc1cccc(c1)Cl 34a_100000210136_100000187163 [0,2,0,0,0,0|2,0,0]=4 16984 B14R1.26 CCOCCOCc1cccc(c1)Cl 34a_100000241301_100000210147 [0,2,0,0,0,0|2,0,0]=4 16985 B14R1.26 CCOCCOCc1cccc(c1)Cl 7a_100000210136_100000187163 [0,2,0,0,0,0|2,0,0]=4 16986 B14R1.26 CCOCCOCc1cccc(c1)Cl 7a_100000241301_100011215890 [0,2,0,0,0,0|2,0,0]=4 16987 B14R1.26 CCOCCOCc1cccc(c1)F 34a_100000210136_100000187166 [0,2,0,0,0,0|2,0,0]=4 16988 B14R1.26 CCOCCOCc1cccc(c1)F 34a_100000210976_100000210147 [0,2,0,0,0,0|2,0,0]=4 16989 B14R1.26 CCOCCOCc1cccc(c1)F 7a_100000210136_100000230114 [0,2,0,0,0,0|2,0,0]=4 16990 B14R1.26 CCOCCOCc1cccc(c1)F 7a_100000210976_100011215890 [0,2,0,0,0,0|2,0,0]=4 16991 B14R1.26 CCOCCOCc1cccc(c1)I 34a_100000210136_100011218688 [0,2,0,0,0,0|2,0,0]=4 16992 B14R1.26 CCOCCOCc1cccc(c1)I 34a_100011215336_100000210147 [0,2,0,0,0,0|2,0,0]=4 16993 B14R1.26 CCOCCOCc1cccc(c1)I 7a_100000210136_100011218688 [0,2,0,0,0,0|2,0,0]=4 16994 B14R1.26 CCOCCOCc1cccc(c1)I 7a_100011215336_100011215890 [0,2,0,0,0,0|2,0,0]=4 16995 B14R1.26 CCOCCOCc1cccc(c1)N 34a_100000211919_100000210147 [0,2,0,0,0,0|2,0,0]=4 16996 B14R1.26 CCOCCOCc1cccc(c1)O 34a_100000210136_100011660834 [0,2,0,0,0,0|2,0,0]=4 16997 B14R1.26 CCOCCOCc1cccc(c1)O 7a_100000210136_100000084143 [0,2,0,0,0,0|2,0,0]=4 16998 B14R1.26 CCOCCSCc1cccc(c1)Br 62a_100000210147_100000211773 [0,2,0,0,0,0|2,0,0]=4 16999 B14R1.26 CCOCCSCc1cccc(c1)Br 62a_100000211773_100011215890 [0,2,0,0,0,0|2,0,0]=4 17000 B14R1.26 CCOCCSCc1cccc(c1)C 34a_100011212950_100000210202 [0,2,0,0,0,0|2,0,0]=4 17001 B14R1.26 CCOCCSCc1cccc(c1)C 62a_100000210147_100000211840 [0,2,0,0,0,0|2,0,0]=4 17002 B14R1.26 CCOCCSCc1cccc(c1)C 62a_100000211840_100011215890 [0,2,0,0,0,0|2,0,0]=4 17003 B14R1.26 CCOCCSCc1cccc(c1)C 7a_100011212950_100000210202 [0,2,0,0,0,0|2,0,0]=4 17004 B14R1.26 CCOCCSCc1cccc(c1)Cl 62a_100000187163_100011215890 [0,2,0,0,0,0|2,0,0]=4 17005 B14R1.26 CCOCCSCc1cccc(c1)Cl 62a_100000210147_100000187163 [0,2,0,0,0,0|2,0,0]=4 17006 B14R1.26 CCOCCSCc1cccc(c1)F 34a_100011212928_100000210202 [0,2,0,0,0,0|2,0,0]=4 17007 B14R1.26 CCOCCSCc1cccc(c1)F 62a_100000210147_100000230114 [0,2,0,0,0,0|2,0,0]=4 17008 B14R1.26 CCOCCSCc1cccc(c1)F 62a_100000230114_100011215890 [0,2,0,0,0,0|2,0,0]=4 17009 B14R1.26 CCOCCSCc1cccc(c1)F 7a_100011212928_100000210202 [0,2,0,0,0,0|2,0,0]=4 17010 B14R1.26 CCOCCSCc1cccc(c1)I 62a_100000210147_100011218688 [0,2,0,0,0,0|2,0,0]=4 17011 B14R1.26 CCOCCSCc1cccc(c1)I 62a_100011218688_100011215890 [0,2,0,0,0,0|2,0,0]=4 17012 B14R1.26 CCOCCSCc1cccc(c1)O 62a_100000210147_100011660834 [0,2,0,0,0,0|2,0,0]=4 17013 B14R1.26 CCOCCSCc1cccc(c1)O 62a_100011660834_100011215890 [0,2,0,0,0,0|2,0,0]=4 17014 B14R1.26 CCOCSCCc1cccc(c1)Br 62a_100000739092_100011740638 [0,2,0,0,0,0|2,0,0]=4 17015 B14R1.26 CCOCSCCc1cccc(c1)Br 62a_100011740638_100000739092 [0,2,0,0,0,0|2,0,0]=4 17016 B14R1.26 CCOCSCCc1cccc(c1)C 62a_100000739092_100011713685 [0,2,0,0,0,0|2,0,0]=4 17017 B14R1.26 CCOCSCCc1cccc(c1)C 62a_100011713685_100000739092 [0,2,0,0,0,0|2,0,0]=4 17018 B14R1.26 CCOCSCCc1cccc(c1)Cl 62a_100000739092_100011713710 [0,2,0,0,0,0|2,0,0]=4 17019 B14R1.26 CCOCSCCc1cccc(c1)Cl 62a_100011713710_100000739092 [0,2,0,0,0,0|2,0,0]=4 17020 B14R1.26 CCOCSCCc1cccc(c1)F 62a_100000739092_100011217235 [0,2,0,0,0,0|2,0,0]=4 17021 B14R1.26 CCOCSCCc1cccc(c1)F 62a_100011217235_100000739092 [0,2,0,0,0,0|2,0,0]=4 17022 B14R1.26 CCSCCCOc1cccc(c1)C 62a_100000210202_100000212303 [0,2,0,0,0,0|2,0,0]=4 17023 B14R1.26 CCSCCCOc1cccc(c1)Cl 62a_100000210202_100000742658 [0,2,0,0,0,0|2,0,0]=4 17024 B14R1.26 CCSCCCOc1cccc(c1)Cl 62a_100000742658_100000210202 [0,2,0,0,0,0|2,0,0]=4 17025 B14R1.26 CCSCCNCc1cccc(c1)Br 207a_100000106463_100000210085 [0,2,0,0,0,0|2,0,0]=4 17026 B14R1.26 CCSCCNCc1cccc(c1)Br 2230a_100000106463_100000698116 [0,2,0,0,0,0|2,0,0]=4 17027 B14R1.26 CCSCCNCc1cccc(c1)Br 2230a_100000174977_100000757381 [0,2,0,0,0,0|2,0,0]=4 17028 B14R1.26 CCSCCNCc1cccc(c1)Br 270004a_100000106463_100000210085 [0,2,0,0,0,0|2,0,0]=4 17029 B14R1.26 CCSCCNCc1cccc(c1)Br 34a_100000174977_100000757381 [0,2,0,0,0,0|2,0,0]=4 17030 B14R1.26 CCSCCNCc1cccc(c1)C 207a_100000106463_100000211157 [0,2,0,0,0,0|2,0,0]=4 17031 B14R1.26 CCSCCNCc1cccc(c1)C 2230a_100000106463_100000211840 [0,2,0,0,0,0|2,0,0]=4 17032 B14R1.26 CCSCCNCc1cccc(c1)C 2230a_100000185548_100000757381 [0,2,0,0,0,0|2,0,0]=4 17033 B14R1.26 CCSCCNCc1cccc(c1)C 270004a_100000106463_100000211157 [0,2,0,0,0,0|2,0,0]=4 17034 B14R1.26 CCSCCNCc1cccc(c1)C 34a_100000185548_100000757381 [0,2,0,0,0,0|2,0,0]=4 17035 B14R1.26 CCSCCNCc1cccc(c1)Cl 207a_100000106463_100000210801 [0,2,0,0,0,0|2,0,0]=4 17036 B14R1.26 CCSCCNCc1cccc(c1)Cl 2230a_100000106463_100000181238 [0,2,0,0,0,0|2,0,0]=4 17037 B14R1.26 CCSCCNCc1cccc(c1)Cl 2230a_100000174878_100000757381 [0,2,0,0,0,0|2,0,0]=4 17038 B14R1.26 CCSCCNCc1cccc(c1)Cl 270004a_100000106463_100000210801 [0,2,0,0,0,0|2,0,0]=4 17039 B14R1.26 CCSCCNCc1cccc(c1)Cl 34a_100000174878_100000757381 [0,2,0,0,0,0|2,0,0]=4 17040 B14R1.26 CCSCCNCc1cccc(c1)F 207a_100000106463_100000210812 [0,2,0,0,0,0|2,0,0]=4 17041 B14R1.26 CCSCCNCc1cccc(c1)F 2230a_100000106463_100000230114 [0,2,0,0,0,0|2,0,0]=4 17042 B14R1.26 CCSCCNCc1cccc(c1)F 2230a_100000174948_100000757381 [0,2,0,0,0,0|2,0,0]=4 17043 B14R1.26 CCSCCNCc1cccc(c1)F 270004a_100000106463_100000210812 [0,2,0,0,0,0|2,0,0]=4 17044 B14R1.26 CCSCCNCc1cccc(c1)F 34a_100000174948_100000757381 [0,2,0,0,0,0|2,0,0]=4 17045 B14R1.26 CCSCCNCc1cccc(c1)I 207a_100000106463_100000014684 [0,2,0,0,0,0|2,0,0]=4 17046 B14R1.26 CCSCCNCc1cccc(c1)I 2230a_100000106179_100000757381 [0,2,0,0,0,0|2,0,0]=4 17047 B14R1.26 CCSCCNCc1cccc(c1)I 2230a_100000106463_100011218688 [0,2,0,0,0,0|2,0,0]=4 17048 B14R1.26 CCSCCNCc1cccc(c1)I 270004a_100000106463_100000014684 [0,2,0,0,0,0|2,0,0]=4 17049 B14R1.26 CCSCCNCc1cccc(c1)I 34a_100000106179_100000757381 [0,2,0,0,0,0|2,0,0]=4 17050 B14R1.26 CCSCCNCc1cccc(c1)O 207a_100000106463_100000188321 [0,2,0,0,0,0|2,0,0]=4 17051 B14R1.26 CCSCCNCc1cccc(c1)O 2230a_100000106463_100011660834 [0,2,0,0,0,0|2,0,0]=4 17052 B14R1.26 CCSCCNCc1cccc(c1)O 2230a_100000743036_100000757381 [0,2,0,0,0,0|2,0,0]=4 17053 B14R1.26 CCSCCNCc1cccc(c1)O 270004a_100000106463_100000188321 [0,2,0,0,0,0|2,0,0]=4 17054 B14R1.26 CCSCCNCc1cccc(c1)O 34a_100000743036_100000757381 [0,2,0,0,0,0|2,0,0]=4 17055 B14R1.26 CCSCCOCc1cccc(c1)Br 34a_100000212035_100000698116 [0,2,0,0,0,0|2,0,0]=4 17056 B14R1.26 CCSCCOCc1cccc(c1)Br 34a_100000687537_100000757381 [0,2,0,0,0,0|2,0,0]=4 17057 B14R1.26 CCSCCOCc1cccc(c1)Br 7a_100000212035_100000211773 [0,2,0,0,0,0|2,0,0]=4 17058 B14R1.26 CCSCCOCc1cccc(c1)Br 7a_100000687537_100000757381 [0,2,0,0,0,0|2,0,0]=4 17059 B14R1.26 CCSCCOCc1cccc(c1)C 34a_100000212035_100000211840 [0,2,0,0,0,0|2,0,0]=4 17060 B14R1.26 CCSCCOCc1cccc(c1)C 34a_100011217746_100000757381 [0,2,0,0,0,0|2,0,0]=4 17061 B14R1.26 CCSCCOCc1cccc(c1)C 7a_100000212035_100000211840 [0,2,0,0,0,0|2,0,0]=4 17062 B14R1.26 CCSCCOCc1cccc(c1)C 7a_100011217746_100000757381 [0,2,0,0,0,0|2,0,0]=4 17063 B14R1.26 CCSCCOCc1cccc(c1)Cl 34a_100000212035_100000187163 [0,2,0,0,0,0|2,0,0]=4 17064 B14R1.26 CCSCCOCc1cccc(c1)Cl 34a_100000241301_100000757381 [0,2,0,0,0,0|2,0,0]=4 17065 B14R1.26 CCSCCOCc1cccc(c1)Cl 7a_100000212035_100000187163 [0,2,0,0,0,0|2,0,0]=4 17066 B14R1.26 CCSCCOCc1cccc(c1)Cl 7a_100000241301_100000757381 [0,2,0,0,0,0|2,0,0]=4 17067 B14R1.26 CCSCCOCc1cccc(c1)F 34a_100000210976_100000757381 [0,2,0,0,0,0|2,0,0]=4 17068 B14R1.26 CCSCCOCc1cccc(c1)F 34a_100000212035_100000187166 [0,2,0,0,0,0|2,0,0]=4 17069 B14R1.26 CCSCCOCc1cccc(c1)F 7a_100000210976_100000757381 [0,2,0,0,0,0|2,0,0]=4 17070 B14R1.26 CCSCCOCc1cccc(c1)F 7a_100000212035_100000230114 [0,2,0,0,0,0|2,0,0]=4 17071 B14R1.26 CCSCCOCc1cccc(c1)I 34a_100000212035_100011218688 [0,2,0,0,0,0|2,0,0]=4 17072 B14R1.26 CCSCCOCc1cccc(c1)I 34a_100011215336_100000757381 [0,2,0,0,0,0|2,0,0]=4 17073 B14R1.26 CCSCCOCc1cccc(c1)I 7a_100000212035_100011218688 [0,2,0,0,0,0|2,0,0]=4 17074 B14R1.26 CCSCCOCc1cccc(c1)I 7a_100011215336_100000757381 [0,2,0,0,0,0|2,0,0]=4 17075 B14R1.26 CCSCCOCc1cccc(c1)N 34a_100000211919_100000757381 [0,2,0,0,0,0|2,0,0]=4 17076 B14R1.26 CCSCCOCc1cccc(c1)O 34a_100000212035_100011660834 [0,2,0,0,0,0|2,0,0]=4 17077 B14R1.26 CCSCCOCc1cccc(c1)O 7a_100000212035_100000084143 [0,2,0,0,0,0|2,0,0]=4 17078 B14R1.26 CCSCCSCc1cccc(c1)Br 62a_100000211773_100000757381 [0,2,0,0,0,0|2,0,0]=4 17079 B14R1.26 CCSCCSCc1cccc(c1)Br 62a_100000757381_100000211773 [0,2,0,0,0,0|2,0,0]=4 17080 B14R1.26 CCSCCSCc1cccc(c1)C 62a_100000211840_100000757381 [0,2,0,0,0,0|2,0,0]=4 17081 B14R1.26 CCSCCSCc1cccc(c1)C 62a_100000757381_100000211840 [0,2,0,0,0,0|2,0,0]=4 17082 B14R1.26 CCSCCSCc1cccc(c1)Cl 62a_100000187163_100000757381 [0,2,0,0,0,0|2,0,0]=4 17083 B14R1.26 CCSCCSCc1cccc(c1)Cl 62a_100000757381_100000187163 [0,2,0,0,0,0|2,0,0]=4 17084 B14R1.26 CCSCCSCc1cccc(c1)F 62a_100000230114_100000757381 [0,2,0,0,0,0|2,0,0]=4 17085 B14R1.26 CCSCCSCc1cccc(c1)F 62a_100000757381_100000230114 [0,2,0,0,0,0|2,0,0]=4 17086 B14R1.26 CCSCCSCc1cccc(c1)I 62a_100000757381_100011218688 [0,2,0,0,0,0|2,0,0]=4 17087 B14R1.26 CCSCCSCc1cccc(c1)I 62a_100011218688_100000757381 [0,2,0,0,0,0|2,0,0]=4 17088 B14R1.26 CCSCCSCc1cccc(c1)O 62a_100000757381_100011660834 [0,2,0,0,0,0|2,0,0]=4 17089 B14R1.26 CCSCCSCc1cccc(c1)O 62a_100011660834_100000757381 [0,2,0,0,0,0|2,0,0]=4 17090 B14R1.26 CNCCCOCc1cccc(c1)Br 34a_100000213112_100000698116 [0,2,0,0,0,0|2,0,0]=4 17091 B14R1.26 CNCCCOCc1cccc(c1)C 34a_100000213112_100000211840 [0,2,0,0,0,0|2,0,0]=4 17092 B14R1.26 CNCCCOCc1cccc(c1)Cl 34a_100000213112_100000187163 [0,2,0,0,0,0|2,0,0]=4 17093 B14R1.26 CNCCCOCc1cccc(c1)F 34a_100000213112_100000187166 [0,2,0,0,0,0|2,0,0]=4 17094 B14R1.26 CNCCCOCc1cccc(c1)I 34a_100000213112_100011218688 [0,2,0,0,0,0|2,0,0]=4 17095 B14R1.26 CNCCCOCc1cccc(c1)O 34a_100000213112_100011660834 [0,2,0,0,0,0|2,0,0]=4 17096 B14R1.26 CNCCCSCc1cccc(c1)C 2230a_100011750099_200000210301 [0,2,0,0,0,0|2,0,0]=4 17097 B14R1.26 CNCCCSCc1cccc(c1)C 34a_100011750099_200000210301 [0,2,0,0,0,0|2,0,0]=4 17098 B14R1.26 CNCCCSCc1cccc(c1)C 7a_100011750099_200000210301 [0,2,0,0,0,0|2,0,0]=4 17099 B14R1.26 CNCCCSCc1cccc(c1)Cl 2230a_100012022077_200000210301 [0,2,0,0,0,0|2,0,0]=4 17100 B14R1.26 CNCCCSCc1cccc(c1)Cl 34a_100012022077_200000210301 [0,2,0,0,0,0|2,0,0]=4 17101 B14R1.26 CNCCCSCc1cccc(c1)Cl 7a_100012022077_200000210301 [0,2,0,0,0,0|2,0,0]=4 17102 B14R1.26 COCCCCNc1cccc(c1)Br 34a_100000210019_100000755781 [0,2,0,0,0,0|1,0,0]=3 17103 B14R1.26 COCCCCNc1cccc(c1)C 2230a_100000188690_100000730899 [0,2,0,0,0,0|1,0,0]=3 17104 B14R1.26 COCCCCNc1cccc(c1)C 34a_100000188690_100000755781 [0,2,0,0,0,0|1,0,0]=3 17105 B14R1.26 COCCCCNc1cccc(c1)Cl 34a_100000185859_100000755781 [0,2,0,0,0,0|1,0,0]=3 17106 B14R1.26 COCCCCNc1cccc(c1)F 34a_100000210047_100000755781 [0,2,0,0,0,0|1,0,0]=3 17107 B14R1.26 COCCCCNc1cccc(c1)I 34a_100000211102_100000755781 [0,2,0,0,0,0|1,0,0]=3 17108 B14R1.26 COCCCCNc1cccc(c1)O 34a_100000210217_100000755781 [0,2,0,0,0,0|1,0,0]=3 17109 B14R1.26 COCCCCOc1cc[nH]c(=O)c1 34a_100000032262_100000755781 [0,2,0,0,0,0|2,0,0]=4 17110 B14R1.26 COCCCCOc1ccc[n+](c1)[O-] 34a_100000039713_100000755781 [0,2,0,0,0,0|2,0,0]=4 17111 B14R1.26 COCCCCOc1ccc[n+](c1)[O-] 7a_100000039713_100000730899 [0,2,0,0,0,0|2,0,0]=4 17112 B14R1.26 COCCCCOc1cccc(=O)[nH]1 34a_100000033347_100000755781 [0,2,0,0,0,0|2,0,0]=4 17113 B14R1.26 COCCCCOc1cccc(c1)Br 34a_100000210342_100000755781 [0,2,0,0,0,0|1,0,0]=3 17114 B14R1.26 COCCCCOc1cccc(c1)Br 7a_100000210342_100000730899 [0,2,0,0,0,0|1,0,0]=3 17115 B14R1.26 COCCCCOc1cccc(c1)C 34a_100000210337_100000755781 [0,2,0,0,0,0|1,0,0]=3 17116 B14R1.26 COCCCCOc1cccc(c1)C 7a_100000210337_100000730899 [0,2,0,0,0,0|1,0,0]=3 17117 B14R1.26 COCCCCOc1cccc(c1)Cl 34a_100000210295_100000755781 [0,2,0,0,0,0|1,0,0]=3 17118 B14R1.26 COCCCCOc1cccc(c1)Cl 7a_100000210295_100000730899 [0,2,0,0,0,0|1,0,0]=3 17119 B14R1.26 COCCCCOc1cccc(c1)F 34a_100000210426_100000755781 [0,2,0,0,0,0|1,0,0]=3 17120 B14R1.26 COCCCCOc1cccc(c1)F 7a_100000210426_100000730899 [0,2,0,0,0,0|1,0,0]=3 17121 B14R1.26 COCCCCOc1cccc(c1)I 34a_100000211634_100000755781 [0,2,0,0,0,0|1,0,0]=3 17122 B14R1.26 COCCCCOc1cccc(c1)I 7a_100000211634_100000730899 [0,2,0,0,0,0|1,0,0]=3 17123 B14R1.26 COCCCCOc1cccc(c1)N 34a_100000210217_100000755781 [0,2,0,0,0,0|1,0,0]=3 17124 B14R1.26 COCCCCOc1cccc(n1)F 34a_100011432558_100000755781 [0,2,0,0,0,0|2,0,0]=4 17125 B14R1.26 COCCCCOc1ccnc(c1)C 34a_100000688365_100000755781 [0,2,0,0,0,0|2,0,0]=4 17126 B14R1.26 COCCCCOc1ccnc(c1)Cl 34a_100000762945_100000755781 [0,2,0,0,0,0|2,0,0]=4 17127 B14R1.26 COCCCCOc1ccnc(c1)F 34a_100000732698_100000755781 [0,2,0,0,0,0|2,0,0]=4 17128 B14R1.26 COCCCCOc1ccnc(c1)N 34a_100011834064_100000755781 [0,2,0,0,0,0|2,0,0]=4 17129 B14R1.26 COCCCCOc1cncc(c1)Br 34a_100000754920_100000755781 [0,2,0,0,0,0|2,0,0]=4 17130 B14R1.26 COCCCCOc1cncc(c1)Br 7a_100000754920_100000730899 [0,2,0,0,0,0|2,0,0]=4 17131 B14R1.26 COCCCCOc1cncc(c1)C 34a_100011830280_100000755781 [0,2,0,0,0,0|2,0,0]=4 17132 B14R1.26 COCCCCOc1cncc(c1)C 7a_100011830280_100000730899 [0,2,0,0,0,0|2,0,0]=4 17133 B14R1.26 COCCCCOc1cncc(c1)Cl 7a_100000032511_100000730899 [0,2,0,0,0,0|2,0,0]=4 17134 B14R1.26 COCCCCOc1cncc(c1)F 34a_100011830296_100000755781 [0,2,0,0,0,0|2,0,0]=4 17135 B14R1.26 COCCCCOc1cncc(c1)F 7a_100011830296_100000730899 [0,2,0,0,0,0|2,0,0]=4 17136 B14R1.26 COCCCCOc1cncc(c1)N 34a_100011997051_100000755781 [0,2,0,0,0,0|2,0,0]=4 17137 B14R1.26 COCCCCSc1cc(=O)cc[nH]1 62a_100009817434_100000730899 [0,2,0,0,0,0|2,0,0]=4 17138 B14R1.26 COCCCCSc1cc(ccn1)C 62a_100000730899_100000750283 [0,2,0,0,0,0|2,0,0]=4 17139 B14R1.26 COCCCCSc1cc(ccn1)C 62a_100000750283_100000730899 [0,2,0,0,0,0|2,0,0]=4 17140 B14R1.26 COCCCCSc1cc(ccn1)Cl 62a_100000730899_100010167805 [0,2,0,0,0,0|2,0,0]=4 17141 B14R1.26 COCCCCSc1cc(ccn1)Cl 62a_100010167805_100000730899 [0,2,0,0,0,0|2,0,0]=4 17142 B14R1.26 COCCCCSc1cc(ccn1)F 62a_100000730899_100000764206 [0,2,0,0,0,0|2,0,0]=4 17143 B14R1.26 COCCCCSc1cc(ccn1)F 62a_100000764206_100000730899 [0,2,0,0,0,0|2,0,0]=4 17144 B14R1.26 COCCCCSc1cc(ccn1)N 62a_100000730899_100009814236 [0,2,0,0,0,0|2,0,0]=4 17145 B14R1.26 COCCCCSc1cc(ccn1)N 62a_100009814236_100000730899 [0,2,0,0,0,0|2,0,0]=4 17146 B14R1.26 COCCCCSc1cc(ccn1)O 62a_100000730899_100000762945 [0,2,0,0,0,0|2,0,0]=4 17147 B14R1.26 COCCCCSc1cc[nH]c(=O)c1 62a_100000730899_100009816521 [0,2,0,0,0,0|2,0,0]=4 17148 B14R1.26 COCCCCSc1cc[nH]c(=O)c1 62a_100009816521_100000730899 [0,2,0,0,0,0|2,0,0]=4 17149 B14R1.26 COCCCCSc1ccc[n+](c1)C 62a_100000730899_100009996589 [0,2,0,0,0,0|2,0,0]=4 17150 B14R1.26 COCCCCSc1ccc[n+](c1)C 62a_100009996589_100000730899 [0,2,0,0,0,0|2,0,0]=4 17151 B14R1.26 COCCCCSc1ccc[n+](c1)[O-] 62a_100000730899_100009815978 [0,2,0,0,0,0|2,0,0]=4 17152 B14R1.26 COCCCCSc1cccc(=O)[nH]1 62a_100000730899_100000752884 [0,2,0,0,0,0|2,0,0]=4 17153 B14R1.26 COCCCCSc1cccc(c1)Br 62a_100000691529_100000730899 [0,2,0,0,0,0|1,0,0]=3 17154 B14R1.26 COCCCCSc1cccc(c1)Br 62a_100000730899_100000691529 [0,2,0,0,0,0|1,0,0]=3 17155 B14R1.26 COCCCCSc1cccc(c1)C 62a_100000730899_100011215228 [0,2,0,0,0,0|1,0,0]=3 17156 B14R1.26 COCCCCSc1cccc(c1)C 62a_100011215228_100000730899 [0,2,0,0,0,0|1,0,0]=3 17157 B14R1.26 COCCCCSc1cccc(c1)Cl 62a_100000699651_100000730899 [0,2,0,0,0,0|1,0,0]=3 17158 B14R1.26 COCCCCSc1cccc(c1)Cl 62a_100000730899_100000699651 [0,2,0,0,0,0|1,0,0]=3 17159 B14R1.26 COCCCCSc1cccc(c1)F 62a_100000685547_100000730899 [0,2,0,0,0,0|1,0,0]=3 17160 B14R1.26 COCCCCSc1cccc(c1)F 62a_100000730899_100000685547 [0,2,0,0,0,0|1,0,0]=3 17161 B14R1.26 COCCCCSc1cccc(c1)N 62a_100000210019_100000730899 [0,2,0,0,0,0|1,0,0]=3 17162 B14R1.26 COCCCCSc1cccc(c1)N 62a_100000730899_100000210019 [0,2,0,0,0,0|1,0,0]=3 17163 B14R1.26 COCCCCSc1cccc(c1)O 62a_100000730899_100000211634 [0,2,0,0,0,0|1,0,0]=3 17164 B14R1.26 COCCCCSc1cccc(c1)[S] 62a_100000730899_114929384022 [0,2,0,0,0,0|1,0,0]=3 17165 B14R1.26 COCCCCSc1cccc(c1)[S] 62a_114929384022_100000730899 [0,2,0,0,0,0|1,0,0]=3 17166 B14R1.26 COCCCCSc1cccc(n1)Br 62a_100000684672_100000730899 [0,2,0,0,0,0|2,0,0]=4 17167 B14R1.26 COCCCCSc1cccc(n1)Br 62a_100000730899_100000684672 [0,2,0,0,0,0|2,0,0]=4 17168 B14R1.26 COCCCCSc1cccc(n1)C 62a_100000730899_100000742759 [0,2,0,0,0,0|2,0,0]=4 17169 B14R1.26 COCCCCSc1cccc(n1)C 62a_100000742759_100000730899 [0,2,0,0,0,0|2,0,0]=4 17170 B14R1.26 COCCCCSc1cccc(n1)Cl 62a_100000051397_100000730899 [0,2,0,0,0,0|2,0,0]=4 17171 B14R1.26 COCCCCSc1cccc(n1)Cl 62a_100000730899_100000051397 [0,2,0,0,0,0|2,0,0]=4 17172 B14R1.26 COCCCCSc1cccc(n1)F 62a_100000730899_100009815982 [0,2,0,0,0,0|2,0,0]=4 17173 B14R1.26 COCCCCSc1cccc(n1)F 62a_100009815982_100000730899 [0,2,0,0,0,0|2,0,0]=4 17174 B14R1.26 COCCCCSc1cccc(n1)N 62a_100000730899_100000740741 [0,2,0,0,0,0|2,0,0]=4 17175 B14R1.26 COCCCCSc1cccc(n1)N 62a_100000740741_100000730899 [0,2,0,0,0,0|2,0,0]=4 17176 B14R1.26 COCCCCSc1ccnc(c1)Br 62a_100000730899_100009814637 [0,2,0,0,0,0|2,0,0]=4 17177 B14R1.26 COCCCCSc1ccnc(c1)Br 62a_100009814637_100000730899 [0,2,0,0,0,0|2,0,0]=4 17178 B14R1.26 COCCCCSc1ccnc(c1)C 62a_100000730899_100000758586 [0,2,0,0,0,0|2,0,0]=4 17179 B14R1.26 COCCCCSc1ccnc(c1)C 62a_100000758586_100000730899 [0,2,0,0,0,0|2,0,0]=4 17180 B14R1.26 COCCCCSc1ccnc(c1)Cl 62a_100000035001_100000730899 [0,2,0,0,0,0|2,0,0]=4 17181 B14R1.26 COCCCCSc1ccnc(c1)Cl 62a_100000730899_100000035001 [0,2,0,0,0,0|2,0,0]=4 17182 B14R1.26 COCCCCSc1ccnc(c1)F 62a_100000730899_100009816116 [0,2,0,0,0,0|2,0,0]=4 17183 B14R1.26 COCCCCSc1ccnc(c1)F 62a_100009816116_100000730899 [0,2,0,0,0,0|2,0,0]=4 17184 B14R1.26 COCCCCSc1ccnc(c1)N 62a_100000049665_100000730899 [0,2,0,0,0,0|2,0,0]=4 17185 B14R1.26 COCCCCSc1ccnc(c1)N 62a_100000730899_100000049665 [0,2,0,0,0,0|2,0,0]=4 17186 B14R1.26 COCCCCSc1cncc(c1)Br 62a_100000728054_100000730899 [0,2,0,0,0,0|2,0,0]=4 17187 B14R1.26 COCCCCSc1cncc(c1)Br 62a_100000730899_100000728054 [0,2,0,0,0,0|2,0,0]=4 17188 B14R1.26 COCCCCSc1cncc(c1)C 62a_100000730899_100000760492 [0,2,0,0,0,0|2,0,0]=4 17189 B14R1.26 COCCCCSc1cncc(c1)C 62a_100000760492_100000730899 [0,2,0,0,0,0|2,0,0]=4 17190 B14R1.26 COCCCCSc1cncc(c1)Cl 62a_100000049639_100000730899 [0,2,0,0,0,0|2,0,0]=4 17191 B14R1.26 COCCCCSc1cncc(c1)Cl 62a_100000730899_100000049639 [0,2,0,0,0,0|2,0,0]=4 17192 B14R1.26 COCCCCSc1cncc(c1)F 62a_100000730899_100000744099 [0,2,0,0,0,0|2,0,0]=4 17193 B14R1.26 COCCCCSc1cncc(c1)F 62a_100000744099_100000730899 [0,2,0,0,0,0|2,0,0]=4 17194 B14R1.26 COCCCCSc1cncc(c1)N 62a_100000687067_100000730899 [0,2,0,0,0,0|2,0,0]=4 17195 B14R1.26 COCCCCSc1cncc(c1)N 62a_100000730899_100000687067 [0,2,0,0,0,0|2,0,0]=4 17196 B14R1.26 COCCCCSc1cncc(c1)O 62a_100000730899_100000754920 [0,2,0,0,0,0|2,0,0]=4 17197 B14R1.26 COCCCCSc1cncc(c1)O 62a_100000754920_100000730899 [0,2,0,0,0,0|2,0,0]=4 17198 B14R1.26 COCCCNCc1cc(ccn1)Br 270004a_100150723488_100009818557 [0,2,0,0,0,0|2,0,0]=4 17199 B14R1.26 COCCCNCc1cc(ccn1)Br 34a_100150723488_100010173614 [0,2,0,0,0,0|2,0,0]=4 17200 B14R1.26 COCCCNCc1cc(ccn1)C 207a_100150723488_100011361488 [0,2,0,0,0,0|2,0,0]=4 17201 B14R1.26 COCCCNCc1cc(ccn1)C 270004a_100150723488_100011361488 [0,2,0,0,0,0|2,0,0]=4 17202 B14R1.26 COCCCNCc1cc(ccn1)C 34a_100150723488_100000718516 [0,2,0,0,0,0|2,0,0]=4 17203 B14R1.26 COCCCNCc1cc(ccn1)Cl 270004a_100150723488_100011998288 [0,2,0,0,0,0|2,0,0]=4 17204 B14R1.26 COCCCNCc1cc(ccn1)Cl 34a_100150723488_100016988179 [0,2,0,0,0,0|2,0,0]=4 17205 B14R1.26 COCCCNCc1cccc(=O)[nH]1 207a_100150723488_100011935257 [0,2,0,0,0,0|2,0,0]=4 17206 B14R1.26 COCCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000740836 [0,2,0,0,0,0|2,0,0]=4 17207 B14R1.26 COCCCNCc1cccc(c1)Br 207a_100150723488_100000210085 [0,2,0,0,0,0|1,0,0]=3 17208 B14R1.26 COCCCNCc1cccc(c1)Br 2230a_100000174977_100000740836 [0,2,0,0,0,0|1,0,0]=3 17209 B14R1.26 COCCCNCc1cccc(c1)Br 270004a_100150723488_100000210085 [0,2,0,0,0,0|1,0,0]=3 17210 B14R1.26 COCCCNCc1cccc(c1)Br 34a_100000174977_100000740836 [0,2,0,0,0,0|1,0,0]=3 17211 B14R1.26 COCCCNCc1cccc(c1)Br 34a_100150723488_100000698116 [0,2,0,0,0,0|1,0,0]=3 17212 B14R1.26 COCCCNCc1cccc(c1)C 207a_100150723488_100000211157 [0,2,0,0,0,0|1,0,0]=3 17213 B14R1.26 COCCCNCc1cccc(c1)C 2230a_100000185548_100000740836 [0,2,0,0,0,0|1,0,0]=3 17214 B14R1.26 COCCCNCc1cccc(c1)C 270004a_100150723488_100000211157 [0,2,0,0,0,0|1,0,0]=3 17215 B14R1.26 COCCCNCc1cccc(c1)C 34a_100000185548_100000740836 [0,2,0,0,0,0|1,0,0]=3 17216 B14R1.26 COCCCNCc1cccc(c1)C 34a_100150723488_100000211840 [0,2,0,0,0,0|1,0,0]=3 17217 B14R1.26 COCCCNCc1cccc(c1)Cl 207a_100150723488_100000210801 [0,2,0,0,0,0|1,0,0]=3 17218 B14R1.26 COCCCNCc1cccc(c1)Cl 2230a_100000174878_100000740836 [0,2,0,0,0,0|1,0,0]=3 17219 B14R1.26 COCCCNCc1cccc(c1)Cl 270004a_100150723488_100000210801 [0,2,0,0,0,0|1,0,0]=3 17220 B14R1.26 COCCCNCc1cccc(c1)Cl 34a_100000174878_100000740836 [0,2,0,0,0,0|1,0,0]=3 17221 B14R1.26 COCCCNCc1cccc(c1)Cl 34a_100150723488_100000187163 [0,2,0,0,0,0|1,0,0]=3 17222 B14R1.26 COCCCNCc1cccc(c1)F 207a_100150723488_100000210812 [0,2,0,0,0,0|1,0,0]=3 17223 B14R1.26 COCCCNCc1cccc(c1)F 2230a_100000174948_100000740836 [0,2,0,0,0,0|1,0,0]=3 17224 B14R1.26 COCCCNCc1cccc(c1)F 270004a_100150723488_100000210812 [0,2,0,0,0,0|1,0,0]=3 17225 B14R1.26 COCCCNCc1cccc(c1)F 34a_100000174948_100000740836 [0,2,0,0,0,0|1,0,0]=3 17226 B14R1.26 COCCCNCc1cccc(c1)F 34a_100150723488_100000187166 [0,2,0,0,0,0|1,0,0]=3 17227 B14R1.26 COCCCNCc1cccc(c1)I 207a_100150723488_100000014684 [0,2,0,0,0,0|1,0,0]=3 17228 B14R1.26 COCCCNCc1cccc(c1)I 2230a_100000106179_100000740836 [0,2,0,0,0,0|1,0,0]=3 17229 B14R1.26 COCCCNCc1cccc(c1)I 270004a_100150723488_100000014684 [0,2,0,0,0,0|1,0,0]=3 17230 B14R1.26 COCCCNCc1cccc(c1)I 34a_100000106179_100000740836 [0,2,0,0,0,0|1,0,0]=3 17231 B14R1.26 COCCCNCc1cccc(c1)I 34a_100150723488_100011218688 [0,2,0,0,0,0|1,0,0]=3 17232 B14R1.26 COCCCNCc1cccc(c1)O 207a_100150723488_100000188321 [0,2,0,0,0,0|1,0,0]=3 17233 B14R1.26 COCCCNCc1cccc(c1)O 2230a_100000743036_100000740836 [0,2,0,0,0,0|1,0,0]=3 17234 B14R1.26 COCCCNCc1cccc(c1)O 270004a_100150723488_100000188321 [0,2,0,0,0,0|1,0,0]=3 17235 B14R1.26 COCCCNCc1cccc(c1)O 34a_100000743036_100000740836 [0,2,0,0,0,0|1,0,0]=3 17236 B14R1.26 COCCCNCc1cccc(c1)O 34a_100150723488_100011660834 [0,2,0,0,0,0|1,0,0]=3 17237 B14R1.26 COCCCNCc1cccc(n1)Br 2230a_100016987751_100000740836 [0,2,0,0,0,0|2,0,0]=4 17238 B14R1.26 COCCCNCc1cccc(n1)Br 270004a_100150723488_100000688028 [0,2,0,0,0,0|2,0,0]=4 17239 B14R1.26 COCCCNCc1cccc(n1)Br 34a_100150723488_100009889011 [0,2,0,0,0,0|2,0,0]=4 17240 B14R1.26 COCCCNCc1cccc(n1)C 207a_100150723488_100011215050 [0,2,0,0,0,0|2,0,0]=4 17241 B14R1.26 COCCCNCc1cccc(n1)C 270004a_100150723488_100011215050 [0,2,0,0,0,0|2,0,0]=4 17242 B14R1.26 COCCCNCc1cccc(n1)C 34a_100000701342_100000740836 [0,2,0,0,0,0|2,0,0]=4 17243 B14R1.26 COCCCNCc1cccc(n1)C 34a_100150723488_100000757606 [0,2,0,0,0,0|2,0,0]=4 17244 B14R1.26 COCCCNCc1cccc(n1)Cl 2230a_100016990191_100000740836 [0,2,0,0,0,0|2,0,0]=4 17245 B14R1.26 COCCCNCc1cccc(n1)Cl 270004a_100150723488_100011361687 [0,2,0,0,0,0|2,0,0]=4 17246 B14R1.26 COCCCNCc1cccc(n1)Cl 34a_100150723488_100000086093 [0,2,0,0,0,0|2,0,0]=4 17247 B14R1.26 COCCCNCc1cccc(n1)F 2230a_100015188798_100000740836 [0,2,0,0,0,0|2,0,0]=4 17248 B14R1.26 COCCCNCc1cccc(n1)F 270004a_100150723488_100000050434 [0,2,0,0,0,0|2,0,0]=4 17249 B14R1.26 COCCCNCc1cccc(n1)F 34a_100015188798_100000740836 [0,2,0,0,0,0|2,0,0]=4 17250 B14R1.26 COCCCNCc1cccc(n1)F 34a_100150723488_100009819644 [0,2,0,0,0,0|2,0,0]=4 17251 B14R1.26 COCCCNCc1ccnc(c1)Br 2230a_100025757509_100000740836 [0,2,0,0,0,0|2,0,0]=4 17252 B14R1.26 COCCCNCc1ccnc(c1)Br 270004a_100150723488_100009814634 [0,2,0,0,0,0|2,0,0]=4 17253 B14R1.26 COCCCNCc1ccnc(c1)Br 34a_100025757509_100000740836 [0,2,0,0,0,0|2,0,0]=4 17254 B14R1.26 COCCCNCc1ccnc(c1)Br 34a_100150723488_100010243470 [0,2,0,0,0,0|2,0,0]=4 17255 B14R1.26 COCCCNCc1ccnc(c1)C 207a_100150723488_100011361630 [0,2,0,0,0,0|2,0,0]=4 17256 B14R1.26 COCCCNCc1ccnc(c1)C 270004a_100150723488_100011361630 [0,2,0,0,0,0|2,0,0]=4 17257 B14R1.26 COCCCNCc1ccnc(c1)C 34a_100011934566_100000740836 [0,2,0,0,0,0|2,0,0]=4 17258 B14R1.26 COCCCNCc1ccnc(c1)C 34a_100150723488_200020672517 [0,2,0,0,0,0|2,0,0]=4 17259 B14R1.26 COCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000740836 [0,2,0,0,0,0|2,0,0]=4 17260 B14R1.26 COCCCNCc1ccnc(c1)Cl 270004a_100150723488_100011290808 [0,2,0,0,0,0|2,0,0]=4 17261 B14R1.26 COCCCNCc1ccnc(c1)Cl 34a_100015205668_100000740836 [0,2,0,0,0,0|2,0,0]=4 17262 B14R1.26 COCCCNCc1ccnc(c1)Cl 34a_100150723488_100000764220 [0,2,0,0,0,0|2,0,0]=4 17263 B14R1.26 COCCCNCc1ccnc(c1)F 2230a_100015188774_100000740836 [0,2,0,0,0,0|2,0,0]=4 17264 B14R1.26 COCCCNCc1ccnc(c1)F 270004a_100150723488_100000068331 [0,2,0,0,0,0|2,0,0]=4 17265 B14R1.26 COCCCNCc1ccnc(c1)F 34a_100015188774_100000740836 [0,2,0,0,0,0|2,0,0]=4 17266 B14R1.26 COCCCNCc1ccnc(c1)O 207a_100150723488_100000688113 [0,2,0,0,0,0|2,0,0]=4 17267 B14R1.26 COCCCNCc1cncc(c1)Br 207a_100150723488_100000687066 [0,2,0,0,0,0|2,0,0]=4 17268 B14R1.26 COCCCNCc1cncc(c1)Br 270004a_100150723488_100000687066 [0,2,0,0,0,0|2,0,0]=4 17269 B14R1.26 COCCCNCc1cncc(c1)Br 34a_100150723488_100000738771 [0,2,0,0,0,0|2,0,0]=4 17270 B14R1.26 COCCCNCc1cncc(c1)C 207a_100150723488_100011998712 [0,2,0,0,0,0|2,0,0]=4 17271 B14R1.26 COCCCNCc1cncc(c1)C 2230a_100000692839_100000740836 [0,2,0,0,0,0|2,0,0]=4 17272 B14R1.26 COCCCNCc1cncc(c1)C 270004a_100150723488_100011998712 [0,2,0,0,0,0|2,0,0]=4 17273 B14R1.26 COCCCNCc1cncc(c1)C 34a_100000692839_100000740836 [0,2,0,0,0,0|2,0,0]=4 17274 B14R1.26 COCCCNCc1cncc(c1)C 34a_100150723488_100000716715 [0,2,0,0,0,0|2,0,0]=4 17275 B14R1.26 COCCCNCc1cncc(c1)Cl 207a_100150723488_100000088910 [0,2,0,0,0,0|2,0,0]=4 17276 B14R1.26 COCCCNCc1cncc(c1)Cl 2230a_200020614424_100000740836 [0,2,0,0,0,0|2,0,0]=4 17277 B14R1.26 COCCCNCc1cncc(c1)Cl 270004a_100150723488_100000088910 [0,2,0,0,0,0|2,0,0]=4 17278 B14R1.26 COCCCNCc1cncc(c1)Cl 34a_100150723488_100016992070 [0,2,0,0,0,0|2,0,0]=4 17279 B14R1.26 COCCCNCc1cncc(c1)F 207a_100150723488_100011361476 [0,2,0,0,0,0|2,0,0]=4 17280 B14R1.26 COCCCNCc1cncc(c1)F 2230a_100011962886_100000740836 [0,2,0,0,0,0|2,0,0]=4 17281 B14R1.26 COCCCNCc1cncc(c1)F 270004a_100150723488_100011361476 [0,2,0,0,0,0|2,0,0]=4 17282 B14R1.26 COCCCNCc1cncc(c1)F 34a_100011962886_100000740836 [0,2,0,0,0,0|2,0,0]=4 17283 B14R1.26 COCCCNCc1cncc(c1)F 34a_100150723488_100000725299 [0,2,0,0,0,0|2,0,0]=4 17284 B14R1.26 COCCCNCc1cncc(c1)O 207a_100150723488_100012187055 [0,2,0,0,0,0|2,0,0]=4 17285 B14R1.26 COCCCNCc1cncc(c1)O 270004a_100150723488_100012187055 [0,2,0,0,0,0|2,0,0]=4 17286 B14R1.26 COCCCOCc1cc(ccn1)Br 34a_100000740835_100010173614 [0,2,0,0,0,0|2,0,0]=4 17287 B14R1.26 COCCCOCc1cc(ccn1)C 34a_100000740835_100000718516 [0,2,0,0,0,0|2,0,0]=4 17288 B14R1.26 COCCCOCc1cc(ccn1)C 34a_100011998357_100000740836 [0,2,0,0,0,0|2,0,0]=4 17289 B14R1.26 COCCCOCc1cc(ccn1)Cl 34a_100000740835_100016988179 [0,2,0,0,0,0|2,0,0]=4 17290 B14R1.26 COCCCOCc1cc(ccn1)Cl 34a_100000748867_100000740836 [0,2,0,0,0,0|2,0,0]=4 17291 B14R1.26 COCCCOCc1cc(ccn1)N 34a_100000692640_100000740836 [0,2,0,0,0,0|2,0,0]=4 17292 B14R1.26 COCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000740836 [0,2,0,0,0,0|2,0,0]=4 17293 B14R1.26 COCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000740836 [0,2,0,0,0,0|2,0,0]=4 17294 B14R1.26 COCCCOCc1cccc(c1)Br 34a_100000687537_100000740836 [0,2,0,0,0,0|1,0,0]=3 17295 B14R1.26 COCCCOCc1cccc(c1)Br 34a_100000740835_100000698116 [0,2,0,0,0,0|1,0,0]=3 17296 B14R1.26 COCCCOCc1cccc(c1)Br 7a_100000687537_100000740836 [0,2,0,0,0,0|1,0,0]=3 17297 B14R1.26 COCCCOCc1cccc(c1)C 34a_100000740835_100000211840 [0,2,0,0,0,0|1,0,0]=3 17298 B14R1.26 COCCCOCc1cccc(c1)C 34a_100011217746_100000740836 [0,2,0,0,0,0|1,0,0]=3 17299 B14R1.26 COCCCOCc1cccc(c1)C 7a_100011217746_100000740836 [0,2,0,0,0,0|1,0,0]=3 17300 B14R1.26 COCCCOCc1cccc(c1)Cl 34a_100000241301_100000740836 [0,2,0,0,0,0|1,0,0]=3 17301 B14R1.26 COCCCOCc1cccc(c1)Cl 34a_100000740835_100000187163 [0,2,0,0,0,0|1,0,0]=3 17302 B14R1.26 COCCCOCc1cccc(c1)Cl 7a_100000241301_100000740836 [0,2,0,0,0,0|1,0,0]=3 17303 B14R1.26 COCCCOCc1cccc(c1)F 34a_100000210976_100000740836 [0,2,0,0,0,0|1,0,0]=3 17304 B14R1.26 COCCCOCc1cccc(c1)F 34a_100000740835_100000187166 [0,2,0,0,0,0|1,0,0]=3 17305 B14R1.26 COCCCOCc1cccc(c1)F 7a_100000210976_100000740836 [0,2,0,0,0,0|1,0,0]=3 17306 B14R1.26 COCCCOCc1cccc(c1)I 34a_100000740835_100011218688 [0,2,0,0,0,0|1,0,0]=3 17307 B14R1.26 COCCCOCc1cccc(c1)I 34a_100011215336_100000740836 [0,2,0,0,0,0|1,0,0]=3 17308 B14R1.26 COCCCOCc1cccc(c1)I 7a_100011215336_100000740836 [0,2,0,0,0,0|1,0,0]=3 17309 B14R1.26 COCCCOCc1cccc(c1)N 34a_100000211919_100000740836 [0,2,0,0,0,0|1,0,0]=3 17310 B14R1.26 COCCCOCc1cccc(c1)O 34a_100000740835_100011660834 [0,2,0,0,0,0|1,0,0]=3 17311 B14R1.26 COCCCOCc1cccc(n1)Br 34a_100000694195_100000740836 [0,2,0,0,0,0|2,0,0]=4 17312 B14R1.26 COCCCOCc1cccc(n1)Br 34a_100000740835_100009889011 [0,2,0,0,0,0|2,0,0]=4 17313 B14R1.26 COCCCOCc1cccc(n1)C 34a_100000690600_100000740836 [0,2,0,0,0,0|2,0,0]=4 17314 B14R1.26 COCCCOCc1cccc(n1)C 34a_100000740835_100000757606 [0,2,0,0,0,0|2,0,0]=4 17315 B14R1.26 COCCCOCc1cccc(n1)Cl 34a_100000740835_100000086093 [0,2,0,0,0,0|2,0,0]=4 17316 B14R1.26 COCCCOCc1cccc(n1)Cl 34a_100011998359_100000740836 [0,2,0,0,0,0|2,0,0]=4 17317 B14R1.26 COCCCOCc1cccc(n1)F 34a_100000086748_100000740836 [0,2,0,0,0,0|2,0,0]=4 17318 B14R1.26 COCCCOCc1cccc(n1)F 34a_100000740835_100009819644 [0,2,0,0,0,0|2,0,0]=4 17319 B14R1.26 COCCCOCc1ccnc(c1)Br 34a_100000740835_100010243470 [0,2,0,0,0,0|2,0,0]=4 17320 B14R1.26 COCCCOCc1ccnc(c1)Br 34a_100009814636_100000740836 [0,2,0,0,0,0|2,0,0]=4 17321 B14R1.26 COCCCOCc1ccnc(c1)Br 7a_100009814636_100000740836 [0,2,0,0,0,0|2,0,0]=4 17322 B14R1.26 COCCCOCc1ccnc(c1)C 34a_100000740835_200020672517 [0,2,0,0,0,0|2,0,0]=4 17323 B14R1.26 COCCCOCc1ccnc(c1)C 34a_100011998630_100000740836 [0,2,0,0,0,0|2,0,0]=4 17324 B14R1.26 COCCCOCc1ccnc(c1)Cl 34a_100000740835_100000764220 [0,2,0,0,0,0|2,0,0]=4 17325 B14R1.26 COCCCOCc1ccnc(c1)Cl 34a_100000748751_100000740836 [0,2,0,0,0,0|2,0,0]=4 17326 B14R1.26 COCCCOCc1ccnc(c1)F 34a_100000082451_100000740836 [0,2,0,0,0,0|2,0,0]=4 17327 B14R1.26 COCCCOCc1cncc(c1)Br 34a_100000740835_100000738771 [0,2,0,0,0,0|2,0,0]=4 17328 B14R1.26 COCCCOCc1cncc(c1)Br 34a_100011259137_100000740836 [0,2,0,0,0,0|2,0,0]=4 17329 B14R1.26 COCCCOCc1cncc(c1)Br 7a_100011259137_100000740836 [0,2,0,0,0,0|2,0,0]=4 17330 B14R1.26 COCCCOCc1cncc(c1)C 34a_100000740835_100000716715 [0,2,0,0,0,0|2,0,0]=4 17331 B14R1.26 COCCCOCc1cncc(c1)C 34a_100011998709_100000740836 [0,2,0,0,0,0|2,0,0]=4 17332 B14R1.26 COCCCOCc1cncc(c1)C 7a_100011998709_100000740836 [0,2,0,0,0,0|2,0,0]=4 17333 B14R1.26 COCCCOCc1cncc(c1)Cl 34a_100000092867_100000740836 [0,2,0,0,0,0|2,0,0]=4 17334 B14R1.26 COCCCOCc1cncc(c1)Cl 34a_100000740835_100016992070 [0,2,0,0,0,0|2,0,0]=4 17335 B14R1.26 COCCCOCc1cncc(c1)Cl 7a_100000092867_100000740836 [0,2,0,0,0,0|2,0,0]=4 17336 B14R1.26 COCCCOCc1cncc(c1)F 34a_100000740835_100000725299 [0,2,0,0,0,0|2,0,0]=4 17337 B14R1.26 COCCCOCc1cncc(c1)F 34a_100011962875_100000740836 [0,2,0,0,0,0|2,0,0]=4 17338 B14R1.26 COCCCOCc1cncc(c1)F 7a_100011962875_100000740836 [0,2,0,0,0,0|2,0,0]=4 17339 B14R1.26 COCCCOCc1cncc(c1)N 34a_100000085308_100000740836 [0,2,0,0,0,0|2,0,0]=4 17340 B14R1.26 COCCCSCc1cc(ccn1)Br 62a_100000709357_100010173614 [0,2,0,0,0,0|2,0,0]=4 17341 B14R1.26 COCCCSCc1cc(ccn1)Br 62a_100010173614_100000709357 [0,2,0,0,0,0|2,0,0]=4 17342 B14R1.26 COCCCSCc1cc(ccn1)C 62a_100000709357_100000718516 [0,2,0,0,0,0|2,0,0]=4 17343 B14R1.26 COCCCSCc1cc(ccn1)C 62a_100000718516_100000709357 [0,2,0,0,0,0|2,0,0]=4 17344 B14R1.26 COCCCSCc1cc(ccn1)Cl 62a_100000709357_100016988179 [0,2,0,0,0,0|2,0,0]=4 17345 B14R1.26 COCCCSCc1cc(ccn1)Cl 62a_100016988179_100000709357 [0,2,0,0,0,0|2,0,0]=4 17346 B14R1.26 COCCCSCc1cccc(c1)Br 62a_100000211773_100000709357 [0,2,0,0,0,0|1,0,0]=3 17347 B14R1.26 COCCCSCc1cccc(c1)Br 62a_100000709357_100000211773 [0,2,0,0,0,0|1,0,0]=3 17348 B14R1.26 COCCCSCc1cccc(c1)C 62a_100000211840_100000709357 [0,2,0,0,0,0|1,0,0]=3 17349 B14R1.26 COCCCSCc1cccc(c1)C 62a_100000709357_100000211840 [0,2,0,0,0,0|1,0,0]=3 17350 B14R1.26 COCCCSCc1cccc(c1)Cl 62a_100000187163_100000709357 [0,2,0,0,0,0|1,0,0]=3 17351 B14R1.26 COCCCSCc1cccc(c1)Cl 62a_100000709357_100000187163 [0,2,0,0,0,0|1,0,0]=3 17352 B14R1.26 COCCCSCc1cccc(c1)F 62a_100000230114_100000709357 [0,2,0,0,0,0|1,0,0]=3 17353 B14R1.26 COCCCSCc1cccc(c1)F 62a_100000709357_100000230114 [0,2,0,0,0,0|1,0,0]=3 17354 B14R1.26 COCCCSCc1cccc(c1)I 62a_100000709357_100011218688 [0,2,0,0,0,0|1,0,0]=3 17355 B14R1.26 COCCCSCc1cccc(c1)I 62a_100011218688_100000709357 [0,2,0,0,0,0|1,0,0]=3 17356 B14R1.26 COCCCSCc1cccc(c1)O 62a_100000709357_100011660834 [0,2,0,0,0,0|1,0,0]=3 17357 B14R1.26 COCCCSCc1cccc(c1)O 62a_100011660834_100000709357 [0,2,0,0,0,0|1,0,0]=3 17358 B14R1.26 COCCCSCc1cccc(n1)Br 62a_100000709357_100009889011 [0,2,0,0,0,0|2,0,0]=4 17359 B14R1.26 COCCCSCc1cccc(n1)Br 62a_100009889011_100000709357 [0,2,0,0,0,0|2,0,0]=4 17360 B14R1.26 COCCCSCc1cccc(n1)C 62a_100000709357_100000757606 [0,2,0,0,0,0|2,0,0]=4 17361 B14R1.26 COCCCSCc1cccc(n1)C 62a_100000757606_100000709357 [0,2,0,0,0,0|2,0,0]=4 17362 B14R1.26 COCCCSCc1cccc(n1)Cl 62a_100000086093_100000709357 [0,2,0,0,0,0|2,0,0]=4 17363 B14R1.26 COCCCSCc1cccc(n1)Cl 62a_100000709357_100000086093 [0,2,0,0,0,0|2,0,0]=4 17364 B14R1.26 COCCCSCc1cccc(n1)F 62a_100000709357_100009819644 [0,2,0,0,0,0|2,0,0]=4 17365 B14R1.26 COCCCSCc1cccc(n1)F 62a_100009819644_100000709357 [0,2,0,0,0,0|2,0,0]=4 17366 B14R1.26 COCCCSCc1ccnc(c1)Br 62a_100000709357_100010243470 [0,2,0,0,0,0|2,0,0]=4 17367 B14R1.26 COCCCSCc1ccnc(c1)Br 62a_100010254460_100000709357 [0,2,0,0,0,0|2,0,0]=4 17368 B14R1.26 COCCCSCc1ccnc(c1)C 62a_100000709357_200020672517 [0,2,0,0,0,0|2,0,0]=4 17369 B14R1.26 COCCCSCc1ccnc(c1)C 62a_200020672517_100000709357 [0,2,0,0,0,0|2,0,0]=4 17370 B14R1.26 COCCCSCc1ccnc(c1)Cl 62a_100000709357_100000764220 [0,2,0,0,0,0|2,0,0]=4 17371 B14R1.26 COCCCSCc1ccnc(c1)Cl 62a_100000764220_100000709357 [0,2,0,0,0,0|2,0,0]=4 17372 B14R1.26 COCCCSCc1cncc(c1)Br 62a_100000709357_100000738771 [0,2,0,0,0,0|2,0,0]=4 17373 B14R1.26 COCCCSCc1cncc(c1)Br 62a_100000738771_100000709357 [0,2,0,0,0,0|2,0,0]=4 17374 B14R1.26 COCCCSCc1cncc(c1)C 62a_100000709357_100000716715 [0,2,0,0,0,0|2,0,0]=4 17375 B14R1.26 COCCCSCc1cncc(c1)C 62a_100000716715_100000709357 [0,2,0,0,0,0|2,0,0]=4 17376 B14R1.26 COCCCSCc1cncc(c1)Cl 62a_100000709357_100016992070 [0,2,0,0,0,0|2,0,0]=4 17377 B14R1.26 COCCCSCc1cncc(c1)Cl 62a_100016992070_100000709357 [0,2,0,0,0,0|2,0,0]=4 17378 B14R1.26 COCCCSCc1cncc(c1)F 62a_100000709357_100000725299 [0,2,0,0,0,0|2,0,0]=4 17379 B14R1.26 COCCCSCc1cncc(c1)F 62a_100000725299_100000709357 [0,2,0,0,0,0|2,0,0]=4 17380 B14R1.26 COCCNCCc1cccc(c1)Br 2230a_100000209980_100011740638 [0,2,0,0,0,0|1,0,0]=3 17381 B14R1.26 COCCNCCc1cccc(c1)Br 2230a_100011207229_100011201679 [0,2,0,0,0,0|1,0,0]=3 17382 B14R1.26 COCCNCCc1cccc(c1)Br 34a_100011207229_100011201679 [0,2,0,0,0,0|1,0,0]=3 17383 B14R1.26 COCCNCCc1cccc(c1)C 2230a_100000209980_100011713685 [0,2,0,0,0,0|1,0,0]=3 17384 B14R1.26 COCCNCCc1cccc(c1)C 2230a_100000749837_100011201679 [0,2,0,0,0,0|1,0,0]=3 17385 B14R1.26 COCCNCCc1cccc(c1)C 34a_100000749837_100011201679 [0,2,0,0,0,0|1,0,0]=3 17386 B14R1.26 COCCNCCc1cccc(c1)Cl 2230a_100000185263_100011201679 [0,2,0,0,0,0|1,0,0]=3 17387 B14R1.26 COCCNCCc1cccc(c1)Cl 2230a_100000209980_100011713710 [0,2,0,0,0,0|1,0,0]=3 17388 B14R1.26 COCCNCCc1cccc(c1)Cl 34a_100000185263_100011201679 [0,2,0,0,0,0|1,0,0]=3 17389 B14R1.26 COCCNCCc1cccc(c1)F 2230a_100000205154_100011201679 [0,2,0,0,0,0|1,0,0]=3 17390 B14R1.26 COCCNCCc1cccc(c1)F 2230a_100000209980_100011217235 [0,2,0,0,0,0|1,0,0]=3 17391 B14R1.26 COCCNCCc1cccc(c1)F 34a_100000205154_100011201679 [0,2,0,0,0,0|1,0,0]=3 17392 B14R1.26 COCCNCCc1cccc(c1)O 2230a_100000747277_100011201679 [0,2,0,0,0,0|1,0,0]=3 17393 B14R1.26 COCCNCCc1cccc(c1)O 34a_100000747277_100011201679 [0,2,0,0,0,0|1,0,0]=3 17394 B14R1.26 COCCNCCc1cccc(n1)C 2230a_100011824523_100011201679 [0,2,0,0,0,0|2,0,0]=4 17395 B14R1.26 COCCNCCc1cccc(n1)C 34a_100011824523_100011201679 [0,2,0,0,0,0|2,0,0]=4 17396 B14R1.26 COCCOCCc1cccc(c1)Br 34a_100000210237_100011740638 [0,2,0,0,0,0|1,0,0]=3 17397 B14R1.26 COCCOCCc1cccc(c1)Br 34a_100011217444_100011201679 [0,2,0,0,0,0|1,0,0]=3 17398 B14R1.26 COCCOCCc1cccc(c1)Br 7a_100011217444_100000233755 [0,2,0,0,0,0|1,0,0]=3 17399 B14R1.26 COCCOCCc1cccc(c1)C 34a_100000210237_100011713685 [0,2,0,0,0,0|1,0,0]=3 17400 B14R1.26 COCCOCCc1cccc(c1)C 34a_100011217157_100011201679 [0,2,0,0,0,0|1,0,0]=3 17401 B14R1.26 COCCOCCc1cccc(c1)C 7a_100011217157_100000233755 [0,2,0,0,0,0|1,0,0]=3 17402 B14R1.26 COCCOCCc1cccc(c1)Cl 34a_100000210237_100011713710 [0,2,0,0,0,0|1,0,0]=3 17403 B14R1.26 COCCOCCc1cccc(c1)Cl 34a_100000754733_100011201679 [0,2,0,0,0,0|1,0,0]=3 17404 B14R1.26 COCCOCCc1cccc(c1)Cl 7a_100000754733_100000233755 [0,2,0,0,0,0|1,0,0]=3 17405 B14R1.26 COCCOCCc1cccc(c1)F 34a_100000210237_100011217235 [0,2,0,0,0,0|1,0,0]=3 17406 B14R1.26 COCCOCCc1cccc(c1)F 34a_100000763591_100011201679 [0,2,0,0,0,0|1,0,0]=3 17407 B14R1.26 COCCOCCc1cccc(c1)F 7a_100000763591_100000233755 [0,2,0,0,0,0|1,0,0]=3 17408 B14R1.26 COCCOCCc1cccc(c1)N 34a_100011996697_100011201679 [0,2,0,0,0,0|1,0,0]=3 17409 B14R1.26 COCCOCCc1cccc(n1)Br 34a_100010221043_100011201679 [0,2,0,0,0,0|2,0,0]=4 17410 B14R1.26 COCCOCCc1cccc(n1)Br 7a_100010221043_100000233755 [0,2,0,0,0,0|2,0,0]=4 17411 B14R1.26 COCCOCNc1cccc(c1)C 2230a_100000188690_100000231047 [0,2,0,0,0,0|2,0,0]=4 17412 B14R1.26 COCCOCSc1cccc(c1)Br 62a_100000231047_100000691529 [0,2,0,0,0,0|2,0,0]=4 17413 B14R1.26 COCCOCSc1cccc(c1)Br 62a_100000691529_100000231047 [0,2,0,0,0,0|2,0,0]=4 17414 B14R1.26 COCCOCSc1cccc(c1)C 62a_100000231047_100011215228 [0,2,0,0,0,0|2,0,0]=4 17415 B14R1.26 COCCOCSc1cccc(c1)C 62a_100011215228_100000231047 [0,2,0,0,0,0|2,0,0]=4 17416 B14R1.26 COCCOCSc1cccc(c1)Cl 62a_100000231047_100000699651 [0,2,0,0,0,0|2,0,0]=4 17417 B14R1.26 COCCOCSc1cccc(c1)Cl 62a_100000699651_100000231047 [0,2,0,0,0,0|2,0,0]=4 17418 B14R1.26 COCCOCSc1cccc(c1)F 62a_100000231047_100000685547 [0,2,0,0,0,0|2,0,0]=4 17419 B14R1.26 COCCOCSc1cccc(c1)F 62a_100000685547_100000231047 [0,2,0,0,0,0|2,0,0]=4 17420 B14R1.26 COCCOCSc1cccc(c1)N 62a_100000210019_100000231047 [0,2,0,0,0,0|2,0,0]=4 17421 B14R1.26 COCCOCSc1cccc(c1)N 62a_100000231047_100000210019 [0,2,0,0,0,0|2,0,0]=4 17422 B14R1.26 COCCOCSc1cccc(c1)O 62a_100000231047_100000211634 [0,2,0,0,0,0|2,0,0]=4 17423 B14R1.26 COCCOCSc1cccc(c1)[S] 62a_100000231047_114929384022 [0,2,0,0,0,0|2,0,0]=4 17424 B14R1.26 COCCOCSc1cccc(c1)[S] 62a_114929384022_100000231047 [0,2,0,0,0,0|2,0,0]=4 17425 B14R1.26 COCCSCCc1cccc(c1)Br 62a_100000233755_100011740638 [0,2,0,0,0,0|1,0,0]=3 17426 B14R1.26 COCCSCCc1cccc(c1)Br 62a_100011740638_100000233755 [0,2,0,0,0,0|1,0,0]=3 17427 B14R1.26 COCCSCCc1cccc(c1)C 62a_100000233755_100011713685 [0,2,0,0,0,0|1,0,0]=3 17428 B14R1.26 COCCSCCc1cccc(c1)C 62a_100011713685_100000233755 [0,2,0,0,0,0|1,0,0]=3 17429 B14R1.26 COCCSCCc1cccc(c1)Cl 62a_100000233755_100011713710 [0,2,0,0,0,0|1,0,0]=3 17430 B14R1.26 COCCSCCc1cccc(c1)Cl 62a_100011713710_100000233755 [0,2,0,0,0,0|1,0,0]=3 17431 B14R1.26 COCCSCCc1cccc(c1)F 62a_100000233755_100011217235 [0,2,0,0,0,0|1,0,0]=3 17432 B14R1.26 COCCSCCc1cccc(c1)F 62a_100011217235_100000233755 [0,2,0,0,0,0|1,0,0]=3 17433 B14R1.26 COCNCCCc1cccc(c1)Br 2230a_100000753791_100000766300 [0,2,0,0,0,0|1,0,0]=3 17434 B14R1.26 COCNCCCc1cccc(c1)C 2230a_103496528808_100000766300 [0,2,0,0,0,0|1,0,0]=3 17435 B14R1.26 COCNCCCc1cccc(c1)Cl 2230a_100000704586_100000766300 [0,2,0,0,0,0|1,0,0]=3 17436 B14R1.26 COCNCCCc1cccc(c1)F 2230a_100000754185_100000766300 [0,2,0,0,0,0|1,0,0]=3 17437 B14R1.26 COCNCCOc1cccc(c1)Br 2230a_100000743521_100000766300 [0,2,0,0,0,0|2,0,0]=4 17438 B14R1.26 COCNCCOc1cccc(c1)C 2230a_100015185188_100000766300 [0,2,0,0,0,0|2,0,0]=4 17439 B14R1.26 COCNCCOc1cccc(c1)Cl 2230a_100000740232_100000766300 [0,2,0,0,0,0|2,0,0]=4 17440 B14R1.26 COCNCCOc1cccc(c1)F 2230a_100000738948_100000766300 [0,2,0,0,0,0|2,0,0]=4 17441 B14R1.26 COCSCCCc1cccc(c1)Br 62a_100000766300_100011713683 [0,2,0,0,0,0|1,0,0]=3 17442 B14R1.26 COCSCCCc1cccc(c1)Br 62a_100011713683_100000766300 [0,2,0,0,0,0|1,0,0]=3 17443 B14R1.26 COCSCCCc1cccc(c1)F 62a_100000766300_200000698031 [0,2,0,0,0,0|1,0,0]=3 17444 B14R1.26 COCSCCCc1cccc(c1)F 62a_200000698031_100000766300 [0,2,0,0,0,0|1,0,0]=3 17445 B14R1.26 COCSCCOc1cccc(c1)Br 62a_100000183150_100000766300 [0,2,0,0,0,0|2,0,0]=4 17446 B14R1.26 COCSCCOc1cccc(c1)Br 62a_100000766300_100000183150 [0,2,0,0,0,0|2,0,0]=4 17447 B14R1.26 COCSCCOc1cccc(c1)Cl 62a_100000181161_100000766300 [0,2,0,0,0,0|2,0,0]=4 17448 B14R1.26 COCSCCOc1cccc(c1)Cl 62a_100000766300_100000181161 [0,2,0,0,0,0|2,0,0]=4 17449 B14R1.26 COCSCCOc1cccc(c1)F 62a_100000739188_100000766300 [0,2,0,0,0,0|2,0,0]=4 17450 B14R1.26 COCSCCOc1cccc(c1)F 62a_100000766300_100000739188 [0,2,0,0,0,0|2,0,0]=4 17451 B14R1.26 CSCCCNCc1cccc(c1)Br 207a_100000749238_100000210085 [0,2,0,0,0,0|1,1,0]=4 17452 B14R1.26 CSCCCNCc1cccc(c1)Br 2230a_100000749238_100000698116 [0,2,0,0,0,0|1,1,0]=4 17453 B14R1.26 CSCCCNCc1cccc(c1)Br 270004a_100000749238_100000210085 [0,2,0,0,0,0|1,1,0]=4 17454 B14R1.26 CSCCCNCc1cccc(c1)C 207a_100000749238_100000211157 [0,2,0,0,0,0|1,1,0]=4 17455 B14R1.26 CSCCCNCc1cccc(c1)C 2230a_100000749238_100000211840 [0,2,0,0,0,0|1,1,0]=4 17456 B14R1.26 CSCCCNCc1cccc(c1)C 270004a_100000749238_100000211157 [0,2,0,0,0,0|1,1,0]=4 17457 B14R1.26 CSCCCNCc1cccc(c1)Cl 207a_100000749238_100000210801 [0,2,0,0,0,0|1,1,0]=4 17458 B14R1.26 CSCCCNCc1cccc(c1)Cl 2230a_100000749238_100000181238 [0,2,0,0,0,0|1,1,0]=4 17459 B14R1.26 CSCCCNCc1cccc(c1)Cl 270004a_100000749238_100000210801 [0,2,0,0,0,0|1,1,0]=4 17460 B14R1.26 CSCCCNCc1cccc(c1)F 207a_100000749238_100000210812 [0,2,0,0,0,0|1,1,0]=4 17461 B14R1.26 CSCCCNCc1cccc(c1)F 2230a_100000749238_100000230114 [0,2,0,0,0,0|1,1,0]=4 17462 B14R1.26 CSCCCNCc1cccc(c1)F 270004a_100000749238_100000210812 [0,2,0,0,0,0|1,1,0]=4 17463 B14R1.26 CSCCCNCc1cccc(c1)I 207a_100000749238_100000014684 [0,2,0,0,0,0|1,1,0]=4 17464 B14R1.26 CSCCCNCc1cccc(c1)I 2230a_100000749238_100011218688 [0,2,0,0,0,0|1,1,0]=4 17465 B14R1.26 CSCCCNCc1cccc(c1)I 270004a_100000749238_100000014684 [0,2,0,0,0,0|1,1,0]=4 17466 B14R1.26 CSCCCNCc1cccc(c1)O 207a_100000749238_100000188321 [0,2,0,0,0,0|1,1,0]=4 17467 B14R1.26 CSCCCNCc1cccc(c1)O 2230a_100000749238_100011660834 [0,2,0,0,0,0|1,1,0]=4 17468 B14R1.26 CSCCCNCc1cccc(c1)O 270004a_100000749238_100000188321 [0,2,0,0,0,0|1,1,0]=4 17469 B14R1.26 CSCCCOCc1cccc(c1)Br 34a_100000690336_100000698116 [0,2,0,0,0,0|1,1,0]=4 17470 B14R1.26 CSCCCOCc1cccc(c1)Br 7a_100000690336_100000211773 [0,2,0,0,0,0|1,1,0]=4 17471 B14R1.26 CSCCCOCc1cccc(c1)C 34a_100000690336_100000211840 [0,2,0,0,0,0|1,1,0]=4 17472 B14R1.26 CSCCCOCc1cccc(c1)C 7a_100000690336_100000211840 [0,2,0,0,0,0|1,1,0]=4 17473 B14R1.26 CSCCCOCc1cccc(c1)Cl 34a_100000690336_100000187163 [0,2,0,0,0,0|1,1,0]=4 17474 B14R1.26 CSCCCOCc1cccc(c1)Cl 7a_100000690336_100000187163 [0,2,0,0,0,0|1,1,0]=4 17475 B14R1.26 CSCCCOCc1cccc(c1)F 34a_100000690336_100000187166 [0,2,0,0,0,0|1,1,0]=4 17476 B14R1.26 CSCCCOCc1cccc(c1)F 7a_100000690336_100000230114 [0,2,0,0,0,0|1,1,0]=4 17477 B14R1.26 CSCCCOCc1cccc(c1)I 34a_100000690336_100011218688 [0,2,0,0,0,0|1,1,0]=4 17478 B14R1.26 CSCCCOCc1cccc(c1)I 7a_100000690336_100011218688 [0,2,0,0,0,0|1,1,0]=4 17479 B14R1.26 CSCCCOCc1cccc(c1)O 34a_100000690336_100011660834 [0,2,0,0,0,0|1,1,0]=4 17480 B14R1.26 CSCCCOCc1cccc(c1)O 7a_100000690336_100000084143 [0,2,0,0,0,0|1,1,0]=4 17481 B14R1.26 CSCCNCCc1cccc(c1)Br 2230a_100011207229_100000751147 [0,2,0,0,0,0|1,1,0]=4 17482 B14R1.26 CSCCNCCc1cccc(c1)Br 2230a_100020590264_100011740638 [0,2,0,0,0,0|1,1,0]=4 17483 B14R1.26 CSCCNCCc1cccc(c1)Br 34a_100011207229_100000212216 [0,2,0,0,0,0|1,1,0]=4 17484 B14R1.26 CSCCNCCc1cccc(c1)C 2230a_100000749837_100000751147 [0,2,0,0,0,0|1,1,0]=4 17485 B14R1.26 CSCCNCCc1cccc(c1)C 2230a_100020590264_100011713685 [0,2,0,0,0,0|1,1,0]=4 17486 B14R1.26 CSCCNCCc1cccc(c1)C 34a_100000749837_100000212216 [0,2,0,0,0,0|1,1,0]=4 17487 B14R1.26 CSCCNCCc1cccc(c1)Cl 2230a_100000185263_100000751147 [0,2,0,0,0,0|1,1,0]=4 17488 B14R1.26 CSCCNCCc1cccc(c1)Cl 2230a_100020590264_100011713710 [0,2,0,0,0,0|1,1,0]=4 17489 B14R1.26 CSCCNCCc1cccc(c1)Cl 34a_100000185263_100000212216 [0,2,0,0,0,0|1,1,0]=4 17490 B14R1.26 CSCCNCCc1cccc(c1)F 2230a_100000205154_100000751147 [0,2,0,0,0,0|1,1,0]=4 17491 B14R1.26 CSCCNCCc1cccc(c1)F 2230a_100020590264_100011217235 [0,2,0,0,0,0|1,1,0]=4 17492 B14R1.26 CSCCNCCc1cccc(c1)F 34a_100000205154_100000212216 [0,2,0,0,0,0|1,1,0]=4 17493 B14R1.26 CSCCNCCc1cccc(c1)O 2230a_100000747277_100000751147 [0,2,0,0,0,0|1,1,0]=4 17494 B14R1.26 CSCCNCCc1cccc(c1)O 34a_100000747277_100000212216 [0,2,0,0,0,0|1,1,0]=4 17495 B14R1.26 CSCCOCCc1cccc(c1)Br 34a_100000230434_100011740638 [0,2,0,0,0,0|1,1,0]=4 17496 B14R1.26 CSCCOCCc1cccc(c1)Br 34a_100011217444_100000212216 [0,2,0,0,0,0|1,1,0]=4 17497 B14R1.26 CSCCOCCc1cccc(c1)Br 7a_100000230434_100011740638 [0,2,0,0,0,0|1,1,0]=4 17498 B14R1.26 CSCCOCCc1cccc(c1)Br 7a_100011217444_100000212216 [0,2,0,0,0,0|1,1,0]=4 17499 B14R1.26 CSCCOCCc1cccc(c1)C 34a_100000230434_100011713685 [0,2,0,0,0,0|1,1,0]=4 17500 B14R1.26 CSCCOCCc1cccc(c1)C 34a_100011217157_100000212216 [0,2,0,0,0,0|1,1,0]=4 17501 B14R1.26 CSCCOCCc1cccc(c1)C 7a_100000230434_100011713685 [0,2,0,0,0,0|1,1,0]=4 17502 B14R1.26 CSCCOCCc1cccc(c1)C 7a_100011217157_100000212216 [0,2,0,0,0,0|1,1,0]=4 17503 B14R1.26 CSCCOCCc1cccc(c1)Cl 34a_100000230434_100011713710 [0,2,0,0,0,0|1,1,0]=4 17504 B14R1.26 CSCCOCCc1cccc(c1)Cl 34a_100000754733_100000212216 [0,2,0,0,0,0|1,1,0]=4 17505 B14R1.26 CSCCOCCc1cccc(c1)Cl 7a_100000230434_100011713710 [0,2,0,0,0,0|1,1,0]=4 17506 B14R1.26 CSCCOCCc1cccc(c1)Cl 7a_100000754733_100000212216 [0,2,0,0,0,0|1,1,0]=4 17507 B14R1.26 CSCCOCCc1cccc(c1)F 34a_100000230434_100011217235 [0,2,0,0,0,0|1,1,0]=4 17508 B14R1.26 CSCCOCCc1cccc(c1)F 34a_100000763591_100000212216 [0,2,0,0,0,0|1,1,0]=4 17509 B14R1.26 CSCCOCCc1cccc(c1)F 7a_100000230434_100011217235 [0,2,0,0,0,0|1,1,0]=4 17510 B14R1.26 CSCCOCCc1cccc(c1)F 7a_100000763591_100000212216 [0,2,0,0,0,0|1,1,0]=4 17511 B14R1.26 CSCCOCCc1cccc(c1)N 34a_100011996697_100000212216 [0,2,0,0,0,0|1,1,0]=4 17512 B14R1.26 CSCCSCCc1cccc(c1)Br 62a_100000212216_100011740638 [0,2,0,0,0,0|1,1,0]=4 17513 B14R1.26 CSCCSCCc1cccc(c1)Br 62a_100011740638_100000751147 [0,2,0,0,0,0|1,1,0]=4 17514 B14R1.26 CSCCSCCc1cccc(c1)C 62a_100000212216_100011713685 [0,2,0,0,0,0|1,1,0]=4 17515 B14R1.26 CSCCSCCc1cccc(c1)C 62a_100011713685_100000751147 [0,2,0,0,0,0|1,1,0]=4 17516 B14R1.26 CSCCSCCc1cccc(c1)Cl 62a_100000212216_100011713710 [0,2,0,0,0,0|1,1,0]=4 17517 B14R1.26 CSCCSCCc1cccc(c1)Cl 62a_100011713710_100000751147 [0,2,0,0,0,0|1,1,0]=4 17518 B14R1.26 CSCCSCCc1cccc(c1)F 62a_100000212216_100011217235 [0,2,0,0,0,0|1,1,0]=4 17519 B14R1.26 CSCCSCCc1cccc(c1)F 62a_100011217235_100000751147 [0,2,0,0,0,0|1,1,0]=4 17520 B14R1.26 CSCNCCCc1cccc(c1)Br 2230a_100000753791_100011218213 [0,2,0,0,0,0|1,1,0]=4 17521 B14R1.26 CSCNCCCc1cccc(c1)Br 34a_100000753791_100011218213 [0,2,0,0,0,0|1,1,0]=4 17522 B14R1.26 CSCNCCCc1cccc(c1)C 2230a_103496528808_100011218213 [0,2,0,0,0,0|1,1,0]=4 17523 B14R1.26 CSCNCCCc1cccc(c1)C 34a_103496528808_100011218213 [0,2,0,0,0,0|1,1,0]=4 17524 B14R1.26 CSCNCCCc1cccc(c1)Cl 2230a_100000704586_100011218213 [0,2,0,0,0,0|1,1,0]=4 17525 B14R1.26 CSCNCCCc1cccc(c1)Cl 34a_100000704586_100011218213 [0,2,0,0,0,0|1,1,0]=4 17526 B14R1.26 CSCNCCCc1cccc(c1)F 2230a_100000754185_100011218213 [0,2,0,0,0,0|1,1,0]=4 17527 B14R1.26 CSCNCCCc1cccc(c1)F 34a_100000754185_100011218213 [0,2,0,0,0,0|1,1,0]=4 17528 B14R1.26 CSCOCCCc1cccc(c1)Br 34a_100011709248_100011218213 [0,2,0,0,0,0|1,1,0]=4 17529 B14R1.26 CSCOCCCc1cccc(c1)Cl 34a_100011709246_100011218213 [0,2,0,0,0,0|1,1,0]=4 17530 B14R1.26 CSCOCCCc1cccc(c1)N 34a_200000698965_100011218213 [0,2,0,0,0,0|1,1,0]=4 17531 B14R1.26 CSCSCCCc1cccc(c1)Br 62a_100011218213_100011713683 [0,2,0,0,0,0|1,1,0]=4 17532 B14R1.26 CSCSCCCc1cccc(c1)Br 62a_100011713683_100011218213 [0,2,0,0,0,0|1,1,0]=4 17533 B14R1.26 CSCSCCCc1cccc(c1)F 62a_100011218213_200000698031 [0,2,0,0,0,0|1,1,0]=4 17534 B14R1.26 CSCSCCCc1cccc(c1)F 62a_200000698031_100011218213 [0,2,0,0,0,0|1,1,0]=4 17535 B14R1.26 C[n+]1cccc(c1)SCCCCCF 62a_100000729378_100009996589 [0,2,0,0,0,0|2,0,0]=4 17536 B14R1.26 C[n+]1cccc(c1)SCCCCCF 62a_100009996589_100000729378 [0,2,0,0,0,0|2,0,0]=4 17537 B14R1.26 C[n+]1cccc(c1)SCCCCCO 62a_100000746330_100009996589 [0,2,0,0,0,0|1,0,0]=3 17538 B14R1.26 C[n+]1cccc(c1)SCCCCCO 62a_100009996589_100000746330 [0,2,0,0,0,0|1,0,0]=3 17539 B14R1.26 C[n+]1cccc(c1)SCCOCCO 62a_100009996589_100011215305 [0,2,0,0,0,0|2,0,0]=4 17540 B14R1.26 C[n+]1cccc(c1)SCCOCCO 62a_100011215305_100009996589 [0,2,0,0,0,0|2,0,0]=4 17541 B14R1.26 Cc1cc(ccn1)CNCCCCF 34a_100011934566_100000729493 [0,2,0,0,0,0|2,0,0]=4 17542 B14R1.26 Cc1cc(ccn1)CNCCCCO 207a_100000750430_100011361630 [0,2,0,0,0,0|1,0,0]=3 17543 B14R1.26 Cc1cc(ccn1)CNCCCCO 2230a_100000750430_200020672517 [0,2,0,0,0,0|1,0,0]=3 17544 B14R1.26 Cc1cc(ccn1)CNCCCCO 270004a_100000750430_100011361630 [0,2,0,0,0,0|1,0,0]=3 17545 B14R1.26 Cc1cc(ccn1)CNCCCCO 34a_100000750430_200020672517 [0,2,0,0,0,0|1,0,0]=3 17546 B14R1.26 Cc1cc(ccn1)CNCCCCO 34a_100011934566_100011216708 [0,2,0,0,0,0|1,0,0]=3 17547 B14R1.26 Cc1cc(ccn1)COCCCCBr 34a_100011216708_200020672517 [0,2,0,0,0,0|2,0,0]=4 17548 B14R1.26 Cc1cc(ccn1)COCCCCCl 34a_100000210776_200020672517 [0,2,0,0,0,0|2,0,0]=4 17549 B14R1.26 Cc1cc(ccn1)COCCCCCl 7a_100000210776_200020672517 [0,2,0,0,0,0|2,0,0]=4 17550 B14R1.26 Cc1cc(ccn1)COCCCCF 34a_100011995726_200020672517 [0,2,0,0,0,0|2,0,0]=4 17551 B14R1.26 Cc1cc(ccn1)COCCCCF 34a_100011998630_100000729493 [0,2,0,0,0,0|2,0,0]=4 17552 B14R1.26 Cc1cc(ccn1)COCCCCF 7a_100011995726_200020672517 [0,2,0,0,0,0|2,0,0]=4 17553 B14R1.26 Cc1cc(ccn1)COCCCCI 34a_200012148704_200020672517 [0,2,0,0,0,0|2,0,0]=4 17554 B14R1.26 Cc1cc(ccn1)COCCCCN 34a_100000750430_200020672517 [0,2,0,0,0,0|2,0,0]=4 17555 B14R1.26 Cc1cc(ccn1)COCCCCO 34a_100011998630_100011216708 [0,2,0,0,0,0|1,0,0]=3 17556 B14R1.26 Cc1cc(ccn1)CSCCCCF 62a_100000729493_200020672517 [0,2,0,0,0,0|2,0,0]=4 17557 B14R1.26 Cc1cc(ccn1)CSCCCCF 62a_200020672517_100000729493 [0,2,0,0,0,0|2,0,0]=4 17558 B14R1.26 Cc1cc(ccn1)CSCCCCO 62a_100000210776_200020672517 [0,2,0,0,0,0|1,0,0]=3 17559 B14R1.26 Cc1cc(ccn1)CSCCCCO 62a_200020672517_100000210776 [0,2,0,0,0,0|1,0,0]=3 17560 B14R1.26 Cc1cc(ccn1)NCCCCCO 27a_100000762737_100000758586 [0,2,0,0,0,0|1,0,0]=3 17561 B14R1.26 Cc1cc(ccn1)NCCOCCO 27a_100000211614_100000758586 [0,2,0,0,0,0|2,0,0]=4 17562 B14R1.26 Cc1cc(ccn1)NCCSCCO 27a_100011219999_100000758586 [0,2,0,0,0,0|2,0,0]=4 17563 B14R1.26 Cc1cc(ccn1)OCCCCCF 34a_100000688365_100000729378 [0,2,0,0,0,0|2,0,0]=4 17564 B14R1.26 Cc1cc(ccn1)OCCCCCO 34a_100000688365_100000746330 [0,2,0,0,0,0|1,0,0]=3 17565 B14R1.26 Cc1cc(ccn1)OCCOCCO 34a_100000688365_100000692535 [0,2,0,0,0,0|2,0,0]=4 17566 B14R1.26 Cc1cc(ccn1)SCCCCCF 62a_100000729378_100000758586 [0,2,0,0,0,0|2,0,0]=4 17567 B14R1.26 Cc1cc(ccn1)SCCCCCF 62a_100000758586_100000729378 [0,2,0,0,0,0|2,0,0]=4 17568 B14R1.26 Cc1cc(ccn1)SCCCCCO 62a_100000746330_100000758586 [0,2,0,0,0,0|1,0,0]=3 17569 B14R1.26 Cc1cc(ccn1)SCCCCCO 62a_100000758586_100000746330 [0,2,0,0,0,0|1,0,0]=3 17570 B14R1.26 Cc1cc(ccn1)SCCOCCO 62a_100000758586_100011215305 [0,2,0,0,0,0|2,0,0]=4 17571 B14R1.26 Cc1cc(ccn1)SCCOCCO 62a_100011215305_100000758586 [0,2,0,0,0,0|2,0,0]=4 17572 B14R1.26 Cc1cc(ncn1)NCCCCCO 27a_100000762737_100000744208 [0,2,0,0,0,0|2,0,0]=4 17573 B14R1.26 Cc1cc(ncn1)SCCCCCO 62a_100000744208_100000746330 [0,2,0,0,0,0|2,0,0]=4 17574 B14R1.26 Cc1cc(ncn1)SCCCCCO 62a_100000746330_100000744208 [0,2,0,0,0,0|2,0,0]=4 17575 B14R1.26 Cc1cccc(c1)C=CCNCCO 270004a_100000210304_100102525846 [0,2,0,0,0,0|0,0,2]=4 17576 B14R1.26 Cc1cccc(c1)CCCNCC#N 2230a_103496528808_100011215382 [0,2,0,0,0,0|1,0,1]=4 17577 B14R1.26 Cc1cccc(c1)CCCNCC=O 2230a_103496528808_200015260668 [0,2,0,0,0,0|0,0,2]=4 17578 B14R1.26 Cc1cccc(c1)CCCNCC=O 34a_103496528808_200009817547 [0,2,0,0,0,0|0,0,2]=4 17579 B14R1.26 Cc1cccc(c1)CCCNCCF 2230a_103496528808_100011217306 [0,2,0,0,0,0|1,0,0]=3 17580 B14R1.26 Cc1cccc(c1)CCCNCCF 34a_103496528808_100011217306 [0,2,0,0,0,0|1,0,0]=3 17581 B14R1.26 Cc1cccc(c1)CCCNCCO 2230a_103496528808_100000211926 [0,2,0,0,0,0|0,0,0]=2 17582 B14R1.26 Cc1cccc(c1)CCCNCCO 34a_103496528808_100000211926 [0,2,0,0,0,0|0,0,0]=2 17583 B14R1.26 Cc1cccc(c1)CCNCCC#N 2230a_100000749837_100011215226 [0,2,0,0,0,0|1,0,1]=4 17584 B14R1.26 Cc1cccc(c1)CCNCCCF 2230a_100000749837_100011934791 [0,2,0,0,0,0|1,0,0]=3 17585 B14R1.26 Cc1cccc(c1)CCNCCCF 2230a_100015189416_100011713685 [0,2,0,0,0,0|1,0,0]=3 17586 B14R1.26 Cc1cccc(c1)CCNCCCF 34a_100000749837_100011934791 [0,2,0,0,0,0|1,0,0]=3 17587 B14R1.26 Cc1cccc(c1)CCNCCCF 34a_100015189416_100011713685 [0,2,0,0,0,0|1,0,0]=3 17588 B14R1.26 Cc1cccc(c1)CCNCCCO 2230a_100000749837_100000230001 [0,2,0,0,0,0|0,0,0]=2 17589 B14R1.26 Cc1cccc(c1)CCNCCCO 34a_100000749837_100000230001 [0,2,0,0,0,0|0,0,0]=2 17590 B14R1.26 Cc1cccc(c1)CCOCCC#N 7a_100011217157_100000184422 [0,2,0,0,0,0|1,0,1]=4 17591 B14R1.26 Cc1cccc(c1)CCOCCCBr 34a_100011217188_100011713685 [0,2,0,0,0,0|1,0,0]=3 17592 B14R1.26 Cc1cccc(c1)CCOCCCCl 34a_100000230001_100011713685 [0,2,0,0,0,0|1,0,0]=3 17593 B14R1.26 Cc1cccc(c1)CCOCCCF 34a_100000759539_100011713685 [0,2,0,0,0,0|1,0,0]=3 17594 B14R1.26 Cc1cccc(c1)CCOCCCF 34a_100011217157_100011934791 [0,2,0,0,0,0|1,0,0]=3 17595 B14R1.26 Cc1cccc(c1)CCOCCCF 7a_100011217157_100011934791 [0,2,0,0,0,0|1,0,0]=3 17596 B14R1.26 Cc1cccc(c1)CCOCCCN 34a_100000182051_100011713685 [0,2,0,0,0,0|1,0,0]=3 17597 B14R1.26 Cc1cccc(c1)CCOCCCO 34a_100011217157_100000230001 [0,2,0,0,0,0|0,0,0]=2 17598 B14R1.26 Cc1cccc(c1)CCOCCCO 7a_100011217157_100011215043 [0,2,0,0,0,0|0,0,0]=2 17599 B14R1.26 Cc1cccc(c1)CCOCCON 34a_100000700252_100011713685 [0,2,0,0,0,0|1,0,0]=3 17600 B14R1.26 Cc1cccc(c1)CCSCCC#N 62a_100011215226_100011713685 [0,2,0,0,0,0|1,0,1]=4 17601 B14R1.26 Cc1cccc(c1)CCSCCC#N 62a_100011713685_100011215226 [0,2,0,0,0,0|1,0,1]=4 17602 B14R1.26 Cc1cccc(c1)CCSCCCF 62a_100011713685_100011934791 [0,2,0,0,0,0|1,0,0]=3 17603 B14R1.26 Cc1cccc(c1)CCSCCCF 62a_100011934791_100011713685 [0,2,0,0,0,0|1,0,0]=3 17604 B14R1.26 Cc1cccc(c1)CCSCCCO 62a_100011215043_100011713685 [0,2,0,0,0,0|0,0,0]=2 17605 B14R1.26 Cc1cccc(c1)CCSCCCO 62a_100011713685_100011215043 [0,2,0,0,0,0|0,0,0]=2 17606 B14R1.26 Cc1cccc(c1)CNCC#CCO 2230a_100000185548_200000047223 [0,2,0,0,0,0|0,0,2]=4 17607 B14R1.26 Cc1cccc(c1)CNCC#CCO 34a_100000185548_200000047223 [0,2,0,0,0,0|0,0,2]=4 17608 B14R1.26 Cc1cccc(c1)CNCCCC#N 2230a_100000185548_100000687738 [0,2,0,0,0,0|1,0,1]=4 17609 B14R1.26 Cc1cccc(c1)CNCCCC=O 2230a_100000185548_200011292268 [0,2,0,0,0,0|0,0,2]=4 17610 B14R1.26 Cc1cccc(c1)CNCCCCF 2230a_100000185548_100000729493 [0,2,0,0,0,0|1,0,0]=3 17611 B14R1.26 Cc1cccc(c1)CNCCCCF 34a_100000185548_100000729493 [0,2,0,0,0,0|1,0,0]=3 17612 B14R1.26 Cc1cccc(c1)CNCCCCO 207a_100000750430_100000211157 [0,2,0,0,0,0|0,0,0]=2 17613 B14R1.26 Cc1cccc(c1)CNCCCCO 2230a_100000185548_100000210776 [0,2,0,0,0,0|0,0,0]=2 17614 B14R1.26 Cc1cccc(c1)CNCCCCO 2230a_100000750430_100000211840 [0,2,0,0,0,0|0,0,0]=2 17615 B14R1.26 Cc1cccc(c1)CNCCCCO 270004a_100000750430_100000211157 [0,2,0,0,0,0|0,0,0]=2 17616 B14R1.26 Cc1cccc(c1)CNCCCCO 34a_100000185548_100011216708 [0,2,0,0,0,0|0,0,0]=2 17617 B14R1.26 Cc1cccc(c1)CNCCCCO 34a_100000750430_100000211840 [0,2,0,0,0,0|0,0,0]=2 17618 B14R1.26 Cc1cccc(c1)COCC#CCO 34a_100011217746_200000047223 [0,2,0,0,0,0|0,0,2]=4 17619 B14R1.26 Cc1cccc(c1)COCC#CCO 7a_100011217746_200000047223 [0,2,0,0,0,0|0,0,2]=4 17620 B14R1.26 Cc1cccc(c1)COCCCC#N 7a_100011217746_100000687738 [0,2,0,0,0,0|1,0,1]=4 17621 B14R1.26 Cc1cccc(c1)COCCCC=O 7a_100011217746_200011292268 [0,2,0,0,0,0|0,0,2]=4 17622 B14R1.26 Cc1cccc(c1)COCCCCBr 34a_100011216708_100000211840 [0,2,0,0,0,0|1,0,0]=3 17623 B14R1.26 Cc1cccc(c1)COCCCCCl 34a_100000210776_100000211840 [0,2,0,0,0,0|1,0,0]=3 17624 B14R1.26 Cc1cccc(c1)COCCCCCl 7a_100000210776_100000211840 [0,2,0,0,0,0|1,0,0]=3 17625 B14R1.26 Cc1cccc(c1)COCCCCF 34a_100011217746_100000729493 [0,2,0,0,0,0|1,0,0]=3 17626 B14R1.26 Cc1cccc(c1)COCCCCF 34a_100011995726_100000211840 [0,2,0,0,0,0|1,0,0]=3 17627 B14R1.26 Cc1cccc(c1)COCCCCF 7a_100011217746_100000729493 [0,2,0,0,0,0|1,0,0]=3 17628 B14R1.26 Cc1cccc(c1)COCCCCF 7a_100011995726_100000211840 [0,2,0,0,0,0|1,0,0]=3 17629 B14R1.26 Cc1cccc(c1)COCCCCI 34a_200012148704_100000211840 [0,2,0,0,0,0|1,0,0]=3 17630 B14R1.26 Cc1cccc(c1)COCCCCN 34a_100000750430_100000211840 [0,2,0,0,0,0|1,0,0]=3 17631 B14R1.26 Cc1cccc(c1)COCCCCO 34a_100011217746_100011216708 [0,2,0,0,0,0|0,0,0]=2 17632 B14R1.26 Cc1cccc(c1)COCCCCO 7a_100011217746_100000210776 [0,2,0,0,0,0|0,0,0]=2 17633 B14R1.26 Cc1cccc(c1)CSCC#CCO 62a_100000211840_200000047223 [0,2,0,0,0,0|0,0,2]=4 17634 B14R1.26 Cc1cccc(c1)CSCC#CCO 62a_200000047223_100000211840 [0,2,0,0,0,0|0,0,2]=4 17635 B14R1.26 Cc1cccc(c1)CSCCCC#N 62a_100000211840_100000687738 [0,2,0,0,0,0|1,0,1]=4 17636 B14R1.26 Cc1cccc(c1)CSCCCC#N 62a_100000687738_100000211840 [0,2,0,0,0,0|1,0,1]=4 17637 B14R1.26 Cc1cccc(c1)CSCCCC=O 62a_100000211840_200011292268 [0,2,0,0,0,0|0,0,2]=4 17638 B14R1.26 Cc1cccc(c1)CSCCCC=O 62a_200011292268_100000211840 [0,2,0,0,0,0|0,0,2]=4 17639 B14R1.26 Cc1cccc(c1)CSCCCCF 62a_100000211840_100000729493 [0,2,0,0,0,0|1,0,0]=3 17640 B14R1.26 Cc1cccc(c1)CSCCCCF 62a_100000729493_100000211840 [0,2,0,0,0,0|1,0,0]=3 17641 B14R1.26 Cc1cccc(c1)CSCCCCO 62a_100000210776_100000211840 [0,2,0,0,0,0|0,0,0]=2 17642 B14R1.26 Cc1cccc(c1)CSCCCCO 62a_100000211840_100000210776 [0,2,0,0,0,0|0,0,0]=2 17643 B14R1.26 Cc1cccc(c1)CSCCCN[13CH3] 2230a_100011750099_200025704644 [0,2,0,0,0,0|2,0,0]=4 17644 B14R1.26 Cc1cccc(c1)CSCCCN[13CH3] 34a_100011750099_200025704644 [0,2,0,0,0,0|2,0,0]=4 17645 B14R1.26 Cc1cccc(c1)CSCCCN[13CH3] 7a_100011750099_200025704644 [0,2,0,0,0,0|2,0,0]=4 17646 B14R1.26 Cc1cccc(c1)CSCCOCF 34a_100011212950_100015361967 [0,2,0,0,0,0|2,0,0]=4 17647 B14R1.26 Cc1cccc(c1)CSCCOCF 7a_100011212950_100015361967 [0,2,0,0,0,0|2,0,0]=4 17648 B14R1.26 Cc1cccc(c1)NCCCCC#N 2230a_100000188690_100000211819 [0,2,0,0,0,0|1,0,1]=4 17649 B14R1.26 Cc1cccc(c1)NCCCCC=O 2230a_100000188690_100000139335 [0,2,0,0,0,0|0,0,2]=4 17650 B14R1.26 Cc1cccc(c1)NCCCCCF 2230a_100000188690_100000729378 [0,2,0,0,0,0|1,0,0]=3 17651 B14R1.26 Cc1cccc(c1)NCCCCCF 34a_100000188690_100000729378 [0,2,0,0,0,0|1,0,0]=3 17652 B14R1.26 Cc1cccc(c1)NCCCCCO 2230a_100000188690_100000746330 [0,2,0,0,0,0|0,0,0]=2 17653 B14R1.26 Cc1cccc(c1)NCCCCCO 34a_100000188690_100000746330 [0,2,0,0,0,0|0,0,0]=2 17654 B14R1.26 Cc1cccc(c1)NCCOCCO 2230a_100000188690_100011215305 [0,2,0,0,0,0|1,0,0]=3 17655 B14R1.26 Cc1cccc(c1)NCCOCCO 34a_100000188690_100000692535 [0,2,0,0,0,0|1,0,0]=3 17656 B14R1.26 Cc1cccc(c1)OCCCCC#N 7a_100000210337_100000211819 [0,2,0,0,0,0|1,0,1]=4 17657 B14R1.26 Cc1cccc(c1)OCCCCC=O 7a_100000210337_100000139335 [0,2,0,0,0,0|0,0,2]=4 17658 B14R1.26 Cc1cccc(c1)OCCCCCF 34a_100000210337_100000729378 [0,2,0,0,0,0|1,0,0]=3 17659 B14R1.26 Cc1cccc(c1)OCCCCCF 7a_100000210337_100000729378 [0,2,0,0,0,0|1,0,0]=3 17660 B14R1.26 Cc1cccc(c1)OCCCCCO 34a_100000210337_100000746330 [0,2,0,0,0,0|0,0,0]=2 17661 B14R1.26 Cc1cccc(c1)OCCCCCO 7a_100000210337_100000746330 [0,2,0,0,0,0|0,0,0]=2 17662 B14R1.26 Cc1cccc(c1)OCCCSCF 62a_100015361967_100000212303 [0,2,0,0,0,0|2,0,0]=4 17663 B14R1.26 Cc1cccc(c1)OCCNCCF 2230a_100015185188_100011217306 [0,2,0,0,0,0|2,0,0]=4 17664 B14R1.26 Cc1cccc(c1)OCCNCCF 34a_100015185188_100011217306 [0,2,0,0,0,0|2,0,0]=4 17665 B14R1.26 Cc1cccc(c1)OCCNCCO 2230a_100015185188_100000211926 [0,2,0,0,0,0|1,0,0]=3 17666 B14R1.26 Cc1cccc(c1)OCCNCCO 34a_100015185188_100000211926 [0,2,0,0,0,0|1,0,0]=3 17667 B14R1.26 Cc1cccc(c1)OCCOCCF 34a_200011215094_100011217306 [0,2,0,0,0,0|2,0,0]=4 17668 B14R1.26 Cc1cccc(c1)OCCOCCF 7a_200011215094_100011217306 [0,2,0,0,0,0|2,0,0]=4 17669 B14R1.26 Cc1cccc(c1)OCCOCCO 34a_100000210337_100000692535 [0,2,0,0,0,0|1,0,0]=3 17670 B14R1.26 Cc1cccc(c1)OCCOCCO 34a_200011215094_100000211926 [0,2,0,0,0,0|1,0,0]=3 17671 B14R1.26 Cc1cccc(c1)OCCOCCO 7a_100000210337_100011215305 [0,2,0,0,0,0|1,0,0]=3 17672 B14R1.26 Cc1cccc(c1)OCCOCCO 7a_200011215094_100000211926 [0,2,0,0,0,0|1,0,0]=3 17673 B14R1.26 Cc1cccc(c1)SCCCCC#N 62a_100011215228_100000211819 [0,2,0,0,0,0|1,0,1]=4 17674 B14R1.26 Cc1cccc(c1)SCCCCC#N 62a_100011219923_100011215228 [0,2,0,0,0,0|1,0,1]=4 17675 B14R1.26 Cc1cccc(c1)SCCCCC=O 62a_100000139335_100011215228 [0,2,0,0,0,0|0,0,2]=4 17676 B14R1.26 Cc1cccc(c1)SCCCCC=O 62a_100011215228_100000139335 [0,2,0,0,0,0|0,0,2]=4 17677 B14R1.26 Cc1cccc(c1)SCCCCCF 62a_100000729378_100011215228 [0,2,0,0,0,0|1,0,0]=3 17678 B14R1.26 Cc1cccc(c1)SCCCCCF 62a_100011215228_100000729378 [0,2,0,0,0,0|1,0,0]=3 17679 B14R1.26 Cc1cccc(c1)SCCCCCO 62a_100000746330_100011215228 [0,2,0,0,0,0|0,0,0]=2 17680 B14R1.26 Cc1cccc(c1)SCCCCCO 62a_100011215228_100000746330 [0,2,0,0,0,0|0,0,0]=2 17681 B14R1.26 Cc1cccc(c1)SCCOCCF 34a_200011432187_100011217306 [0,2,0,0,0,0|2,0,0]=4 17682 B14R1.26 Cc1cccc(c1)SCCOCCF 7a_200011432187_100011217306 [0,2,0,0,0,0|2,0,0]=4 17683 B14R1.26 Cc1cccc(c1)SCCOCCO 34a_200011432187_100000211926 [0,2,0,0,0,0|1,0,0]=3 17684 B14R1.26 Cc1cccc(c1)SCCOCCO 62a_100011215228_100011215305 [0,2,0,0,0,0|1,0,0]=3 17685 B14R1.26 Cc1cccc(c1)SCCOCCO 62a_100011215305_100011215228 [0,2,0,0,0,0|1,0,0]=3 17686 B14R1.26 Cc1cccc(c1)SCCOCCO 7a_200011432187_100000211926 [0,2,0,0,0,0|1,0,0]=3 17687 B14R1.26 Cc1cccc(n1)CCCOCCF 34a_100000211354_100011217306 [0,2,0,0,0,0|2,0,0]=4 17688 B14R1.26 Cc1cccc(n1)CCCOCCO 34a_100000211354_100000211926 [0,2,0,0,0,0|1,0,0]=3 17689 B14R1.26 Cc1cccc(n1)CCNCCCF 2230a_100011824523_100011934791 [0,2,0,0,0,0|2,0,0]=4 17690 B14R1.26 Cc1cccc(n1)CCNCCCF 34a_100011824523_100011934791 [0,2,0,0,0,0|2,0,0]=4 17691 B14R1.26 Cc1cccc(n1)CCNCCCO 2230a_100011824523_100000230001 [0,2,0,0,0,0|1,0,0]=3 17692 B14R1.26 Cc1cccc(n1)CCNCCCO 34a_100011824523_100000230001 [0,2,0,0,0,0|1,0,0]=3 17693 B14R1.26 Cc1cccc(n1)CNCCCCF 34a_100000701342_100000729493 [0,2,0,0,0,0|2,0,0]=4 17694 B14R1.26 Cc1cccc(n1)CNCCCCO 207a_100000750430_100011215050 [0,2,0,0,0,0|1,0,0]=3 17695 B14R1.26 Cc1cccc(n1)CNCCCCO 2230a_100000750430_100000757606 [0,2,0,0,0,0|1,0,0]=3 17696 B14R1.26 Cc1cccc(n1)CNCCCCO 270004a_100000750430_100011215050 [0,2,0,0,0,0|1,0,0]=3 17697 B14R1.26 Cc1cccc(n1)CNCCCCO 34a_100000701342_100011216708 [0,2,0,0,0,0|1,0,0]=3 17698 B14R1.26 Cc1cccc(n1)CNCCCCO 34a_100000750430_100000757606 [0,2,0,0,0,0|1,0,0]=3 17699 B14R1.26 Cc1cccc(n1)COCCCCBr 34a_100011216708_100000757606 [0,2,0,0,0,0|2,0,0]=4 17700 B14R1.26 Cc1cccc(n1)COCCCCCl 34a_100000210776_100000757606 [0,2,0,0,0,0|2,0,0]=4 17701 B14R1.26 Cc1cccc(n1)COCCCCCl 7a_100000210776_100000757606 [0,2,0,0,0,0|2,0,0]=4 17702 B14R1.26 Cc1cccc(n1)COCCCCF 34a_100000690600_100000729493 [0,2,0,0,0,0|2,0,0]=4 17703 B14R1.26 Cc1cccc(n1)COCCCCF 34a_100011995726_100000757606 [0,2,0,0,0,0|2,0,0]=4 17704 B14R1.26 Cc1cccc(n1)COCCCCF 7a_100011995726_100000757606 [0,2,0,0,0,0|2,0,0]=4 17705 B14R1.26 Cc1cccc(n1)COCCCCI 34a_200012148704_100000757606 [0,2,0,0,0,0|2,0,0]=4 17706 B14R1.26 Cc1cccc(n1)COCCCCN 34a_100000750430_100000757606 [0,2,0,0,0,0|2,0,0]=4 17707 B14R1.26 Cc1cccc(n1)COCCCCO 34a_100000690600_100011216708 [0,2,0,0,0,0|1,0,0]=3 17708 B14R1.26 Cc1cccc(n1)CSCCCCF 62a_100000729493_100000757606 [0,2,0,0,0,0|2,0,0]=4 17709 B14R1.26 Cc1cccc(n1)CSCCCCF 62a_100000757606_100000729493 [0,2,0,0,0,0|2,0,0]=4 17710 B14R1.26 Cc1cccc(n1)CSCCCCO 62a_100000210776_100000757606 [0,2,0,0,0,0|1,0,0]=3 17711 B14R1.26 Cc1cccc(n1)CSCCCCO 62a_100000757606_100000210776 [0,2,0,0,0,0|1,0,0]=3 17712 B14R1.26 Cc1cccc(n1)SCCCCCF 62a_100000729378_100000742759 [0,2,0,0,0,0|2,0,0]=4 17713 B14R1.26 Cc1cccc(n1)SCCCCCF 62a_100000742759_100000729378 [0,2,0,0,0,0|2,0,0]=4 17714 B14R1.26 Cc1cccc(n1)SCCCCCO 62a_100000742759_100000746330 [0,2,0,0,0,0|1,0,0]=3 17715 B14R1.26 Cc1cccc(n1)SCCCCCO 62a_100000746330_100000742759 [0,2,0,0,0,0|1,0,0]=3 17716 B14R1.26 Cc1cccc(n1)SCCOCCO 62a_100000742759_100011215305 [0,2,0,0,0,0|2,0,0]=4 17717 B14R1.26 Cc1cccc(n1)SCCOCCO 62a_100011215305_100000742759 [0,2,0,0,0,0|2,0,0]=4 17718 B14R1.26 Cc1ccnc(c1)CNCCCCO 207a_100000750430_100011361488 [0,2,0,0,0,0|1,0,0]=3 17719 B14R1.26 Cc1ccnc(c1)CNCCCCO 2230a_100000750430_100000718516 [0,2,0,0,0,0|1,0,0]=3 17720 B14R1.26 Cc1ccnc(c1)CNCCCCO 270004a_100000750430_100011361488 [0,2,0,0,0,0|1,0,0]=3 17721 B14R1.26 Cc1ccnc(c1)CNCCCCO 34a_100000750430_100000718516 [0,2,0,0,0,0|1,0,0]=3 17722 B14R1.26 Cc1ccnc(c1)COCCCCBr 34a_100011216708_100000718516 [0,2,0,0,0,0|2,0,0]=4 17723 B14R1.26 Cc1ccnc(c1)COCCCCCl 34a_100000210776_100000718516 [0,2,0,0,0,0|2,0,0]=4 17724 B14R1.26 Cc1ccnc(c1)COCCCCCl 7a_100000210776_100000718516 [0,2,0,0,0,0|2,0,0]=4 17725 B14R1.26 Cc1ccnc(c1)COCCCCF 34a_100011995726_100000718516 [0,2,0,0,0,0|2,0,0]=4 17726 B14R1.26 Cc1ccnc(c1)COCCCCF 34a_100011998357_100000729493 [0,2,0,0,0,0|2,0,0]=4 17727 B14R1.26 Cc1ccnc(c1)COCCCCF 7a_100011995726_100000718516 [0,2,0,0,0,0|2,0,0]=4 17728 B14R1.26 Cc1ccnc(c1)COCCCCI 34a_200012148704_100000718516 [0,2,0,0,0,0|2,0,0]=4 17729 B14R1.26 Cc1ccnc(c1)COCCCCN 34a_100000750430_100000718516 [0,2,0,0,0,0|2,0,0]=4 17730 B14R1.26 Cc1ccnc(c1)COCCCCO 34a_100011998357_100011216708 [0,2,0,0,0,0|1,0,0]=3 17731 B14R1.26 Cc1ccnc(c1)CSCCCCF 62a_100000718516_100000729493 [0,2,0,0,0,0|2,0,0]=4 17732 B14R1.26 Cc1ccnc(c1)CSCCCCF 62a_100000729493_100000718516 [0,2,0,0,0,0|2,0,0]=4 17733 B14R1.26 Cc1ccnc(c1)CSCCCCO 62a_100000210776_100000718516 [0,2,0,0,0,0|1,0,0]=3 17734 B14R1.26 Cc1ccnc(c1)CSCCCCO 62a_100000718516_100000210776 [0,2,0,0,0,0|1,0,0]=3 17735 B14R1.26 Cc1ccnc(c1)SCCCCCF 62a_100000729378_100000750283 [0,2,0,0,0,0|2,0,0]=4 17736 B14R1.26 Cc1ccnc(c1)SCCCCCF 62a_100000750283_100000729378 [0,2,0,0,0,0|2,0,0]=4 17737 B14R1.26 Cc1ccnc(c1)SCCCCCO 62a_100000746330_100000750283 [0,2,0,0,0,0|1,0,0]=3 17738 B14R1.26 Cc1ccnc(c1)SCCCCCO 62a_100000750283_100000746330 [0,2,0,0,0,0|1,0,0]=3 17739 B14R1.26 Cc1ccnc(c1)SCCOCCO 62a_100000750283_100011215305 [0,2,0,0,0,0|2,0,0]=4 17740 B14R1.26 Cc1ccnc(c1)SCCOCCO 62a_100011215305_100000750283 [0,2,0,0,0,0|2,0,0]=4 17741 B14R1.26 Cc1ccnc(n1)CNCCCCO 2230a_100015186494_100000210776 [0,2,0,0,0,0|2,0,0]=4 17742 B14R1.26 Cc1ccnc(n1)NCCCCCO 27a_100000762737_100000750684 [0,2,0,0,0,0|2,0,0]=4 17743 B14R1.26 Cc1ccnc(n1)SCCCCCO 62a_100000746330_100011243806 [0,2,0,0,0,0|2,0,0]=4 17744 B14R1.26 Cc1ccnc(n1)SCCCCCO 62a_100011243806_100000746330 [0,2,0,0,0,0|2,0,0]=4 17745 B14R1.26 Cc1cncc(c1)CNCCCCF 2230a_100000692839_100000729493 [0,2,0,0,0,0|2,0,0]=4 17746 B14R1.26 Cc1cncc(c1)CNCCCCF 34a_100000692839_100000729493 [0,2,0,0,0,0|2,0,0]=4 17747 B14R1.26 Cc1cncc(c1)CNCCCCO 207a_100000750430_100011998712 [0,2,0,0,0,0|1,0,0]=3 17748 B14R1.26 Cc1cncc(c1)CNCCCCO 2230a_100000692839_100000210776 [0,2,0,0,0,0|1,0,0]=3 17749 B14R1.26 Cc1cncc(c1)CNCCCCO 2230a_100000750430_100000716715 [0,2,0,0,0,0|1,0,0]=3 17750 B14R1.26 Cc1cncc(c1)CNCCCCO 270004a_100000750430_100011998712 [0,2,0,0,0,0|1,0,0]=3 17751 B14R1.26 Cc1cncc(c1)CNCCCCO 34a_100000692839_100011216708 [0,2,0,0,0,0|1,0,0]=3 17752 B14R1.26 Cc1cncc(c1)CNCCCCO 34a_100000750430_100000716715 [0,2,0,0,0,0|1,0,0]=3 17753 B14R1.26 Cc1cncc(c1)COCCCCBr 34a_100011216708_100000716715 [0,2,0,0,0,0|2,0,0]=4 17754 B14R1.26 Cc1cncc(c1)COCCCCCl 34a_100000210776_100000716715 [0,2,0,0,0,0|2,0,0]=4 17755 B14R1.26 Cc1cncc(c1)COCCCCCl 7a_100000210776_100000716715 [0,2,0,0,0,0|2,0,0]=4 17756 B14R1.26 Cc1cncc(c1)COCCCCF 34a_100011995726_100000716715 [0,2,0,0,0,0|2,0,0]=4 17757 B14R1.26 Cc1cncc(c1)COCCCCF 34a_100011998709_100000729493 [0,2,0,0,0,0|2,0,0]=4 17758 B14R1.26 Cc1cncc(c1)COCCCCF 7a_100011995726_100000716715 [0,2,0,0,0,0|2,0,0]=4 17759 B14R1.26 Cc1cncc(c1)COCCCCF 7a_100011998709_100000729493 [0,2,0,0,0,0|2,0,0]=4 17760 B14R1.26 Cc1cncc(c1)COCCCCI 34a_200012148704_100000716715 [0,2,0,0,0,0|2,0,0]=4 17761 B14R1.26 Cc1cncc(c1)COCCCCN 34a_100000750430_100000716715 [0,2,0,0,0,0|2,0,0]=4 17762 B14R1.26 Cc1cncc(c1)COCCCCO 34a_100011998709_100011216708 [0,2,0,0,0,0|1,0,0]=3 17763 B14R1.26 Cc1cncc(c1)COCCCCO 7a_100011998709_100000210776 [0,2,0,0,0,0|1,0,0]=3 17764 B14R1.26 Cc1cncc(c1)CSCCCCF 62a_100000716715_100000729493 [0,2,0,0,0,0|2,0,0]=4 17765 B14R1.26 Cc1cncc(c1)CSCCCCF 62a_100000729493_100000716715 [0,2,0,0,0,0|2,0,0]=4 17766 B14R1.26 Cc1cncc(c1)CSCCCCO 62a_100000210776_100000716715 [0,2,0,0,0,0|1,0,0]=3 17767 B14R1.26 Cc1cncc(c1)CSCCCCO 62a_100000716715_100000210776 [0,2,0,0,0,0|1,0,0]=3 17768 B14R1.26 Cc1cncc(c1)OCCCCCF 34a_100011830280_100000729378 [0,2,0,0,0,0|2,0,0]=4 17769 B14R1.26 Cc1cncc(c1)OCCCCCF 7a_100011830280_100000729378 [0,2,0,0,0,0|2,0,0]=4 17770 B14R1.26 Cc1cncc(c1)OCCCCCO 34a_100011830280_100000746330 [0,2,0,0,0,0|1,0,0]=3 17771 B14R1.26 Cc1cncc(c1)OCCCCCO 7a_100011830280_100000746330 [0,2,0,0,0,0|1,0,0]=3 17772 B14R1.26 Cc1cncc(c1)OCCOCCO 34a_100011830280_100000692535 [0,2,0,0,0,0|2,0,0]=4 17773 B14R1.26 Cc1cncc(c1)OCCOCCO 7a_100011830280_100011215305 [0,2,0,0,0,0|2,0,0]=4 17774 B14R1.26 Cc1cncc(c1)SCCCCCF 62a_100000729378_100000760492 [0,2,0,0,0,0|2,0,0]=4 17775 B14R1.26 Cc1cncc(c1)SCCCCCF 62a_100000760492_100000729378 [0,2,0,0,0,0|2,0,0]=4 17776 B14R1.26 Cc1cncc(c1)SCCCCCO 62a_100000746330_100000760492 [0,2,0,0,0,0|1,0,0]=3 17777 B14R1.26 Cc1cncc(c1)SCCCCCO 62a_100000760492_100000746330 [0,2,0,0,0,0|1,0,0]=3 17778 B14R1.26 Cc1cncc(c1)SCCOCCO 62a_100000760492_100011215305 [0,2,0,0,0,0|2,0,0]=4 17779 B14R1.26 Cc1cncc(c1)SCCOCCO 62a_100011215305_100000760492 [0,2,0,0,0,0|2,0,0]=4 17780 B14R1.26 Cc1cncc(n1)CNCCCCO 207a_100000750430_100000100294 [0,2,0,0,0,0|2,0,0]=4 17781 B14R1.26 Cc1cncc(n1)CNCCCCO 270004a_100000750430_100000100294 [0,2,0,0,0,0|2,0,0]=4 17782 B14R1.26 Cc1cncc(n1)NCCCCCO 27a_100000762737_100000754123 [0,2,0,0,0,0|2,0,0]=4 17783 B14R1.26 Cc1cncc(n1)SCCCCCO 62a_100000746330_100000754123 [0,2,0,0,0,0|2,0,0]=4 17784 B14R1.26 Cc1cncc(n1)SCCCCCO 62a_100000754123_100000746330 [0,2,0,0,0,0|2,0,0]=4 17785 B14R1.26 Cc1cnnc(c1)COCCCCO 34a_100016212594_100011216708 [0,2,0,0,0,0|2,0,0]=4 17786 B14R1.26 Cc1cnnc(c1)NCCCCCO 27a_100000762737_100000070100 [0,2,0,0,0,0|2,0,0]=4 17787 B14R1.26 Cc1cnnc(c1)OCCCCCO 34a_100000766097_100000746330 [0,2,0,0,0,0|2,0,0]=4 17788 B14R1.26 Cc1cnnc(c1)SCCCCCO 62a_100000070100_100000746330 [0,2,0,0,0,0|2,0,0]=4 17789 B14R1.26 Cc1cnnc(c1)SCCCCCO 62a_100000746330_100000070100 [0,2,0,0,0,0|2,0,0]=4 17790 B14R1.26 Cc1nccc(n1)CNCCCCO 270004a_100000750430_100011361539 [0,2,0,0,0,0|2,0,0]=4 17791 B14R1.26 Cc1nccc(n1)NCCCCCO 27a_100000762737_100000749937 [0,2,0,0,0,0|2,0,0]=4 17792 B14R1.26 Cc1nccc(n1)SCCCCCO 62a_100000746330_100000749937 [0,2,0,0,0,0|2,0,0]=4 17793 B14R1.26 Cc1nccc(n1)SCCCCCO 62a_100000749937_100000746330 [0,2,0,0,0,0|2,0,0]=4 17794 B14R1.26 ClCCCCOCc1cc(ccn1)Br 34a_100000210776_100010173614 [0,2,0,0,0,0|2,0,0]=4 17795 B14R1.26 ClCCCCOCc1cc(ccn1)Br 7a_100000210776_100010173614 [0,2,0,0,0,0|2,0,0]=4 17796 B14R1.26 ClCCCCOCc1cc(ccn1)Cl 34a_100000210776_100016988179 [0,2,0,0,0,0|2,0,0]=4 17797 B14R1.26 ClCCCCOCc1cc(ccn1)Cl 7a_100000210776_100016988179 [0,2,0,0,0,0|2,0,0]=4 17798 B14R1.26 ClCCCCOCc1cccc(c1)Br 34a_100000210776_100000698116 [0,2,0,0,0,0|1,0,0]=3 17799 B14R1.26 ClCCCCOCc1cccc(c1)Br 7a_100000210776_100000211773 [0,2,0,0,0,0|1,0,0]=3 17800 B14R1.26 ClCCCCOCc1cccc(c1)Cl 34a_100000210776_100000187163 [0,2,0,0,0,0|1,0,0]=3 17801 B14R1.26 ClCCCCOCc1cccc(c1)Cl 7a_100000210776_100000187163 [0,2,0,0,0,0|1,0,0]=3 17802 B14R1.26 ClCCCCOCc1cccc(c1)I 34a_100000210776_100011218688 [0,2,0,0,0,0|1,0,0]=3 17803 B14R1.26 ClCCCCOCc1cccc(c1)I 7a_100000210776_100011218688 [0,2,0,0,0,0|1,0,0]=3 17804 B14R1.26 ClCCCCOCc1cccc(n1)Br 34a_100000210776_100009889011 [0,2,0,0,0,0|2,0,0]=4 17805 B14R1.26 ClCCCCOCc1cccc(n1)Br 7a_100000210776_100009889011 [0,2,0,0,0,0|2,0,0]=4 17806 B14R1.26 ClCCCCOCc1cccc(n1)Cl 34a_100000210776_100000086093 [0,2,0,0,0,0|2,0,0]=4 17807 B14R1.26 ClCCCCOCc1cccc(n1)Cl 7a_100000210776_100000086093 [0,2,0,0,0,0|2,0,0]=4 17808 B14R1.26 ClCCCCOCc1ccnc(c1)Br 34a_100000210776_100010243470 [0,2,0,0,0,0|2,0,0]=4 17809 B14R1.26 ClCCCCOCc1ccnc(c1)Br 7a_100000210776_100010254460 [0,2,0,0,0,0|2,0,0]=4 17810 B14R1.26 ClCCCCOCc1ccnc(c1)Cl 34a_100000210776_100000764220 [0,2,0,0,0,0|2,0,0]=4 17811 B14R1.26 ClCCCCOCc1ccnc(c1)Cl 7a_100000210776_100000764220 [0,2,0,0,0,0|2,0,0]=4 17812 B14R1.26 ClCCCCOCc1cncc(c1)Br 34a_100000210776_100000738771 [0,2,0,0,0,0|2,0,0]=4 17813 B14R1.26 ClCCCCOCc1cncc(c1)Br 7a_100000210776_100000738771 [0,2,0,0,0,0|2,0,0]=4 17814 B14R1.26 ClCCCCOCc1cncc(c1)Cl 34a_100000210776_100016992070 [0,2,0,0,0,0|2,0,0]=4 17815 B14R1.26 ClCCCCOCc1cncc(c1)Cl 7a_100000210776_100016992070 [0,2,0,0,0,0|2,0,0]=4 17816 B14R1.26 ClCCCOCCc1cccc(c1)Br 34a_100000230001_100011740638 [0,2,0,0,0,0|1,0,0]=3 17817 B14R1.26 ClCCCOCCc1cccc(c1)Cl 34a_100000230001_100011713710 [0,2,0,0,0,0|1,0,0]=3 17818 B14R1.26 Clc1cc(ccn1)COCCCCBr 34a_100011216708_100000764220 [0,2,0,0,0,0|2,0,0]=4 17819 B14R1.26 Clc1cc(ccn1)COCCCCI 34a_200012148704_100000764220 [0,2,0,0,0,0|2,0,0]=4 17820 B14R1.26 Clc1cccc(c1)CCOCCCBr 34a_100011217188_100011713710 [0,2,0,0,0,0|1,0,0]=3 17821 B14R1.26 Clc1cccc(c1)COCCCCBr 34a_100011216708_100000187163 [0,2,0,0,0,0|1,0,0]=3 17822 B14R1.26 Clc1cccc(c1)COCCCCI 34a_200012148704_100000187163 [0,2,0,0,0,0|1,0,0]=3 17823 B14R1.26 Clc1cccc(c1)OCCOCCBr 34a_100000211926_100000181161 [0,2,0,0,0,0|2,0,0]=4 17824 B14R1.26 Clc1cccc(n1)COCCCCBr 34a_100011216708_100000086093 [0,2,0,0,0,0|2,0,0]=4 17825 B14R1.26 Clc1cccc(n1)COCCCCI 34a_200012148704_100000086093 [0,2,0,0,0,0|2,0,0]=4 17826 B14R1.26 Clc1ccnc(c1)COCCCCBr 34a_100011216708_100016988179 [0,2,0,0,0,0|2,0,0]=4 17827 B14R1.26 Clc1ccnc(c1)COCCCCI 34a_200012148704_100016988179 [0,2,0,0,0,0|2,0,0]=4 17828 B14R1.26 Clc1cncc(c1)COCCCCBr 34a_100011216708_100016992070 [0,2,0,0,0,0|2,0,0]=4 17829 B14R1.26 Clc1cncc(c1)COCCCCI 34a_200012148704_100016992070 [0,2,0,0,0,0|2,0,0]=4 17830 B14R1.26 FCCCCCNc1cccc(c1)Br 34a_100000210019_100000729378 [0,2,0,0,0,0|1,0,0]=3 17831 B14R1.26 FCCCCCNc1cccc(c1)Cl 34a_100000185859_100000729378 [0,2,0,0,0,0|1,0,0]=3 17832 B14R1.26 FCCCCCNc1cccc(c1)F 34a_100000210047_100000729378 [0,2,0,0,0,0|1,0,0]=3 17833 B14R1.26 FCCCCCNc1cccc(c1)I 34a_100000211102_100000729378 [0,2,0,0,0,0|1,0,0]=3 17834 B14R1.26 FCCCCCOc1cccc(c1)Br 34a_100000210342_100000729378 [0,2,0,0,0,0|1,0,0]=3 17835 B14R1.26 FCCCCCOc1cccc(c1)Br 7a_100000210342_100000729378 [0,2,0,0,0,0|1,0,0]=3 17836 B14R1.26 FCCCCCOc1cccc(c1)Cl 34a_100000210295_100000729378 [0,2,0,0,0,0|1,0,0]=3 17837 B14R1.26 FCCCCCOc1cccc(c1)Cl 7a_100000210295_100000729378 [0,2,0,0,0,0|1,0,0]=3 17838 B14R1.26 FCCCCCOc1cccc(c1)F 34a_100000210426_100000729378 [0,2,0,0,0,0|1,0,0]=3 17839 B14R1.26 FCCCCCOc1cccc(c1)F 7a_100000210426_100000729378 [0,2,0,0,0,0|1,0,0]=3 17840 B14R1.26 FCCCCCOc1cccc(c1)I 34a_100000211634_100000729378 [0,2,0,0,0,0|1,0,0]=3 17841 B14R1.26 FCCCCCOc1cccc(c1)I 7a_100000211634_100000729378 [0,2,0,0,0,0|1,0,0]=3 17842 B14R1.26 FCCCCCOc1cccc(n1)F 34a_100011432558_100000729378 [0,2,0,0,0,0|2,0,0]=4 17843 B14R1.26 FCCCCCOc1ccnc(c1)Cl 34a_100000762945_100000729378 [0,2,0,0,0,0|2,0,0]=4 17844 B14R1.26 FCCCCCOc1ccnc(c1)F 34a_100000732698_100000729378 [0,2,0,0,0,0|2,0,0]=4 17845 B14R1.26 FCCCCCOc1cncc(c1)Br 34a_100000754920_100000729378 [0,2,0,0,0,0|2,0,0]=4 17846 B14R1.26 FCCCCCOc1cncc(c1)Br 7a_100000754920_100000729378 [0,2,0,0,0,0|2,0,0]=4 17847 B14R1.26 FCCCCCOc1cncc(c1)Cl 7a_100000032511_100000729378 [0,2,0,0,0,0|2,0,0]=4 17848 B14R1.26 FCCCCCOc1cncc(c1)F 34a_100011830296_100000729378 [0,2,0,0,0,0|2,0,0]=4 17849 B14R1.26 FCCCCCOc1cncc(c1)F 7a_100011830296_100000729378 [0,2,0,0,0,0|2,0,0]=4 17850 B14R1.26 FCCCCCSc1cc(ccn1)Cl 62a_100000729378_100010167805 [0,2,0,0,0,0|2,0,0]=4 17851 B14R1.26 FCCCCCSc1cc(ccn1)Cl 62a_100010167805_100000729378 [0,2,0,0,0,0|2,0,0]=4 17852 B14R1.26 FCCCCCSc1cc(ccn1)F 62a_100000729378_100000764206 [0,2,0,0,0,0|2,0,0]=4 17853 B14R1.26 FCCCCCSc1cc(ccn1)F 62a_100000764206_100000729378 [0,2,0,0,0,0|2,0,0]=4 17854 B14R1.26 FCCCCCSc1cccc(c1)Br 62a_100000691529_100000729378 [0,2,0,0,0,0|1,0,0]=3 17855 B14R1.26 FCCCCCSc1cccc(c1)Br 62a_100000729378_100000691529 [0,2,0,0,0,0|1,0,0]=3 17856 B14R1.26 FCCCCCSc1cccc(c1)Cl 62a_100000699651_100000729378 [0,2,0,0,0,0|1,0,0]=3 17857 B14R1.26 FCCCCCSc1cccc(c1)Cl 62a_100000729378_100000699651 [0,2,0,0,0,0|1,0,0]=3 17858 B14R1.26 FCCCCCSc1cccc(c1)F 62a_100000685547_100000729378 [0,2,0,0,0,0|1,0,0]=3 17859 B14R1.26 FCCCCCSc1cccc(c1)F 62a_100000729378_100000685547 [0,2,0,0,0,0|1,0,0]=3 17860 B14R1.26 FCCCCCSc1cccc(c1)[S] 62a_100000729378_114929384022 [0,2,0,0,0,0|1,0,0]=3 17861 B14R1.26 FCCCCCSc1cccc(c1)[S] 62a_114929384022_100000729378 [0,2,0,0,0,0|1,0,0]=3 17862 B14R1.26 FCCCCCSc1cccc(n1)Br 62a_100000684672_100000729378 [0,2,0,0,0,0|2,0,0]=4 17863 B14R1.26 FCCCCCSc1cccc(n1)Br 62a_100000729378_100000684672 [0,2,0,0,0,0|2,0,0]=4 17864 B14R1.26 FCCCCCSc1cccc(n1)Cl 62a_100000051397_100000729378 [0,2,0,0,0,0|2,0,0]=4 17865 B14R1.26 FCCCCCSc1cccc(n1)Cl 62a_100000729378_100000051397 [0,2,0,0,0,0|2,0,0]=4 17866 B14R1.26 FCCCCCSc1cccc(n1)F 62a_100000729378_100009815982 [0,2,0,0,0,0|2,0,0]=4 17867 B14R1.26 FCCCCCSc1cccc(n1)F 62a_100009815982_100000729378 [0,2,0,0,0,0|2,0,0]=4 17868 B14R1.26 FCCCCCSc1ccnc(c1)Br 62a_100000729378_100009814637 [0,2,0,0,0,0|2,0,0]=4 17869 B14R1.26 FCCCCCSc1ccnc(c1)Br 62a_100009814637_100000729378 [0,2,0,0,0,0|2,0,0]=4 17870 B14R1.26 FCCCCCSc1ccnc(c1)Cl 62a_100000035001_100000729378 [0,2,0,0,0,0|2,0,0]=4 17871 B14R1.26 FCCCCCSc1ccnc(c1)Cl 62a_100000729378_100000035001 [0,2,0,0,0,0|2,0,0]=4 17872 B14R1.26 FCCCCCSc1ccnc(c1)F 62a_100000729378_100009816116 [0,2,0,0,0,0|2,0,0]=4 17873 B14R1.26 FCCCCCSc1ccnc(c1)F 62a_100009816116_100000729378 [0,2,0,0,0,0|2,0,0]=4 17874 B14R1.26 FCCCCCSc1cncc(c1)Br 62a_100000728054_100000729378 [0,2,0,0,0,0|2,0,0]=4 17875 B14R1.26 FCCCCCSc1cncc(c1)Br 62a_100000729378_100000728054 [0,2,0,0,0,0|2,0,0]=4 17876 B14R1.26 FCCCCCSc1cncc(c1)Cl 62a_100000049639_100000729378 [0,2,0,0,0,0|2,0,0]=4 17877 B14R1.26 FCCCCCSc1cncc(c1)Cl 62a_100000729378_100000049639 [0,2,0,0,0,0|2,0,0]=4 17878 B14R1.26 FCCCCCSc1cncc(c1)F 62a_100000729378_100000744099 [0,2,0,0,0,0|2,0,0]=4 17879 B14R1.26 FCCCCCSc1cncc(c1)F 62a_100000744099_100000729378 [0,2,0,0,0,0|2,0,0]=4 17880 B14R1.26 FCCCCNCc1cccc(c1)Br 2230a_100000174977_100000729493 [0,2,0,0,0,0|1,0,0]=3 17881 B14R1.26 FCCCCNCc1cccc(c1)Br 34a_100000174977_100000729493 [0,2,0,0,0,0|1,0,0]=3 17882 B14R1.26 FCCCCNCc1cccc(c1)Cl 2230a_100000174878_100000729493 [0,2,0,0,0,0|1,0,0]=3 17883 B14R1.26 FCCCCNCc1cccc(c1)Cl 34a_100000174878_100000729493 [0,2,0,0,0,0|1,0,0]=3 17884 B14R1.26 FCCCCNCc1cccc(c1)F 2230a_100000174948_100000729493 [0,2,0,0,0,0|1,0,0]=3 17885 B14R1.26 FCCCCNCc1cccc(c1)F 34a_100000174948_100000729493 [0,2,0,0,0,0|1,0,0]=3 17886 B14R1.26 FCCCCNCc1cccc(c1)I 2230a_100000106179_100000729493 [0,2,0,0,0,0|1,0,0]=3 17887 B14R1.26 FCCCCNCc1cccc(c1)I 34a_100000106179_100000729493 [0,2,0,0,0,0|1,0,0]=3 17888 B14R1.26 FCCCCNCc1cccc(n1)Br 2230a_100016987751_100000729493 [0,2,0,0,0,0|2,0,0]=4 17889 B14R1.26 FCCCCNCc1cccc(n1)Cl 2230a_100016990191_100000729493 [0,2,0,0,0,0|2,0,0]=4 17890 B14R1.26 FCCCCNCc1cccc(n1)F 2230a_100015188798_100000729493 [0,2,0,0,0,0|2,0,0]=4 17891 B14R1.26 FCCCCNCc1cccc(n1)F 34a_100015188798_100000729493 [0,2,0,0,0,0|2,0,0]=4 17892 B14R1.26 FCCCCNCc1ccnc(c1)Br 2230a_100025757509_100000729493 [0,2,0,0,0,0|2,0,0]=4 17893 B14R1.26 FCCCCNCc1ccnc(c1)Br 34a_100025757509_100000729493 [0,2,0,0,0,0|2,0,0]=4 17894 B14R1.26 FCCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000729493 [0,2,0,0,0,0|2,0,0]=4 17895 B14R1.26 FCCCCNCc1ccnc(c1)Cl 34a_100015205668_100000729493 [0,2,0,0,0,0|2,0,0]=4 17896 B14R1.26 FCCCCNCc1ccnc(c1)F 2230a_100015188774_100000729493 [0,2,0,0,0,0|2,0,0]=4 17897 B14R1.26 FCCCCNCc1ccnc(c1)F 34a_100015188774_100000729493 [0,2,0,0,0,0|2,0,0]=4 17898 B14R1.26 FCCCCNCc1cncc(c1)Cl 2230a_200020614424_100000729493 [0,2,0,0,0,0|2,0,0]=4 17899 B14R1.26 FCCCCNCc1cncc(c1)F 2230a_100011962886_100000729493 [0,2,0,0,0,0|2,0,0]=4 17900 B14R1.26 FCCCCNCc1cncc(c1)F 34a_100011962886_100000729493 [0,2,0,0,0,0|2,0,0]=4 17901 B14R1.26 FCCCCOCc1cc(ccn1)Br 34a_100011995726_100010173614 [0,2,0,0,0,0|2,0,0]=4 17902 B14R1.26 FCCCCOCc1cc(ccn1)Br 7a_100011995726_100010173614 [0,2,0,0,0,0|2,0,0]=4 17903 B14R1.26 FCCCCOCc1cc(ccn1)Cl 34a_100000748867_100000729493 [0,2,0,0,0,0|2,0,0]=4 17904 B14R1.26 FCCCCOCc1cc(ccn1)Cl 34a_100011995726_100016988179 [0,2,0,0,0,0|2,0,0]=4 17905 B14R1.26 FCCCCOCc1cc(ccn1)Cl 7a_100011995726_100016988179 [0,2,0,0,0,0|2,0,0]=4 17906 B14R1.26 FCCCCOCc1cccc(c1)Br 34a_100000687537_100000729493 [0,2,0,0,0,0|1,0,0]=3 17907 B14R1.26 FCCCCOCc1cccc(c1)Br 34a_100011995726_100000698116 [0,2,0,0,0,0|1,0,0]=3 17908 B14R1.26 FCCCCOCc1cccc(c1)Br 7a_100000687537_100000729493 [0,2,0,0,0,0|1,0,0]=3 17909 B14R1.26 FCCCCOCc1cccc(c1)Br 7a_100011995726_100000211773 [0,2,0,0,0,0|1,0,0]=3 17910 B14R1.26 FCCCCOCc1cccc(c1)Cl 34a_100000241301_100000729493 [0,2,0,0,0,0|1,0,0]=3 17911 B14R1.26 FCCCCOCc1cccc(c1)Cl 34a_100011995726_100000187163 [0,2,0,0,0,0|1,0,0]=3 17912 B14R1.26 FCCCCOCc1cccc(c1)Cl 7a_100000241301_100000729493 [0,2,0,0,0,0|1,0,0]=3 17913 B14R1.26 FCCCCOCc1cccc(c1)Cl 7a_100011995726_100000187163 [0,2,0,0,0,0|1,0,0]=3 17914 B14R1.26 FCCCCOCc1cccc(c1)F 34a_100000210976_100000729493 [0,2,0,0,0,0|1,0,0]=3 17915 B14R1.26 FCCCCOCc1cccc(c1)F 34a_100011995726_100000187166 [0,2,0,0,0,0|1,0,0]=3 17916 B14R1.26 FCCCCOCc1cccc(c1)F 7a_100000210976_100000729493 [0,2,0,0,0,0|1,0,0]=3 17917 B14R1.26 FCCCCOCc1cccc(c1)F 7a_100011995726_100000230114 [0,2,0,0,0,0|1,0,0]=3 17918 B14R1.26 FCCCCOCc1cccc(c1)I 34a_100011215336_100000729493 [0,2,0,0,0,0|1,0,0]=3 17919 B14R1.26 FCCCCOCc1cccc(c1)I 34a_100011995726_100011218688 [0,2,0,0,0,0|1,0,0]=3 17920 B14R1.26 FCCCCOCc1cccc(c1)I 7a_100011215336_100000729493 [0,2,0,0,0,0|1,0,0]=3 17921 B14R1.26 FCCCCOCc1cccc(c1)I 7a_100011995726_100011218688 [0,2,0,0,0,0|1,0,0]=3 17922 B14R1.26 FCCCCOCc1cccc(n1)Br 34a_100000694195_100000729493 [0,2,0,0,0,0|2,0,0]=4 17923 B14R1.26 FCCCCOCc1cccc(n1)Br 34a_100011995726_100009889011 [0,2,0,0,0,0|2,0,0]=4 17924 B14R1.26 FCCCCOCc1cccc(n1)Br 7a_100011995726_100009889011 [0,2,0,0,0,0|2,0,0]=4 17925 B14R1.26 FCCCCOCc1cccc(n1)Cl 34a_100011995726_100000086093 [0,2,0,0,0,0|2,0,0]=4 17926 B14R1.26 FCCCCOCc1cccc(n1)Cl 34a_100011998359_100000729493 [0,2,0,0,0,0|2,0,0]=4 17927 B14R1.26 FCCCCOCc1cccc(n1)Cl 7a_100011995726_100000086093 [0,2,0,0,0,0|2,0,0]=4 17928 B14R1.26 FCCCCOCc1cccc(n1)F 34a_100000086748_100000729493 [0,2,0,0,0,0|2,0,0]=4 17929 B14R1.26 FCCCCOCc1cccc(n1)F 34a_100011995726_100009819644 [0,2,0,0,0,0|2,0,0]=4 17930 B14R1.26 FCCCCOCc1cccc(n1)F 7a_100011995726_100009819644 [0,2,0,0,0,0|2,0,0]=4 17931 B14R1.26 FCCCCOCc1ccnc(c1)Br 34a_100009814636_100000729493 [0,2,0,0,0,0|2,0,0]=4 17932 B14R1.26 FCCCCOCc1ccnc(c1)Br 34a_100011995726_100010243470 [0,2,0,0,0,0|2,0,0]=4 17933 B14R1.26 FCCCCOCc1ccnc(c1)Br 7a_100009814636_100000729493 [0,2,0,0,0,0|2,0,0]=4 17934 B14R1.26 FCCCCOCc1ccnc(c1)Br 7a_100011995726_100010254460 [0,2,0,0,0,0|2,0,0]=4 17935 B14R1.26 FCCCCOCc1ccnc(c1)Cl 34a_100000748751_100000729493 [0,2,0,0,0,0|2,0,0]=4 17936 B14R1.26 FCCCCOCc1ccnc(c1)Cl 34a_100011995726_100000764220 [0,2,0,0,0,0|2,0,0]=4 17937 B14R1.26 FCCCCOCc1ccnc(c1)Cl 7a_100011995726_100000764220 [0,2,0,0,0,0|2,0,0]=4 17938 B14R1.26 FCCCCOCc1ccnc(c1)F 34a_100000082451_100000729493 [0,2,0,0,0,0|2,0,0]=4 17939 B14R1.26 FCCCCOCc1cncc(c1)Br 34a_100011259137_100000729493 [0,2,0,0,0,0|2,0,0]=4 17940 B14R1.26 FCCCCOCc1cncc(c1)Br 34a_100011995726_100000738771 [0,2,0,0,0,0|2,0,0]=4 17941 B14R1.26 FCCCCOCc1cncc(c1)Br 7a_100011259137_100000729493 [0,2,0,0,0,0|2,0,0]=4 17942 B14R1.26 FCCCCOCc1cncc(c1)Br 7a_100011995726_100000738771 [0,2,0,0,0,0|2,0,0]=4 17943 B14R1.26 FCCCCOCc1cncc(c1)Cl 34a_100000092867_100000729493 [0,2,0,0,0,0|2,0,0]=4 17944 B14R1.26 FCCCCOCc1cncc(c1)Cl 34a_100011995726_100016992070 [0,2,0,0,0,0|2,0,0]=4 17945 B14R1.26 FCCCCOCc1cncc(c1)Cl 7a_100000092867_100000729493 [0,2,0,0,0,0|2,0,0]=4 17946 B14R1.26 FCCCCOCc1cncc(c1)Cl 7a_100011995726_100016992070 [0,2,0,0,0,0|2,0,0]=4 17947 B14R1.26 FCCCCOCc1cncc(c1)F 34a_100011962875_100000729493 [0,2,0,0,0,0|2,0,0]=4 17948 B14R1.26 FCCCCOCc1cncc(c1)F 34a_100011995726_100000725299 [0,2,0,0,0,0|2,0,0]=4 17949 B14R1.26 FCCCCOCc1cncc(c1)F 7a_100011962875_100000729493 [0,2,0,0,0,0|2,0,0]=4 17950 B14R1.26 FCCCCOCc1cncc(c1)F 7a_100011995726_100000725299 [0,2,0,0,0,0|2,0,0]=4 17951 B14R1.26 FCCCCSCc1cc(ccn1)Br 62a_100000729493_100010173614 [0,2,0,0,0,0|2,0,0]=4 17952 B14R1.26 FCCCCSCc1cc(ccn1)Br 62a_100010173614_100000729493 [0,2,0,0,0,0|2,0,0]=4 17953 B14R1.26 FCCCCSCc1cc(ccn1)Cl 62a_100000729493_100016988179 [0,2,0,0,0,0|2,0,0]=4 17954 B14R1.26 FCCCCSCc1cc(ccn1)Cl 62a_100016988179_100000729493 [0,2,0,0,0,0|2,0,0]=4 17955 B14R1.26 FCCCCSCc1cccc(c1)Br 62a_100000211773_100000729493 [0,2,0,0,0,0|1,0,0]=3 17956 B14R1.26 FCCCCSCc1cccc(c1)Br 62a_100000729493_100000211773 [0,2,0,0,0,0|1,0,0]=3 17957 B14R1.26 FCCCCSCc1cccc(c1)Cl 62a_100000187163_100000729493 [0,2,0,0,0,0|1,0,0]=3 17958 B14R1.26 FCCCCSCc1cccc(c1)Cl 62a_100000729493_100000187163 [0,2,0,0,0,0|1,0,0]=3 17959 B14R1.26 FCCCCSCc1cccc(c1)F 62a_100000230114_100000729493 [0,2,0,0,0,0|1,0,0]=3 17960 B14R1.26 FCCCCSCc1cccc(c1)F 62a_100000729493_100000230114 [0,2,0,0,0,0|1,0,0]=3 17961 B14R1.26 FCCCCSCc1cccc(c1)I 62a_100000729493_100011218688 [0,2,0,0,0,0|1,0,0]=3 17962 B14R1.26 FCCCCSCc1cccc(c1)I 62a_100011218688_100000729493 [0,2,0,0,0,0|1,0,0]=3 17963 B14R1.26 FCCCCSCc1cccc(n1)Br 62a_100000729493_100009889011 [0,2,0,0,0,0|2,0,0]=4 17964 B14R1.26 FCCCCSCc1cccc(n1)Br 62a_100009889011_100000729493 [0,2,0,0,0,0|2,0,0]=4 17965 B14R1.26 FCCCCSCc1cccc(n1)Cl 62a_100000086093_100000729493 [0,2,0,0,0,0|2,0,0]=4 17966 B14R1.26 FCCCCSCc1cccc(n1)Cl 62a_100000729493_100000086093 [0,2,0,0,0,0|2,0,0]=4 17967 B14R1.26 FCCCCSCc1cccc(n1)F 62a_100000729493_100009819644 [0,2,0,0,0,0|2,0,0]=4 17968 B14R1.26 FCCCCSCc1cccc(n1)F 62a_100009819644_100000729493 [0,2,0,0,0,0|2,0,0]=4 17969 B14R1.26 FCCCCSCc1ccnc(c1)Br 62a_100000729493_100010243470 [0,2,0,0,0,0|2,0,0]=4 17970 B14R1.26 FCCCCSCc1ccnc(c1)Br 62a_100010254460_100000729493 [0,2,0,0,0,0|2,0,0]=4 17971 B14R1.26 FCCCCSCc1ccnc(c1)Cl 62a_100000729493_100000764220 [0,2,0,0,0,0|2,0,0]=4 17972 B14R1.26 FCCCCSCc1ccnc(c1)Cl 62a_100000764220_100000729493 [0,2,0,0,0,0|2,0,0]=4 17973 B14R1.26 FCCCCSCc1cncc(c1)Br 62a_100000729493_100000738771 [0,2,0,0,0,0|2,0,0]=4 17974 B14R1.26 FCCCCSCc1cncc(c1)Br 62a_100000738771_100000729493 [0,2,0,0,0,0|2,0,0]=4 17975 B14R1.26 FCCCCSCc1cncc(c1)Cl 62a_100000729493_100016992070 [0,2,0,0,0,0|2,0,0]=4 17976 B14R1.26 FCCCCSCc1cncc(c1)Cl 62a_100016992070_100000729493 [0,2,0,0,0,0|2,0,0]=4 17977 B14R1.26 FCCCCSCc1cncc(c1)F 62a_100000725299_100000729493 [0,2,0,0,0,0|2,0,0]=4 17978 B14R1.26 FCCCCSCc1cncc(c1)F 62a_100000729493_100000725299 [0,2,0,0,0,0|2,0,0]=4 17979 B14R1.26 FCCCNCCc1cccc(c1)Br 2230a_100011207229_100011934791 [0,2,0,0,0,0|1,0,0]=3 17980 B14R1.26 FCCCNCCc1cccc(c1)Br 2230a_100015189416_100011740638 [0,2,0,0,0,0|1,0,0]=3 17981 B14R1.26 FCCCNCCc1cccc(c1)Br 34a_100011207229_100011934791 [0,2,0,0,0,0|1,0,0]=3 17982 B14R1.26 FCCCNCCc1cccc(c1)Br 34a_100015189416_100011740638 [0,2,0,0,0,0|1,0,0]=3 17983 B14R1.26 FCCCNCCc1cccc(c1)Cl 2230a_100000185263_100011934791 [0,2,0,0,0,0|1,0,0]=3 17984 B14R1.26 FCCCNCCc1cccc(c1)Cl 2230a_100015189416_100011713710 [0,2,0,0,0,0|1,0,0]=3 17985 B14R1.26 FCCCNCCc1cccc(c1)Cl 34a_100000185263_100011934791 [0,2,0,0,0,0|1,0,0]=3 17986 B14R1.26 FCCCNCCc1cccc(c1)Cl 34a_100015189416_100011713710 [0,2,0,0,0,0|1,0,0]=3 17987 B14R1.26 FCCCNCCc1cccc(c1)F 2230a_100000205154_100011934791 [0,2,0,0,0,0|1,0,0]=3 17988 B14R1.26 FCCCNCCc1cccc(c1)F 2230a_100015189416_100011217235 [0,2,0,0,0,0|1,0,0]=3 17989 B14R1.26 FCCCNCCc1cccc(c1)F 34a_100000205154_100011934791 [0,2,0,0,0,0|1,0,0]=3 17990 B14R1.26 FCCCNCCc1cccc(c1)F 34a_100015189416_100011217235 [0,2,0,0,0,0|1,0,0]=3 17991 B14R1.26 FCCCOCCc1cccc(c1)Br 34a_100000759539_100011740638 [0,2,0,0,0,0|1,0,0]=3 17992 B14R1.26 FCCCOCCc1cccc(c1)Br 34a_100011217444_100011934791 [0,2,0,0,0,0|1,0,0]=3 17993 B14R1.26 FCCCOCCc1cccc(c1)Br 7a_100011217444_100011934791 [0,2,0,0,0,0|1,0,0]=3 17994 B14R1.26 FCCCOCCc1cccc(c1)Cl 34a_100000754733_100011934791 [0,2,0,0,0,0|1,0,0]=3 17995 B14R1.26 FCCCOCCc1cccc(c1)Cl 34a_100000759539_100011713710 [0,2,0,0,0,0|1,0,0]=3 17996 B14R1.26 FCCCOCCc1cccc(c1)Cl 7a_100000754733_100011934791 [0,2,0,0,0,0|1,0,0]=3 17997 B14R1.26 FCCCOCCc1cccc(c1)F 34a_100000759539_100011217235 [0,2,0,0,0,0|1,0,0]=3 17998 B14R1.26 FCCCOCCc1cccc(c1)F 34a_100000763591_100011934791 [0,2,0,0,0,0|1,0,0]=3 17999 B14R1.26 FCCCOCCc1cccc(c1)F 7a_100000763591_100011934791 [0,2,0,0,0,0|1,0,0]=3 18000 B14R1.26 FCCCOCCc1cccc(n1)Br 34a_100010221043_100011934791 [0,2,0,0,0,0|2,0,0]=4 18001 B14R1.26 FCCCOCCc1cccc(n1)Br 7a_100010221043_100011934791 [0,2,0,0,0,0|2,0,0]=4 18002 B14R1.26 FCCCSCCc1cccc(c1)Br 62a_100011740638_100011934791 [0,2,0,0,0,0|1,0,0]=3 18003 B14R1.26 FCCCSCCc1cccc(c1)Br 62a_100011934791_100011740638 [0,2,0,0,0,0|1,0,0]=3 18004 B14R1.26 FCCCSCCc1cccc(c1)Cl 62a_100011713710_100011934791 [0,2,0,0,0,0|1,0,0]=3 18005 B14R1.26 FCCCSCCc1cccc(c1)Cl 62a_100011934791_100011713710 [0,2,0,0,0,0|1,0,0]=3 18006 B14R1.26 FCCCSCCc1cccc(c1)F 62a_100011217235_100011934791 [0,2,0,0,0,0|1,0,0]=3 18007 B14R1.26 FCCCSCCc1cccc(c1)F 62a_100011934791_100011217235 [0,2,0,0,0,0|1,0,0]=3 18008 B14R1.26 FCCNCCCc1cccc(c1)Br 2230a_100000753791_100011217306 [0,2,0,0,0,0|1,0,0]=3 18009 B14R1.26 FCCNCCCc1cccc(c1)Br 34a_100000724931_100011713683 [0,2,0,0,0,0|1,0,0]=3 18010 B14R1.26 FCCNCCCc1cccc(c1)Br 34a_100000753791_100011217306 [0,2,0,0,0,0|1,0,0]=3 18011 B14R1.26 FCCNCCCc1cccc(c1)Cl 2230a_100000704586_100011217306 [0,2,0,0,0,0|1,0,0]=3 18012 B14R1.26 FCCNCCCc1cccc(c1)Cl 34a_100000704586_100011217306 [0,2,0,0,0,0|1,0,0]=3 18013 B14R1.26 FCCNCCCc1cccc(c1)F 2230a_100000754185_100011217306 [0,2,0,0,0,0|1,0,0]=3 18014 B14R1.26 FCCNCCCc1cccc(c1)F 34a_100000724931_200000698031 [0,2,0,0,0,0|1,0,0]=3 18015 B14R1.26 FCCNCCCc1cccc(c1)F 34a_100000754185_100011217306 [0,2,0,0,0,0|1,0,0]=3 18016 B14R1.26 FCCNCCOc1cccc(c1)Br 2230a_100000743521_100011217306 [0,2,0,0,0,0|2,0,0]=4 18017 B14R1.26 FCCNCCOc1cccc(c1)Br 34a_100000724931_100000183150 [0,2,0,0,0,0|2,0,0]=4 18018 B14R1.26 FCCNCCOc1cccc(c1)Br 34a_100000743521_100011217306 [0,2,0,0,0,0|2,0,0]=4 18019 B14R1.26 FCCNCCOc1cccc(c1)Cl 2230a_100000740232_100011217306 [0,2,0,0,0,0|2,0,0]=4 18020 B14R1.26 FCCNCCOc1cccc(c1)Cl 34a_100000724931_100000181161 [0,2,0,0,0,0|2,0,0]=4 18021 B14R1.26 FCCNCCOc1cccc(c1)Cl 34a_100000740232_100011217306 [0,2,0,0,0,0|2,0,0]=4 18022 B14R1.26 FCCNCCOc1cccc(c1)F 2230a_100000738948_100011217306 [0,2,0,0,0,0|2,0,0]=4 18023 B14R1.26 FCCNCCOc1cccc(c1)F 34a_100000724931_100000739188 [0,2,0,0,0,0|2,0,0]=4 18024 B14R1.26 FCCNCCOc1cccc(c1)F 34a_100000738948_100011217306 [0,2,0,0,0,0|2,0,0]=4 18025 B14R1.26 FCCOCCCc1cccc(c1)Br 34a_100011709248_100011217306 [0,2,0,0,0,0|1,0,0]=3 18026 B14R1.26 FCCOCCCc1cccc(c1)Br 7a_100011709248_100011217306 [0,2,0,0,0,0|1,0,0]=3 18027 B14R1.26 FCCOCCCc1cccc(c1)Cl 34a_100011709246_100011217306 [0,2,0,0,0,0|1,0,0]=3 18028 B14R1.26 FCCOCCCc1cccc(c1)Cl 7a_100011709246_100011217306 [0,2,0,0,0,0|1,0,0]=3 18029 B14R1.26 FCCOCCOc1cccc(c1)Br 34a_100000757546_100011217306 [0,2,0,0,0,0|2,0,0]=4 18030 B14R1.26 FCCOCCOc1cccc(c1)Br 7a_100000757546_100011217306 [0,2,0,0,0,0|2,0,0]=4 18031 B14R1.26 FCCOCCOc1cccc(c1)Cl 34a_100000230539_100011217306 [0,2,0,0,0,0|2,0,0]=4 18032 B14R1.26 FCCOCCOc1cccc(c1)Cl 7a_100000230539_100011217306 [0,2,0,0,0,0|2,0,0]=4 18033 B14R1.26 FCCOCCSc1cccc(c1)Br 7a_200011756134_100011217306 [0,2,0,0,0,0|2,0,0]=4 18034 B14R1.26 FCCOCCSc1cccc(c1)Cl 34a_200011721761_100011217306 [0,2,0,0,0,0|2,0,0]=4 18035 B14R1.26 FCCOCCSc1cccc(c1)Cl 7a_200011721761_100011217306 [0,2,0,0,0,0|2,0,0]=4 18036 B14R1.26 FCCOCCSc1cccc(c1)F 34a_200011996949_100011217306 [0,2,0,0,0,0|2,0,0]=4 18037 B14R1.26 FCCOCCSc1cccc(c1)F 7a_200011996949_100011217306 [0,2,0,0,0,0|2,0,0]=4 18038 B14R1.26 FCCSCCCc1cccc(c1)Br 62a_100011217306_100011713683 [0,2,0,0,0,0|1,0,0]=3 18039 B14R1.26 FCCSCCCc1cccc(c1)Br 62a_100011713683_100011217306 [0,2,0,0,0,0|1,0,0]=3 18040 B14R1.26 FCCSCCCc1cccc(c1)F 62a_100011217306_200000698031 [0,2,0,0,0,0|1,0,0]=3 18041 B14R1.26 FCCSCCCc1cccc(c1)F 62a_200000698031_100011217306 [0,2,0,0,0,0|1,0,0]=3 18042 B14R1.26 FCCSCCOc1cccc(c1)Br 62a_100000183150_100011217306 [0,2,0,0,0,0|2,0,0]=4 18043 B14R1.26 FCCSCCOc1cccc(c1)Br 62a_100011217306_100000183150 [0,2,0,0,0,0|2,0,0]=4 18044 B14R1.26 FCCSCCOc1cccc(c1)Cl 62a_100000181161_100011217306 [0,2,0,0,0,0|2,0,0]=4 18045 B14R1.26 FCCSCCOc1cccc(c1)Cl 62a_100011217306_100000181161 [0,2,0,0,0,0|2,0,0]=4 18046 B14R1.26 FCCSCCOc1cccc(c1)F 62a_100000739188_100011217306 [0,2,0,0,0,0|2,0,0]=4 18047 B14R1.26 FCCSCCOc1cccc(c1)F 62a_100011217306_100000739188 [0,2,0,0,0,0|2,0,0]=4 18048 B14R1.26 FCNCCCOc1cccc(c1)Cl 34a_100011220311_100015361967 [0,2,0,0,0,0|2,0,0]=4 18049 B14R1.26 FCNCCCOc1cccc(c1)F 34a_100102661586_100015361967 [0,2,0,0,0,0|2,0,0]=4 18050 B14R1.26 FCNCCSCc1cccc(c1)Cl 34a_200011225440_100015361967 [0,2,0,0,0,0|2,0,0]=4 18051 B14R1.26 FCNCCSCc1cccc(c1)Cl 7a_200011225440_100015361967 [0,2,0,0,0,0|2,0,0]=4 18052 B14R1.26 FCOCCCOc1cccc(c1)F 34a_200011305857_100015361967 [0,2,0,0,0,0|2,0,0]=4 18053 B14R1.26 FCOCCCOc1cccc(c1)F 7a_200011305857_100015361967 [0,2,0,0,0,0|2,0,0]=4 18054 B14R1.26 FCOCCNCc1cccc(c1)Cl 34a_100000719050_100015361967 [0,2,0,0,0,0|2,0,0]=4 18055 B14R1.26 FCOCCSCc1cccc(c1)F 34a_100011212928_100015361967 [0,2,0,0,0,0|2,0,0]=4 18056 B14R1.26 FCOCCSCc1cccc(c1)F 7a_100011212928_100015361967 [0,2,0,0,0,0|2,0,0]=4 18057 B14R1.26 FCSCCCOc1cccc(c1)Cl 62a_100000742658_100015361967 [0,2,0,0,0,0|2,0,0]=4 18058 B14R1.26 FCSCCCOc1cccc(c1)Cl 62a_100015361967_100000742658 [0,2,0,0,0,0|2,0,0]=4 18059 B14R1.26 Fc1cccc(c1)CCCOCCBr 34a_100000211926_200000698031 [0,2,0,0,0,0|1,0,0]=3 18060 B14R1.26 Fc1cccc(c1)CCOCCCBr 34a_100011217188_100011217235 [0,2,0,0,0,0|1,0,0]=3 18061 B14R1.26 Fc1cccc(c1)CCOCCCCl 34a_100000230001_100011217235 [0,2,0,0,0,0|1,0,0]=3 18062 B14R1.26 Fc1cccc(c1)COCCCCBr 34a_100011216708_100000187166 [0,2,0,0,0,0|1,0,0]=3 18063 B14R1.26 Fc1cccc(c1)COCCCCCl 34a_100000210776_100000187166 [0,2,0,0,0,0|1,0,0]=3 18064 B14R1.26 Fc1cccc(c1)COCCCCCl 7a_100000210776_100000230114 [0,2,0,0,0,0|1,0,0]=3 18065 B14R1.26 Fc1cccc(c1)COCCCCI 34a_200012148704_100000187166 [0,2,0,0,0,0|1,0,0]=3 18066 B14R1.26 Fc1cccc(c1)OCCOCCBr 34a_100000211926_100000739188 [0,2,0,0,0,0|2,0,0]=4 18067 B14R1.26 Fc1cccc(n1)COCCCCBr 34a_100011216708_100009819644 [0,2,0,0,0,0|2,0,0]=4 18068 B14R1.26 Fc1cccc(n1)COCCCCCl 34a_100000210776_100009819644 [0,2,0,0,0,0|2,0,0]=4 18069 B14R1.26 Fc1cccc(n1)COCCCCCl 7a_100000210776_100009819644 [0,2,0,0,0,0|2,0,0]=4 18070 B14R1.26 Fc1cccc(n1)COCCCCI 34a_200012148704_100009819644 [0,2,0,0,0,0|2,0,0]=4 18071 B14R1.26 Fc1cncc(c1)COCCCCBr 34a_100011216708_100000725299 [0,2,0,0,0,0|2,0,0]=4 18072 B14R1.26 Fc1cncc(c1)COCCCCCl 34a_100000210776_100000725299 [0,2,0,0,0,0|2,0,0]=4 18073 B14R1.26 Fc1cncc(c1)COCCCCCl 7a_100000210776_100000725299 [0,2,0,0,0,0|2,0,0]=4 18074 B14R1.26 Fc1cncc(c1)COCCCCI 34a_200012148704_100000725299 [0,2,0,0,0,0|2,0,0]=4 18075 B14R1.26 ICCCCOCc1cccc(c1)I 34a_200012148704_100011218688 [0,2,0,0,0,0|1,0,0]=3 18076 B14R1.26 N#CCCCCOc1cccc(c1)Br 7a_100000210342_100000211819 [0,2,0,0,0,0|1,0,1]=4 18077 B14R1.26 N#CCCCCOc1cccc(c1)Cl 7a_100000210295_100000211819 [0,2,0,0,0,0|1,0,1]=4 18078 B14R1.26 N#CCCCCOc1cccc(c1)F 7a_100000210426_100000211819 [0,2,0,0,0,0|1,0,1]=4 18079 B14R1.26 N#CCCCCOc1cccc(c1)I 7a_100000211634_100000211819 [0,2,0,0,0,0|1,0,1]=4 18080 B14R1.26 N#CCCCCSc1cccc(c1)Br 62a_100000691529_100000211819 [0,2,0,0,0,0|1,0,1]=4 18081 B14R1.26 N#CCCCCSc1cccc(c1)Br 62a_100011219923_100000691529 [0,2,0,0,0,0|1,0,1]=4 18082 B14R1.26 N#CCCCCSc1cccc(c1)Cl 62a_100000699651_100000211819 [0,2,0,0,0,0|1,0,1]=4 18083 B14R1.26 N#CCCCCSc1cccc(c1)Cl 62a_100011219923_100000699651 [0,2,0,0,0,0|1,0,1]=4 18084 B14R1.26 N#CCCCCSc1cccc(c1)F 62a_100000685547_100000211819 [0,2,0,0,0,0|1,0,1]=4 18085 B14R1.26 N#CCCCCSc1cccc(c1)F 62a_100011219923_100000685547 [0,2,0,0,0,0|1,0,1]=4 18086 B14R1.26 N#CCCCCSc1cccc(c1)N 62a_100000210019_100000211819 [0,2,0,0,0,0|1,0,1]=4 18087 B14R1.26 N#CCCCCSc1cccc(c1)N 62a_100011219923_100000210019 [0,2,0,0,0,0|1,0,1]=4 18088 B14R1.26 N#CCCCCSc1cccc(c1)O 62a_100011219923_100000211634 [0,2,0,0,0,0|1,0,1]=4 18089 B14R1.26 N#CCCCCSc1cccc(c1)[S] 62a_100011219923_114929384022 [0,2,0,0,0,0|1,0,1]=4 18090 B14R1.26 N#CCCCCSc1cccc(c1)[S] 62a_114929384022_100000211819 [0,2,0,0,0,0|1,0,1]=4 18091 B14R1.26 N#CCCCNCc1cccc(c1)Br 2230a_100000174977_100000687738 [0,2,0,0,0,0|1,0,1]=4 18092 B14R1.26 N#CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000687738 [0,2,0,0,0,0|1,0,1]=4 18093 B14R1.26 N#CCCCNCc1cccc(c1)F 2230a_100000174948_100000687738 [0,2,0,0,0,0|1,0,1]=4 18094 B14R1.26 N#CCCCNCc1cccc(c1)I 2230a_100000106179_100000687738 [0,2,0,0,0,0|1,0,1]=4 18095 B14R1.26 N#CCCCNCc1cccc(c1)O 2230a_100000743036_100000687738 [0,2,0,0,0,0|1,0,1]=4 18096 B14R1.26 N#CCCCOCc1cccc(c1)Br 7a_100000687537_100000687738 [0,2,0,0,0,0|1,0,1]=4 18097 B14R1.26 N#CCCCOCc1cccc(c1)Cl 7a_100000241301_100000687738 [0,2,0,0,0,0|1,0,1]=4 18098 B14R1.26 N#CCCCOCc1cccc(c1)F 7a_100000210976_100000687738 [0,2,0,0,0,0|1,0,1]=4 18099 B14R1.26 N#CCCCOCc1cccc(c1)I 7a_100011215336_100000687738 [0,2,0,0,0,0|1,0,1]=4 18100 B14R1.26 N#CCCCSCc1cccc(c1)Br 62a_100000211773_100000687738 [0,2,0,0,0,0|1,0,1]=4 18101 B14R1.26 N#CCCCSCc1cccc(c1)Br 62a_100000687738_100000211773 [0,2,0,0,0,0|1,0,1]=4 18102 B14R1.26 N#CCCCSCc1cccc(c1)Cl 62a_100000187163_100000687738 [0,2,0,0,0,0|1,0,1]=4 18103 B14R1.26 N#CCCCSCc1cccc(c1)Cl 62a_100000687738_100000187163 [0,2,0,0,0,0|1,0,1]=4 18104 B14R1.26 N#CCCCSCc1cccc(c1)F 62a_100000230114_100000687738 [0,2,0,0,0,0|1,0,1]=4 18105 B14R1.26 N#CCCCSCc1cccc(c1)F 62a_100000687738_100000230114 [0,2,0,0,0,0|1,0,1]=4 18106 B14R1.26 N#CCCCSCc1cccc(c1)I 62a_100000687738_100011218688 [0,2,0,0,0,0|1,0,1]=4 18107 B14R1.26 N#CCCCSCc1cccc(c1)I 62a_100011218688_100000687738 [0,2,0,0,0,0|1,0,1]=4 18108 B14R1.26 N#CCCCSCc1cccc(c1)O 62a_100000687738_100011660834 [0,2,0,0,0,0|1,0,1]=4 18109 B14R1.26 N#CCCCSCc1cccc(c1)O 62a_100011660834_100000687738 [0,2,0,0,0,0|1,0,1]=4 18110 B14R1.26 N#CCCNCCc1cccc(c1)Br 2230a_100011207229_100011215226 [0,2,0,0,0,0|1,0,1]=4 18111 B14R1.26 N#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100011215226 [0,2,0,0,0,0|1,0,1]=4 18112 B14R1.26 N#CCCNCCc1cccc(c1)F 2230a_100000205154_100011215226 [0,2,0,0,0,0|1,0,1]=4 18113 B14R1.26 N#CCCNCCc1cccc(c1)O 2230a_100000747277_100011215226 [0,2,0,0,0,0|1,0,1]=4 18114 B14R1.26 N#CCCOCCc1cccc(c1)Br 7a_100011217444_100000184422 [0,2,0,0,0,0|1,0,1]=4 18115 B14R1.26 N#CCCOCCc1cccc(c1)Cl 7a_100000754733_100000184422 [0,2,0,0,0,0|1,0,1]=4 18116 B14R1.26 N#CCCOCCc1cccc(c1)F 7a_100000763591_100000184422 [0,2,0,0,0,0|1,0,1]=4 18117 B14R1.26 N#CCCSCCc1cccc(c1)Br 62a_100011215226_100011740638 [0,2,0,0,0,0|1,0,1]=4 18118 B14R1.26 N#CCCSCCc1cccc(c1)Br 62a_100011740638_100011215226 [0,2,0,0,0,0|1,0,1]=4 18119 B14R1.26 N#CCCSCCc1cccc(c1)Cl 62a_100011215226_100011713710 [0,2,0,0,0,0|1,0,1]=4 18120 B14R1.26 N#CCCSCCc1cccc(c1)Cl 62a_100011713710_100011215226 [0,2,0,0,0,0|1,0,1]=4 18121 B14R1.26 N#CCCSCCc1cccc(c1)F 62a_100011215226_100011217235 [0,2,0,0,0,0|1,0,1]=4 18122 B14R1.26 N#CCCSCCc1cccc(c1)F 62a_100011217235_100011215226 [0,2,0,0,0,0|1,0,1]=4 18123 B14R1.26 N#CCNCCCc1cccc(c1)Br 2230a_100000753791_100011215382 [0,2,0,0,0,0|1,0,1]=4 18124 B14R1.26 N#CCNCCCc1cccc(c1)Cl 2230a_100000704586_100011215382 [0,2,0,0,0,0|1,0,1]=4 18125 B14R1.26 N#CCNCCCc1cccc(c1)F 2230a_100000754185_100011215382 [0,2,0,0,0,0|1,0,1]=4 18126 B14R1.26 N#CCOCCCc1cccc(c1)Br 7a_100011709248_100011215382 [0,2,0,0,0,0|1,0,1]=4 18127 B14R1.26 N#CCOCCCc1cccc(c1)Cl 7a_100011709246_100011215382 [0,2,0,0,0,0|1,0,1]=4 18128 B14R1.26 N#CCOCCCc1cccc(c1)N 7a_200000698965_100011215382 [0,2,0,0,0,0|1,0,1]=4 18129 B14R1.26 N#CCSCCCc1cccc(c1)Br 62a_100011215382_100011713683 [0,2,0,0,0,0|1,0,1]=4 18130 B14R1.26 N#CCSCCCc1cccc(c1)Br 62a_100011713683_100011215382 [0,2,0,0,0,0|1,0,1]=4 18131 B14R1.26 N#CCSCCCc1cccc(c1)F 62a_100011215382_200000698031 [0,2,0,0,0,0|1,0,1]=4 18132 B14R1.26 N#CCSCCCc1cccc(c1)F 62a_200000698031_100011215382 [0,2,0,0,0,0|1,0,1]=4 18133 B14R1.26 NCCCCOCc1cc(ccn1)Br 34a_100000750430_100010173614 [0,2,0,0,0,0|2,0,0]=4 18134 B14R1.26 NCCCCOCc1cc(ccn1)Cl 34a_100000750430_100016988179 [0,2,0,0,0,0|2,0,0]=4 18135 B14R1.26 NCCCCOCc1cccc(c1)Br 34a_100000750430_100000698116 [0,2,0,0,0,0|1,0,0]=3 18136 B14R1.26 NCCCCOCc1cccc(c1)Cl 34a_100000750430_100000187163 [0,2,0,0,0,0|1,0,0]=3 18137 B14R1.26 NCCCCOCc1cccc(c1)F 34a_100000750430_100000187166 [0,2,0,0,0,0|1,0,0]=3 18138 B14R1.26 NCCCCOCc1cccc(c1)I 34a_100000750430_100011218688 [0,2,0,0,0,0|1,0,0]=3 18139 B14R1.26 NCCCCOCc1cccc(c1)O 34a_100000750430_100011660834 [0,2,0,0,0,0|1,0,0]=3 18140 B14R1.26 NCCCCOCc1cccc(n1)Br 34a_100000750430_100009889011 [0,2,0,0,0,0|2,0,0]=4 18141 B14R1.26 NCCCCOCc1cccc(n1)Cl 34a_100000750430_100000086093 [0,2,0,0,0,0|2,0,0]=4 18142 B14R1.26 NCCCCOCc1cccc(n1)F 34a_100000750430_100009819644 [0,2,0,0,0,0|2,0,0]=4 18143 B14R1.26 NCCCCOCc1ccnc(c1)Br 34a_100000750430_100010243470 [0,2,0,0,0,0|2,0,0]=4 18144 B14R1.26 NCCCCOCc1ccnc(c1)Cl 34a_100000750430_100000764220 [0,2,0,0,0,0|2,0,0]=4 18145 B14R1.26 NCCCCOCc1cncc(c1)Br 34a_100000750430_100000738771 [0,2,0,0,0,0|2,0,0]=4 18146 B14R1.26 NCCCCOCc1cncc(c1)Cl 34a_100000750430_100016992070 [0,2,0,0,0,0|2,0,0]=4 18147 B14R1.26 NCCCCOCc1cncc(c1)F 34a_100000750430_100000725299 [0,2,0,0,0,0|2,0,0]=4 18148 B14R1.26 NCCCOCCc1cccc(c1)Br 34a_100000182051_100011740638 [0,2,0,0,0,0|1,0,0]=3 18149 B14R1.26 NCCCOCCc1cccc(c1)Cl 34a_100000182051_100011713710 [0,2,0,0,0,0|1,0,0]=3 18150 B14R1.26 NCCCOCCc1cccc(c1)F 34a_100000182051_100011217235 [0,2,0,0,0,0|1,0,0]=3 18151 B14R1.26 NCCOCCCc1cccc(c1)Br 34a_100000210304_100011713683 [0,2,0,0,0,0|1,0,0]=3 18152 B14R1.26 NCCOCCCc1cccc(c1)F 34a_100000210304_200000698031 [0,2,0,0,0,0|1,0,0]=3 18153 B14R1.26 NCCOCCOc1cccc(c1)Br 34a_100000210304_100000183150 [0,2,0,0,0,0|2,0,0]=4 18154 B14R1.26 NCCOCCOc1cccc(c1)Cl 34a_100000210304_100000181161 [0,2,0,0,0,0|2,0,0]=4 18155 B14R1.26 NCCOCCOc1cccc(c1)F 34a_100000210304_100000739188 [0,2,0,0,0,0|2,0,0]=4 18156 B14R1.26 NOCCOCCc1cccc(c1)Br 34a_100000700252_100011740638 [0,2,0,0,0,0|1,0,0]=3 18157 B14R1.26 NOCCOCCc1cccc(c1)Cl 34a_100000700252_100011713710 [0,2,0,0,0,0|1,0,0]=3 18158 B14R1.26 NOCCOCCc1cccc(c1)F 34a_100000700252_100011217235 [0,2,0,0,0,0|1,0,0]=3 18159 B14R1.26 Nc1cc(ccn1)OCCCCCF 34a_100011834064_100000729378 [0,2,0,0,0,0|2,0,0]=4 18160 B14R1.26 Nc1cc(ccn1)OCCCCCO 34a_100011834064_100000746330 [0,2,0,0,0,0|1,0,0]=3 18161 B14R1.26 Nc1cc(ccn1)OCCOCCO 34a_100011834064_100000692535 [0,2,0,0,0,0|2,0,0]=4 18162 B14R1.26 Nc1cc(ccn1)SCCCCCF 62a_100000049665_100000729378 [0,2,0,0,0,0|2,0,0]=4 18163 B14R1.26 Nc1cc(ccn1)SCCCCCF 62a_100000729378_100000049665 [0,2,0,0,0,0|2,0,0]=4 18164 B14R1.26 Nc1cc(ccn1)SCCCCCO 62a_100000049665_100000746330 [0,2,0,0,0,0|1,0,0]=3 18165 B14R1.26 Nc1cc(ccn1)SCCCCCO 62a_100000746330_100000049665 [0,2,0,0,0,0|1,0,0]=3 18166 B14R1.26 Nc1cc(ccn1)SCCOCCO 62a_100000049665_100011215305 [0,2,0,0,0,0|2,0,0]=4 18167 B14R1.26 Nc1cc(ccn1)SCCOCCO 62a_100011215305_100000049665 [0,2,0,0,0,0|2,0,0]=4 18168 B14R1.26 Nc1cc(cnn1)OCCCCCO 34a_200015193112_100000746330 [0,2,0,0,0,0|2,0,0]=4 18169 B14R1.26 Nc1cc(cnn1)SCCCCCO 62a_100000130277_100000746330 [0,2,0,0,0,0|2,0,0]=4 18170 B14R1.26 Nc1cc(cnn1)SCCCCCO 62a_100000746330_100000130277 [0,2,0,0,0,0|2,0,0]=4 18171 B14R1.26 Nc1cc(ncn1)NCCCCCO 27a_100000762737_100000701291 [0,2,0,0,0,0|2,0,0]=4 18172 B14R1.26 Nc1cc(ncn1)SCCCCCO 62a_100000701291_100000746330 [0,2,0,0,0,0|2,0,0]=4 18173 B14R1.26 Nc1cc(ncn1)SCCCCCO 62a_100000746330_100000701291 [0,2,0,0,0,0|2,0,0]=4 18174 B14R1.26 Nc1cccc(c1)CCCOCC=O 34a_200000698965_200009817547 [0,2,0,0,0,0|0,0,2]=4 18175 B14R1.26 Nc1cccc(c1)CCCOCC=O 7a_200000698965_200015260668 [0,2,0,0,0,0|0,0,2]=4 18176 B14R1.26 Nc1cccc(c1)CCCOCCF 34a_200000698965_100011217306 [0,2,0,0,0,0|1,0,0]=3 18177 B14R1.26 Nc1cccc(c1)CCCOCCF 7a_200000698965_100011217306 [0,2,0,0,0,0|1,0,0]=3 18178 B14R1.26 Nc1cccc(c1)CCCOCCO 34a_200000698965_100000211926 [0,2,0,0,0,0|0,0,0]=2 18179 B14R1.26 Nc1cccc(c1)CCCOCCO 7a_200000698965_100000211926 [0,2,0,0,0,0|0,0,0]=2 18180 B14R1.26 Nc1cccc(c1)CCOCCCF 34a_100011996697_100011934791 [0,2,0,0,0,0|1,0,0]=3 18181 B14R1.26 Nc1cccc(c1)CCOCCCO 34a_100011996697_100000230001 [0,2,0,0,0,0|0,0,0]=2 18182 B14R1.26 Nc1cccc(c1)COCC#CCO 34a_100000211919_200000047223 [0,2,0,0,0,0|0,0,2]=4 18183 B14R1.26 Nc1cccc(c1)COCCCCF 34a_100000211919_100000729493 [0,2,0,0,0,0|1,0,0]=3 18184 B14R1.26 Nc1cccc(c1)COCCCCO 34a_100000211919_100011216708 [0,2,0,0,0,0|0,0,0]=2 18185 B14R1.26 Nc1cccc(c1)OCCCCCF 34a_100000210217_100000729378 [0,2,0,0,0,0|1,0,0]=3 18186 B14R1.26 Nc1cccc(c1)OCCCCCO 34a_100000210217_100000746330 [0,2,0,0,0,0|0,0,0]=2 18187 B14R1.26 Nc1cccc(c1)OCCOCCF 34a_100011232151_100011217306 [0,2,0,0,0,0|2,0,0]=4 18188 B14R1.26 Nc1cccc(c1)OCCOCCO 34a_100000210217_100000692535 [0,2,0,0,0,0|1,0,0]=3 18189 B14R1.26 Nc1cccc(c1)OCCOCCO 34a_100011232151_100000211926 [0,2,0,0,0,0|1,0,0]=3 18190 B14R1.26 Nc1cccc(c1)SCCCCC=O 62a_100000139335_100000210019 [0,2,0,0,0,0|0,0,2]=4 18191 B14R1.26 Nc1cccc(c1)SCCCCC=O 62a_100000210019_100000139335 [0,2,0,0,0,0|0,0,2]=4 18192 B14R1.26 Nc1cccc(c1)SCCCCCF 62a_100000210019_100000729378 [0,2,0,0,0,0|1,0,0]=3 18193 B14R1.26 Nc1cccc(c1)SCCCCCF 62a_100000729378_100000210019 [0,2,0,0,0,0|1,0,0]=3 18194 B14R1.26 Nc1cccc(c1)SCCCCCO 62a_100000210019_100000746330 [0,2,0,0,0,0|0,0,0]=2 18195 B14R1.26 Nc1cccc(c1)SCCCCCO 62a_100000746330_100000210019 [0,2,0,0,0,0|0,0,0]=2 18196 B14R1.26 Nc1cccc(c1)SCCOCCO 62a_100000210019_100011215305 [0,2,0,0,0,0|1,0,0]=3 18197 B14R1.26 Nc1cccc(c1)SCCOCCO 62a_100011215305_100000210019 [0,2,0,0,0,0|1,0,0]=3 18198 B14R1.26 Nc1cccc(n1)SCCCCCF 62a_100000729378_100000740741 [0,2,0,0,0,0|2,0,0]=4 18199 B14R1.26 Nc1cccc(n1)SCCCCCF 62a_100000740741_100000729378 [0,2,0,0,0,0|2,0,0]=4 18200 B14R1.26 Nc1cccc(n1)SCCCCCO 62a_100000740741_100000746330 [0,2,0,0,0,0|1,0,0]=3 18201 B14R1.26 Nc1cccc(n1)SCCCCCO 62a_100000746330_100000740741 [0,2,0,0,0,0|1,0,0]=3 18202 B14R1.26 Nc1cccc(n1)SCCOCCO 62a_100000740741_100011215305 [0,2,0,0,0,0|2,0,0]=4 18203 B14R1.26 Nc1cccc(n1)SCCOCCO 62a_100011215305_100000740741 [0,2,0,0,0,0|2,0,0]=4 18204 B14R1.26 Nc1ccnc(c1)COCCCCF 34a_100000692640_100000729493 [0,2,0,0,0,0|2,0,0]=4 18205 B14R1.26 Nc1ccnc(c1)COCCCCO 34a_100000692640_100011216708 [0,2,0,0,0,0|1,0,0]=3 18206 B14R1.26 Nc1ccnc(c1)SCCCCCF 62a_100000729378_100009814236 [0,2,0,0,0,0|2,0,0]=4 18207 B14R1.26 Nc1ccnc(c1)SCCCCCF 62a_100009814236_100000729378 [0,2,0,0,0,0|2,0,0]=4 18208 B14R1.26 Nc1ccnc(c1)SCCCCCO 62a_100000746330_100009814236 [0,2,0,0,0,0|1,0,0]=3 18209 B14R1.26 Nc1ccnc(c1)SCCCCCO 62a_100009814236_100000746330 [0,2,0,0,0,0|1,0,0]=3 18210 B14R1.26 Nc1ccnc(c1)SCCOCCO 62a_100009814236_100011215305 [0,2,0,0,0,0|2,0,0]=4 18211 B14R1.26 Nc1ccnc(c1)SCCOCCO 62a_100011215305_100009814236 [0,2,0,0,0,0|2,0,0]=4 18212 B14R1.26 Nc1ccnc(n1)NCCCCCO 27a_100000762737_100000757536 [0,2,0,0,0,0|2,0,0]=4 18213 B14R1.26 Nc1ccnc(n1)SCCCCCO 62a_100000746330_100000757536 [0,2,0,0,0,0|2,0,0]=4 18214 B14R1.26 Nc1ccnc(n1)SCCCCCO 62a_100000757536_100000746330 [0,2,0,0,0,0|2,0,0]=4 18215 B14R1.26 Nc1cncc(c1)COCCCCF 34a_100000085308_100000729493 [0,2,0,0,0,0|2,0,0]=4 18216 B14R1.26 Nc1cncc(c1)COCCCCO 34a_100000085308_100011216708 [0,2,0,0,0,0|1,0,0]=3 18217 B14R1.26 Nc1cncc(c1)OCCCCCF 34a_100011997051_100000729378 [0,2,0,0,0,0|2,0,0]=4 18218 B14R1.26 Nc1cncc(c1)OCCCCCO 34a_100011997051_100000746330 [0,2,0,0,0,0|1,0,0]=3 18219 B14R1.26 Nc1cncc(c1)OCCOCCO 34a_100011997051_100000692535 [0,2,0,0,0,0|2,0,0]=4 18220 B14R1.26 Nc1cncc(c1)SCCCCCF 62a_100000687067_100000729378 [0,2,0,0,0,0|2,0,0]=4 18221 B14R1.26 Nc1cncc(c1)SCCCCCF 62a_100000729378_100000687067 [0,2,0,0,0,0|2,0,0]=4 18222 B14R1.26 Nc1cncc(c1)SCCCCCO 62a_100000687067_100000746330 [0,2,0,0,0,0|1,0,0]=3 18223 B14R1.26 Nc1cncc(c1)SCCCCCO 62a_100000746330_100000687067 [0,2,0,0,0,0|1,0,0]=3 18224 B14R1.26 Nc1cncc(c1)SCCOCCO 62a_100000687067_100011215305 [0,2,0,0,0,0|2,0,0]=4 18225 B14R1.26 Nc1cncc(c1)SCCOCCO 62a_100011215305_100000687067 [0,2,0,0,0,0|2,0,0]=4 18226 B14R1.26 Nc1cncc(n1)SCCCCCO 62a_100000746330_100000747728 [0,2,0,0,0,0|2,0,0]=4 18227 B14R1.26 Nc1cncc(n1)SCCCCCO 62a_100000747728_100000746330 [0,2,0,0,0,0|2,0,0]=4 18228 B14R1.26 Nc1cnnc(c1)SCCCCCO 62a_100000746330_100011996757 [0,2,0,0,0,0|2,0,0]=4 18229 B14R1.26 Nc1cnnc(c1)SCCCCCO 62a_100011996757_100000746330 [0,2,0,0,0,0|2,0,0]=4 18230 B14R1.26 Nc1nccc(n1)NCCCCCO 27a_100000762737_100000055538 [0,2,0,0,0,0|2,0,0]=4 18231 B14R1.26 Nc1nccc(n1)SCCCCCO 62a_100000055538_100000746330 [0,2,0,0,0,0|2,0,0]=4 18232 B14R1.26 Nc1nccc(n1)SCCCCCO 62a_100000746330_100000055538 [0,2,0,0,0,0|2,0,0]=4 18233 B14R1.26 O=CCCCCOc1cccc(c1)Br 7a_100000210342_100000139335 [0,2,0,0,0,0|0,0,2]=4 18234 B14R1.26 O=CCCCCOc1cccc(c1)Cl 7a_100000210295_100000139335 [0,2,0,0,0,0|0,0,2]=4 18235 B14R1.26 O=CCCCCOc1cccc(c1)F 7a_100000210426_100000139335 [0,2,0,0,0,0|0,0,2]=4 18236 B14R1.26 O=CCCCCOc1cccc(c1)I 7a_100000211634_100000139335 [0,2,0,0,0,0|0,0,2]=4 18237 B14R1.26 O=CCCCCSc1cccc(c1)Br 62a_100000139335_100000691529 [0,2,0,0,0,0|0,0,2]=4 18238 B14R1.26 O=CCCCCSc1cccc(c1)Br 62a_100000691529_100000139335 [0,2,0,0,0,0|0,0,2]=4 18239 B14R1.26 O=CCCCCSc1cccc(c1)Cl 62a_100000139335_100000699651 [0,2,0,0,0,0|0,0,2]=4 18240 B14R1.26 O=CCCCCSc1cccc(c1)Cl 62a_100000699651_100000139335 [0,2,0,0,0,0|0,0,2]=4 18241 B14R1.26 O=CCCCCSc1cccc(c1)F 62a_100000139335_100000685547 [0,2,0,0,0,0|0,0,2]=4 18242 B14R1.26 O=CCCCCSc1cccc(c1)F 62a_100000685547_100000139335 [0,2,0,0,0,0|0,0,2]=4 18243 B14R1.26 O=CCCCCSc1cccc(c1)O 62a_100000139335_100000211634 [0,2,0,0,0,0|0,0,2]=4 18244 B14R1.26 O=CCCCCSc1cccc(c1)[S] 62a_100000139335_114929384022 [0,2,0,0,0,0|0,0,2]=4 18245 B14R1.26 O=CCCCCSc1cccc(c1)[S] 62a_114929384022_100000139335 [0,2,0,0,0,0|0,0,2]=4 18246 B14R1.26 O=CCCCNCc1cccc(c1)Br 2230a_100000174977_200011292268 [0,2,0,0,0,0|0,0,2]=4 18247 B14R1.26 O=CCCCNCc1cccc(c1)Cl 2230a_100000174878_200011292268 [0,2,0,0,0,0|0,0,2]=4 18248 B14R1.26 O=CCCCNCc1cccc(c1)F 2230a_100000174948_200011292268 [0,2,0,0,0,0|0,0,2]=4 18249 B14R1.26 O=CCCCNCc1cccc(c1)I 2230a_100000106179_200011292268 [0,2,0,0,0,0|0,0,2]=4 18250 B14R1.26 O=CCCCNCc1cccc(c1)O 2230a_100000743036_200011292268 [0,2,0,0,0,0|0,0,2]=4 18251 B14R1.26 O=CCCCOCc1cccc(c1)Br 7a_100000687537_200011292268 [0,2,0,0,0,0|0,0,2]=4 18252 B14R1.26 O=CCCCOCc1cccc(c1)Cl 7a_100000241301_200011292268 [0,2,0,0,0,0|0,0,2]=4 18253 B14R1.26 O=CCCCOCc1cccc(c1)F 7a_100000210976_200011292268 [0,2,0,0,0,0|0,0,2]=4 18254 B14R1.26 O=CCCCOCc1cccc(c1)I 7a_100011215336_200011292268 [0,2,0,0,0,0|0,0,2]=4 18255 B14R1.26 O=CCCCSCc1cccc(c1)Br 62a_100000211773_200011292268 [0,2,0,0,0,0|0,0,2]=4 18256 B14R1.26 O=CCCCSCc1cccc(c1)Br 62a_200011292268_100000211773 [0,2,0,0,0,0|0,0,2]=4 18257 B14R1.26 O=CCCCSCc1cccc(c1)Cl 62a_100000187163_200011292268 [0,2,0,0,0,0|0,0,2]=4 18258 B14R1.26 O=CCCCSCc1cccc(c1)Cl 62a_200011292268_100000187163 [0,2,0,0,0,0|0,0,2]=4 18259 B14R1.26 O=CCCCSCc1cccc(c1)F 62a_100000230114_200011292268 [0,2,0,0,0,0|0,0,2]=4 18260 B14R1.26 O=CCCCSCc1cccc(c1)F 62a_200011292268_100000230114 [0,2,0,0,0,0|0,0,2]=4 18261 B14R1.26 O=CCCCSCc1cccc(c1)I 62a_100011218688_200011292268 [0,2,0,0,0,0|0,0,2]=4 18262 B14R1.26 O=CCCCSCc1cccc(c1)I 62a_200011292268_100011218688 [0,2,0,0,0,0|0,0,2]=4 18263 B14R1.26 O=CCCCSCc1cccc(c1)O 62a_100011660834_200011292268 [0,2,0,0,0,0|0,0,2]=4 18264 B14R1.26 O=CCCCSCc1cccc(c1)O 62a_200011292268_100011660834 [0,2,0,0,0,0|0,0,2]=4 18265 B14R1.26 O=CCNCCCc1cccc(c1)Br 2230a_100000753791_200015260668 [0,2,0,0,0,0|0,0,2]=4 18266 B14R1.26 O=CCNCCCc1cccc(c1)Br 34a_100000753791_200009817547 [0,2,0,0,0,0|0,0,2]=4 18267 B14R1.26 O=CCNCCCc1cccc(c1)Cl 2230a_100000704586_200015260668 [0,2,0,0,0,0|0,0,2]=4 18268 B14R1.26 O=CCNCCCc1cccc(c1)Cl 34a_100000704586_200009817547 [0,2,0,0,0,0|0,0,2]=4 18269 B14R1.26 O=CCNCCCc1cccc(c1)F 2230a_100000754185_200015260668 [0,2,0,0,0,0|0,0,2]=4 18270 B14R1.26 O=CCNCCCc1cccc(c1)F 34a_100000754185_200009817547 [0,2,0,0,0,0|0,0,2]=4 18271 B14R1.26 O=CCOCCCc1cccc(c1)Br 34a_100011709248_200009817547 [0,2,0,0,0,0|0,0,2]=4 18272 B14R1.26 O=CCOCCCc1cccc(c1)Br 7a_100011709248_200015260668 [0,2,0,0,0,0|0,0,2]=4 18273 B14R1.26 O=CCOCCCc1cccc(c1)Cl 34a_100011709246_200009817547 [0,2,0,0,0,0|0,0,2]=4 18274 B14R1.26 O=CCOCCCc1cccc(c1)Cl 7a_100011709246_200015260668 [0,2,0,0,0,0|0,0,2]=4 18275 B14R1.26 O=CCSCCCc1cccc(c1)Br 62a_100011713683_200015260668 [0,2,0,0,0,0|0,0,2]=4 18276 B14R1.26 O=CCSCCCc1cccc(c1)Br 62a_200015260668_100011713683 [0,2,0,0,0,0|0,0,2]=4 18277 B14R1.26 O=CCSCCCc1cccc(c1)F 62a_200000698031_200015260668 [0,2,0,0,0,0|0,0,2]=4 18278 B14R1.26 O=CCSCCCc1cccc(c1)F 62a_200015260668_200000698031 [0,2,0,0,0,0|0,0,2]=4 18279 B14R1.26 O=c1cc(cc[nH]1)NCCCCCO 27a_100000762737_100000061649 [0,2,0,0,0,0|1,0,0]=3 18280 B14R1.26 O=c1cc(cc[nH]1)NCCOCCO 27a_100000211614_100000061649 [0,2,0,0,0,0|2,0,0]=4 18281 B14R1.26 O=c1cc(cc[nH]1)NCCSCCO 27a_100011219999_100000061649 [0,2,0,0,0,0|2,0,0]=4 18282 B14R1.26 O=c1cc(cc[nH]1)OCCCCCF 34a_100000032262_100000729378 [0,2,0,0,0,0|2,0,0]=4 18283 B14R1.26 O=c1cc(cc[nH]1)OCCCCCO 34a_100000032262_100000746330 [0,2,0,0,0,0|1,0,0]=3 18284 B14R1.26 O=c1cc(cc[nH]1)OCCOCCO 34a_100000032262_100000692535 [0,2,0,0,0,0|2,0,0]=4 18285 B14R1.26 O=c1cc(cc[nH]1)SCCCCCF 62a_100000729378_100009816521 [0,2,0,0,0,0|2,0,0]=4 18286 B14R1.26 O=c1cc(cc[nH]1)SCCCCCF 62a_100009816521_100000729378 [0,2,0,0,0,0|2,0,0]=4 18287 B14R1.26 O=c1cc(cc[nH]1)SCCCCCO 62a_100000746330_100009816521 [0,2,0,0,0,0|1,0,0]=3 18288 B14R1.26 O=c1cc(cc[nH]1)SCCCCCO 62a_100009816521_100000746330 [0,2,0,0,0,0|1,0,0]=3 18289 B14R1.26 O=c1cc(cc[nH]1)SCCOCCO 62a_100009816521_100011215305 [0,2,0,0,0,0|2,0,0]=4 18290 B14R1.26 O=c1cc(cc[nH]1)SCCOCCO 62a_100011215305_100009816521 [0,2,0,0,0,0|2,0,0]=4 18291 B14R1.26 O=c1cc(cn[nH]1)SCCCCCO 62a_100000746330_100010197405 [0,2,0,0,0,0|2,0,0]=4 18292 B14R1.26 O=c1cc(nc[nH]1)SCCCCCO 62a_100012002517_100000746330 [0,2,0,0,0,0|2,0,0]=4 18293 B14R1.26 O=c1cc[nH]c(c1)SCCCCCF 62a_100009817434_100000729378 [0,2,0,0,0,0|2,0,0]=4 18294 B14R1.26 O=c1cc[nH]c(c1)SCCCCCO 62a_100009817434_100000746330 [0,2,0,0,0,0|1,0,0]=3 18295 B14R1.26 O=c1cc[nH]c(c1)SCCOCCO 62a_100009817434_100011215305 [0,2,0,0,0,0|2,0,0]=4 18296 B14R1.26 O=c1cccc([nH]1)CNCCCCF 2230a_100000696482_100000729493 [0,2,0,0,0,0|2,0,0]=4 18297 B14R1.26 O=c1cccc([nH]1)CNCCCCO 207a_100000750430_100011935257 [0,2,0,0,0,0|1,0,0]=3 18298 B14R1.26 O=c1cccc([nH]1)CNCCCCO 2230a_100000696482_100000210776 [0,2,0,0,0,0|1,0,0]=3 18299 B14R1.26 O=c1cccc([nH]1)OCCCCCF 34a_100000033347_100000729378 [0,2,0,0,0,0|2,0,0]=4 18300 B14R1.26 O=c1cccc([nH]1)OCCCCCO 34a_100000033347_100000746330 [0,2,0,0,0,0|1,0,0]=3 18301 B14R1.26 O=c1cccc([nH]1)OCCOCCO 34a_100000033347_100000692535 [0,2,0,0,0,0|2,0,0]=4 18302 B14R1.26 O=c1cccc([nH]1)SCCCCCF 62a_100000729378_100000752884 [0,2,0,0,0,0|2,0,0]=4 18303 B14R1.26 O=c1cccc([nH]1)SCCCCCO 62a_100000746330_100000752884 [0,2,0,0,0,0|1,0,0]=3 18304 B14R1.26 O=c1cccc([nH]1)SCCOCCO 62a_100011215305_100000752884 [0,2,0,0,0,0|2,0,0]=4 18305 B14R1.26 O=c1nc(cc[nH]1)NCCCCCO 27a_100000762737_200000134032 [0,2,0,0,0,0|2,0,0]=4 18306 B14R1.26 O=c1nc(cc[nH]1)SCCCCCO 62a_100000746330_200000134032 [0,2,0,0,0,0|2,0,0]=4 18307 B14R1.26 OCC#CCNCc1cccc(c1)Br 2230a_100000174977_200000047223 [0,2,0,0,0,0|0,0,2]=4 18308 B14R1.26 OCC#CCNCc1cccc(c1)Br 34a_100000174977_200000047223 [0,2,0,0,0,0|0,0,2]=4 18309 B14R1.26 OCC#CCNCc1cccc(c1)Cl 2230a_100000174878_200000047223 [0,2,0,0,0,0|0,0,2]=4 18310 B14R1.26 OCC#CCNCc1cccc(c1)Cl 34a_100000174878_200000047223 [0,2,0,0,0,0|0,0,2]=4 18311 B14R1.26 OCC#CCNCc1cccc(c1)F 2230a_100000174948_200000047223 [0,2,0,0,0,0|0,0,2]=4 18312 B14R1.26 OCC#CCNCc1cccc(c1)F 34a_100000174948_200000047223 [0,2,0,0,0,0|0,0,2]=4 18313 B14R1.26 OCC#CCNCc1cccc(c1)I 2230a_100000106179_200000047223 [0,2,0,0,0,0|0,0,2]=4 18314 B14R1.26 OCC#CCNCc1cccc(c1)I 34a_100000106179_200000047223 [0,2,0,0,0,0|0,0,2]=4 18315 B14R1.26 OCC#CCNCc1cccc(c1)O 2230a_100000743036_200000047223 [0,2,0,0,0,0|0,0,2]=4 18316 B14R1.26 OCC#CCNCc1cccc(c1)O 34a_100000743036_200000047223 [0,2,0,0,0,0|0,0,2]=4 18317 B14R1.26 OCC#CCOCc1cccc(c1)Br 34a_100000687537_200000047223 [0,2,0,0,0,0|0,0,2]=4 18318 B14R1.26 OCC#CCOCc1cccc(c1)Br 7a_100000687537_200000047223 [0,2,0,0,0,0|0,0,2]=4 18319 B14R1.26 OCC#CCOCc1cccc(c1)Cl 34a_100000241301_200000047223 [0,2,0,0,0,0|0,0,2]=4 18320 B14R1.26 OCC#CCOCc1cccc(c1)Cl 7a_100000241301_200000047223 [0,2,0,0,0,0|0,0,2]=4 18321 B14R1.26 OCC#CCOCc1cccc(c1)F 34a_100000210976_200000047223 [0,2,0,0,0,0|0,0,2]=4 18322 B14R1.26 OCC#CCOCc1cccc(c1)F 7a_100000210976_200000047223 [0,2,0,0,0,0|0,0,2]=4 18323 B14R1.26 OCC#CCOCc1cccc(c1)I 34a_100011215336_200000047223 [0,2,0,0,0,0|0,0,2]=4 18324 B14R1.26 OCC#CCOCc1cccc(c1)I 7a_100011215336_200000047223 [0,2,0,0,0,0|0,0,2]=4 18325 B14R1.26 OCC#CCSCc1cccc(c1)Br 62a_100000211773_200000047223 [0,2,0,0,0,0|0,0,2]=4 18326 B14R1.26 OCC#CCSCc1cccc(c1)Br 62a_200000047223_100000211773 [0,2,0,0,0,0|0,0,2]=4 18327 B14R1.26 OCC#CCSCc1cccc(c1)Cl 62a_100000187163_200000047223 [0,2,0,0,0,0|0,0,2]=4 18328 B14R1.26 OCC#CCSCc1cccc(c1)Cl 62a_200000047223_100000187163 [0,2,0,0,0,0|0,0,2]=4 18329 B14R1.26 OCC#CCSCc1cccc(c1)F 62a_100000230114_200000047223 [0,2,0,0,0,0|0,0,2]=4 18330 B14R1.26 OCC#CCSCc1cccc(c1)F 62a_200000047223_100000230114 [0,2,0,0,0,0|0,0,2]=4 18331 B14R1.26 OCC#CCSCc1cccc(c1)I 62a_100011218688_200000047223 [0,2,0,0,0,0|0,0,2]=4 18332 B14R1.26 OCC#CCSCc1cccc(c1)I 62a_200000047223_100011218688 [0,2,0,0,0,0|0,0,2]=4 18333 B14R1.26 OCC#CCSCc1cccc(c1)O 62a_100011660834_200000047223 [0,2,0,0,0,0|0,0,2]=4 18334 B14R1.26 OCC#CCSCc1cccc(c1)O 62a_200000047223_100011660834 [0,2,0,0,0,0|0,0,2]=4 18335 B14R1.26 OCCCCCNc1cc(ccn1)F 27a_100000762737_100000764206 [0,2,0,0,0,0|1,0,0]=3 18336 B14R1.26 OCCCCCNc1cc(ncn1)F 27a_100000762737_200009880791 [0,2,0,0,0,0|2,0,0]=4 18337 B14R1.26 OCCCCCNc1cc(ncn1)O 27a_100000762737_100000765262 [0,2,0,0,0,0|2,0,0]=4 18338 B14R1.26 OCCCCCNc1cccc(c1)Br 34a_100000210019_100000746330 [0,2,0,0,0,0|0,0,0]=2 18339 B14R1.26 OCCCCCNc1cccc(c1)Cl 34a_100000185859_100000746330 [0,2,0,0,0,0|0,0,0]=2 18340 B14R1.26 OCCCCCNc1cccc(c1)F 34a_100000210047_100000746330 [0,2,0,0,0,0|0,0,0]=2 18341 B14R1.26 OCCCCCNc1cccc(c1)I 34a_100000211102_100000746330 [0,2,0,0,0,0|0,0,0]=2 18342 B14R1.26 OCCCCCNc1cccc(c1)O 34a_100000210217_100000746330 [0,2,0,0,0,0|0,0,0]=2 18343 B14R1.26 OCCCCCNc1cccc(n1)F 27a_100000762737_100009815982 [0,2,0,0,0,0|1,0,0]=3 18344 B14R1.26 OCCCCCNc1ccnc(c1)F 27a_100000762737_100009816116 [0,2,0,0,0,0|1,0,0]=3 18345 B14R1.26 OCCCCCNc1cncc(n1)Cl 27a_100000762737_100010892449 [0,2,0,0,0,0|2,0,0]=4 18346 B14R1.26 OCCCCCNc1cncc(n1)F 27a_100000762737_200009863489 [0,2,0,0,0,0|2,0,0]=4 18347 B14R1.26 OCCCCCNc1nccc(n1)O 27a_100000762737_100011649813 [0,2,0,0,0,0|2,0,0]=4 18348 B14R1.26 OCCCCCOc1cccc(c1)Br 34a_100000210342_100000746330 [0,2,0,0,0,0|0,0,0]=2 18349 B14R1.26 OCCCCCOc1cccc(c1)Br 7a_100000210342_100000746330 [0,2,0,0,0,0|0,0,0]=2 18350 B14R1.26 OCCCCCOc1cccc(c1)Cl 34a_100000210295_100000746330 [0,2,0,0,0,0|0,0,0]=2 18351 B14R1.26 OCCCCCOc1cccc(c1)Cl 7a_100000210295_100000746330 [0,2,0,0,0,0|0,0,0]=2 18352 B14R1.26 OCCCCCOc1cccc(c1)F 34a_100000210426_100000746330 [0,2,0,0,0,0|0,0,0]=2 18353 B14R1.26 OCCCCCOc1cccc(c1)F 7a_100000210426_100000746330 [0,2,0,0,0,0|0,0,0]=2 18354 B14R1.26 OCCCCCOc1cccc(c1)I 34a_100000211634_100000746330 [0,2,0,0,0,0|0,0,0]=2 18355 B14R1.26 OCCCCCOc1cccc(c1)I 7a_100000211634_100000746330 [0,2,0,0,0,0|0,0,0]=2 18356 B14R1.26 OCCCCCOc1cccc(n1)F 34a_100011432558_100000746330 [0,2,0,0,0,0|1,0,0]=3 18357 B14R1.26 OCCCCCOc1ccnc(c1)Cl 34a_100000762945_100000746330 [0,2,0,0,0,0|1,0,0]=3 18358 B14R1.26 OCCCCCOc1ccnc(c1)F 34a_100000732698_100000746330 [0,2,0,0,0,0|1,0,0]=3 18359 B14R1.26 OCCCCCOc1cncc(c1)Br 34a_100000754920_100000746330 [0,2,0,0,0,0|1,0,0]=3 18360 B14R1.26 OCCCCCOc1cncc(c1)Br 7a_100000754920_100000746330 [0,2,0,0,0,0|1,0,0]=3 18361 B14R1.26 OCCCCCOc1cncc(c1)Cl 7a_100000032511_100000746330 [0,2,0,0,0,0|1,0,0]=3 18362 B14R1.26 OCCCCCOc1cncc(c1)F 34a_100011830296_100000746330 [0,2,0,0,0,0|1,0,0]=3 18363 B14R1.26 OCCCCCOc1cncc(c1)F 7a_100011830296_100000746330 [0,2,0,0,0,0|1,0,0]=3 18364 B14R1.26 OCCCCCOc1cnnc(c1)Cl 34a_200010734679_100000746330 [0,2,0,0,0,0|2,0,0]=4 18365 B14R1.26 OCCCCCSc1cc(ccn1)Cl 62a_100000746330_100010167805 [0,2,0,0,0,0|1,0,0]=3 18366 B14R1.26 OCCCCCSc1cc(ccn1)Cl 62a_100010167805_100000746330 [0,2,0,0,0,0|1,0,0]=3 18367 B14R1.26 OCCCCCSc1cc(ccn1)F 62a_100000746330_100000764206 [0,2,0,0,0,0|1,0,0]=3 18368 B14R1.26 OCCCCCSc1cc(ccn1)F 62a_100000764206_100000746330 [0,2,0,0,0,0|1,0,0]=3 18369 B14R1.26 OCCCCCSc1cc(ccn1)O 62a_100000746330_100000762945 [0,2,0,0,0,0|1,0,0]=3 18370 B14R1.26 OCCCCCSc1cc(cnn1)O 62a_100000746330_200010734679 [0,2,0,0,0,0|2,0,0]=4 18371 B14R1.26 OCCCCCSc1cc(ncn1)Cl 62a_100000746330_100010161198 [0,2,0,0,0,0|2,0,0]=4 18372 B14R1.26 OCCCCCSc1cc(ncn1)Cl 62a_100010161198_100000746330 [0,2,0,0,0,0|2,0,0]=4 18373 B14R1.26 OCCCCCSc1cc(ncn1)F 62a_100000746330_200009880791 [0,2,0,0,0,0|2,0,0]=4 18374 B14R1.26 OCCCCCSc1cc(ncn1)F 62a_200009880791_100000746330 [0,2,0,0,0,0|2,0,0]=4 18375 B14R1.26 OCCCCCSc1cc(ncn1)O 62a_100000746330_100000765262 [0,2,0,0,0,0|2,0,0]=4 18376 B14R1.26 OCCCCCSc1cccc(c1)Br 62a_100000691529_100000746330 [0,2,0,0,0,0|0,0,0]=2 18377 B14R1.26 OCCCCCSc1cccc(c1)Br 62a_100000746330_100000691529 [0,2,0,0,0,0|0,0,0]=2 18378 B14R1.26 OCCCCCSc1cccc(c1)Cl 62a_100000699651_100000746330 [0,2,0,0,0,0|0,0,0]=2 18379 B14R1.26 OCCCCCSc1cccc(c1)Cl 62a_100000746330_100000699651 [0,2,0,0,0,0|0,0,0]=2 18380 B14R1.26 OCCCCCSc1cccc(c1)F 62a_100000685547_100000746330 [0,2,0,0,0,0|0,0,0]=2 18381 B14R1.26 OCCCCCSc1cccc(c1)F 62a_100000746330_100000685547 [0,2,0,0,0,0|0,0,0]=2 18382 B14R1.26 OCCCCCSc1cccc(c1)O 62a_100000746330_100000211634 [0,2,0,0,0,0|0,0,0]=2 18383 B14R1.26 OCCCCCSc1cccc(c1)[S] 62a_100000746330_114929384022 [0,2,0,0,0,0|0,0,0]=2 18384 B14R1.26 OCCCCCSc1cccc(c1)[S] 62a_114929384022_100000746330 [0,2,0,0,0,0|0,0,0]=2 18385 B14R1.26 OCCCCCSc1cccc(n1)Br 62a_100000684672_100000746330 [0,2,0,0,0,0|1,0,0]=3 18386 B14R1.26 OCCCCCSc1cccc(n1)Br 62a_100000746330_100000684672 [0,2,0,0,0,0|1,0,0]=3 18387 B14R1.26 OCCCCCSc1cccc(n1)Cl 62a_100000051397_100000746330 [0,2,0,0,0,0|1,0,0]=3 18388 B14R1.26 OCCCCCSc1cccc(n1)Cl 62a_100000746330_100000051397 [0,2,0,0,0,0|1,0,0]=3 18389 B14R1.26 OCCCCCSc1cccc(n1)F 62a_100000746330_100009815982 [0,2,0,0,0,0|1,0,0]=3 18390 B14R1.26 OCCCCCSc1cccc(n1)F 62a_100009815982_100000746330 [0,2,0,0,0,0|1,0,0]=3 18391 B14R1.26 OCCCCCSc1ccnc(c1)Br 62a_100000746330_100009814637 [0,2,0,0,0,0|1,0,0]=3 18392 B14R1.26 OCCCCCSc1ccnc(c1)Br 62a_100009814637_100000746330 [0,2,0,0,0,0|1,0,0]=3 18393 B14R1.26 OCCCCCSc1ccnc(c1)Cl 62a_100000035001_100000746330 [0,2,0,0,0,0|1,0,0]=3 18394 B14R1.26 OCCCCCSc1ccnc(c1)Cl 62a_100000746330_100000035001 [0,2,0,0,0,0|1,0,0]=3 18395 B14R1.26 OCCCCCSc1ccnc(c1)F 62a_100000746330_100009816116 [0,2,0,0,0,0|1,0,0]=3 18396 B14R1.26 OCCCCCSc1ccnc(c1)F 62a_100009816116_100000746330 [0,2,0,0,0,0|1,0,0]=3 18397 B14R1.26 OCCCCCSc1ccnc(n1)Cl 62a_100000746330_100010154678 [0,2,0,0,0,0|2,0,0]=4 18398 B14R1.26 OCCCCCSc1ccnc(n1)Cl 62a_100010154678_100000746330 [0,2,0,0,0,0|2,0,0]=4 18399 B14R1.26 OCCCCCSc1cncc(c1)Br 62a_100000728054_100000746330 [0,2,0,0,0,0|1,0,0]=3 18400 B14R1.26 OCCCCCSc1cncc(c1)Br 62a_100000746330_100000728054 [0,2,0,0,0,0|1,0,0]=3 18401 B14R1.26 OCCCCCSc1cncc(c1)Cl 62a_100000049639_100000746330 [0,2,0,0,0,0|1,0,0]=3 18402 B14R1.26 OCCCCCSc1cncc(c1)Cl 62a_100000746330_100000049639 [0,2,0,0,0,0|1,0,0]=3 18403 B14R1.26 OCCCCCSc1cncc(c1)F 62a_100000744099_100000746330 [0,2,0,0,0,0|1,0,0]=3 18404 B14R1.26 OCCCCCSc1cncc(c1)F 62a_100000746330_100000744099 [0,2,0,0,0,0|1,0,0]=3 18405 B14R1.26 OCCCCCSc1cncc(c1)O 62a_100000746330_100000754920 [0,2,0,0,0,0|1,0,0]=3 18406 B14R1.26 OCCCCCSc1cncc(c1)O 62a_100000754920_100000746330 [0,2,0,0,0,0|1,0,0]=3 18407 B14R1.26 OCCCCCSc1cncc(n1)Cl 62a_100000746330_100010892449 [0,2,0,0,0,0|2,0,0]=4 18408 B14R1.26 OCCCCCSc1cncc(n1)Cl 62a_100010892449_100000746330 [0,2,0,0,0,0|2,0,0]=4 18409 B14R1.26 OCCCCCSc1cncc(n1)F 62a_100000746330_200009863489 [0,2,0,0,0,0|2,0,0]=4 18410 B14R1.26 OCCCCCSc1cncc(n1)F 62a_200009863489_100000746330 [0,2,0,0,0,0|2,0,0]=4 18411 B14R1.26 OCCCCCSc1cncc(n1)O 62a_100000746330_100011269956 [0,2,0,0,0,0|2,0,0]=4 18412 B14R1.26 OCCCCCSc1nccc(n1)O 62a_100000746330_100011649813 [0,2,0,0,0,0|2,0,0]=4 18413 B14R1.26 OCCCCNCc1cc(ccn1)Br 2230a_100000750430_100010173614 [0,2,0,0,0,0|1,0,0]=3 18414 B14R1.26 OCCCCNCc1cc(ccn1)Br 270004a_100000750430_100009818557 [0,2,0,0,0,0|1,0,0]=3 18415 B14R1.26 OCCCCNCc1cc(ccn1)Br 34a_100000750430_100010173614 [0,2,0,0,0,0|1,0,0]=3 18416 B14R1.26 OCCCCNCc1cc(ccn1)Cl 2230a_100000750430_100016988179 [0,2,0,0,0,0|1,0,0]=3 18417 B14R1.26 OCCCCNCc1cc(ccn1)Cl 270004a_100000750430_100011998288 [0,2,0,0,0,0|1,0,0]=3 18418 B14R1.26 OCCCCNCc1cc(ccn1)Cl 34a_100000750430_100016988179 [0,2,0,0,0,0|1,0,0]=3 18419 B14R1.26 OCCCCNCc1cccc(c1)Br 207a_100000750430_100000210085 [0,2,0,0,0,0|0,0,0]=2 18420 B14R1.26 OCCCCNCc1cccc(c1)Br 2230a_100000174977_100000210776 [0,2,0,0,0,0|0,0,0]=2 18421 B14R1.26 OCCCCNCc1cccc(c1)Br 2230a_100000750430_100000698116 [0,2,0,0,0,0|0,0,0]=2 18422 B14R1.26 OCCCCNCc1cccc(c1)Br 270004a_100000750430_100000210085 [0,2,0,0,0,0|0,0,0]=2 18423 B14R1.26 OCCCCNCc1cccc(c1)Br 34a_100000174977_100011216708 [0,2,0,0,0,0|0,0,0]=2 18424 B14R1.26 OCCCCNCc1cccc(c1)Br 34a_100000750430_100000698116 [0,2,0,0,0,0|0,0,0]=2 18425 B14R1.26 OCCCCNCc1cccc(c1)Cl 207a_100000750430_100000210801 [0,2,0,0,0,0|0,0,0]=2 18426 B14R1.26 OCCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210776 [0,2,0,0,0,0|0,0,0]=2 18427 B14R1.26 OCCCCNCc1cccc(c1)Cl 2230a_100000750430_100000181238 [0,2,0,0,0,0|0,0,0]=2 18428 B14R1.26 OCCCCNCc1cccc(c1)Cl 270004a_100000750430_100000210801 [0,2,0,0,0,0|0,0,0]=2 18429 B14R1.26 OCCCCNCc1cccc(c1)Cl 34a_100000174878_100011216708 [0,2,0,0,0,0|0,0,0]=2 18430 B14R1.26 OCCCCNCc1cccc(c1)Cl 34a_100000750430_100000187163 [0,2,0,0,0,0|0,0,0]=2 18431 B14R1.26 OCCCCNCc1cccc(c1)F 207a_100000750430_100000210812 [0,2,0,0,0,0|0,0,0]=2 18432 B14R1.26 OCCCCNCc1cccc(c1)F 2230a_100000174948_100000210776 [0,2,0,0,0,0|0,0,0]=2 18433 B14R1.26 OCCCCNCc1cccc(c1)F 2230a_100000750430_100000230114 [0,2,0,0,0,0|0,0,0]=2 18434 B14R1.26 OCCCCNCc1cccc(c1)F 270004a_100000750430_100000210812 [0,2,0,0,0,0|0,0,0]=2 18435 B14R1.26 OCCCCNCc1cccc(c1)F 34a_100000174948_100011216708 [0,2,0,0,0,0|0,0,0]=2 18436 B14R1.26 OCCCCNCc1cccc(c1)F 34a_100000750430_100000187166 [0,2,0,0,0,0|0,0,0]=2 18437 B14R1.26 OCCCCNCc1cccc(c1)I 207a_100000750430_100000014684 [0,2,0,0,0,0|0,0,0]=2 18438 B14R1.26 OCCCCNCc1cccc(c1)I 2230a_100000106179_100000210776 [0,2,0,0,0,0|0,0,0]=2 18439 B14R1.26 OCCCCNCc1cccc(c1)I 2230a_100000750430_100011218688 [0,2,0,0,0,0|0,0,0]=2 18440 B14R1.26 OCCCCNCc1cccc(c1)I 270004a_100000750430_100000014684 [0,2,0,0,0,0|0,0,0]=2 18441 B14R1.26 OCCCCNCc1cccc(c1)I 34a_100000106179_100011216708 [0,2,0,0,0,0|0,0,0]=2 18442 B14R1.26 OCCCCNCc1cccc(c1)I 34a_100000750430_100011218688 [0,2,0,0,0,0|0,0,0]=2 18443 B14R1.26 OCCCCNCc1cccc(c1)O 207a_100000750430_100000188321 [0,2,0,0,0,0|0,0,0]=2 18444 B14R1.26 OCCCCNCc1cccc(c1)O 2230a_100000743036_100000210776 [0,2,0,0,0,0|0,0,0]=2 18445 B14R1.26 OCCCCNCc1cccc(c1)O 2230a_100000750430_100011660834 [0,2,0,0,0,0|0,0,0]=2 18446 B14R1.26 OCCCCNCc1cccc(c1)O 270004a_100000750430_100000188321 [0,2,0,0,0,0|0,0,0]=2 18447 B14R1.26 OCCCCNCc1cccc(c1)O 34a_100000743036_100011216708 [0,2,0,0,0,0|0,0,0]=2 18448 B14R1.26 OCCCCNCc1cccc(c1)O 34a_100000750430_100011660834 [0,2,0,0,0,0|0,0,0]=2 18449 B14R1.26 OCCCCNCc1cccc(n1)Br 2230a_100000750430_100009889011 [0,2,0,0,0,0|1,0,0]=3 18450 B14R1.26 OCCCCNCc1cccc(n1)Br 2230a_100016987751_100000210776 [0,2,0,0,0,0|1,0,0]=3 18451 B14R1.26 OCCCCNCc1cccc(n1)Br 270004a_100000750430_100000688028 [0,2,0,0,0,0|1,0,0]=3 18452 B14R1.26 OCCCCNCc1cccc(n1)Br 34a_100000750430_100009889011 [0,2,0,0,0,0|1,0,0]=3 18453 B14R1.26 OCCCCNCc1cccc(n1)Cl 2230a_100000750430_100000086093 [0,2,0,0,0,0|1,0,0]=3 18454 B14R1.26 OCCCCNCc1cccc(n1)Cl 2230a_100016990191_100000210776 [0,2,0,0,0,0|1,0,0]=3 18455 B14R1.26 OCCCCNCc1cccc(n1)Cl 270004a_100000750430_100011361687 [0,2,0,0,0,0|1,0,0]=3 18456 B14R1.26 OCCCCNCc1cccc(n1)Cl 34a_100000750430_100000086093 [0,2,0,0,0,0|1,0,0]=3 18457 B14R1.26 OCCCCNCc1cccc(n1)F 2230a_100000750430_100009819644 [0,2,0,0,0,0|1,0,0]=3 18458 B14R1.26 OCCCCNCc1cccc(n1)F 2230a_100015188798_100000210776 [0,2,0,0,0,0|1,0,0]=3 18459 B14R1.26 OCCCCNCc1cccc(n1)F 270004a_100000750430_100000050434 [0,2,0,0,0,0|1,0,0]=3 18460 B14R1.26 OCCCCNCc1cccc(n1)F 34a_100000750430_100009819644 [0,2,0,0,0,0|1,0,0]=3 18461 B14R1.26 OCCCCNCc1cccc(n1)F 34a_100015188798_100011216708 [0,2,0,0,0,0|1,0,0]=3 18462 B14R1.26 OCCCCNCc1ccnc(c1)Br 2230a_100000750430_100010243470 [0,2,0,0,0,0|1,0,0]=3 18463 B14R1.26 OCCCCNCc1ccnc(c1)Br 2230a_100025757509_100000210776 [0,2,0,0,0,0|1,0,0]=3 18464 B14R1.26 OCCCCNCc1ccnc(c1)Br 270004a_100000750430_100009814634 [0,2,0,0,0,0|1,0,0]=3 18465 B14R1.26 OCCCCNCc1ccnc(c1)Br 34a_100000750430_100010243470 [0,2,0,0,0,0|1,0,0]=3 18466 B14R1.26 OCCCCNCc1ccnc(c1)Br 34a_100025757509_100011216708 [0,2,0,0,0,0|1,0,0]=3 18467 B14R1.26 OCCCCNCc1ccnc(c1)Cl 2230a_100000750430_100000764220 [0,2,0,0,0,0|1,0,0]=3 18468 B14R1.26 OCCCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210776 [0,2,0,0,0,0|1,0,0]=3 18469 B14R1.26 OCCCCNCc1ccnc(c1)Cl 270004a_100000750430_100011290808 [0,2,0,0,0,0|1,0,0]=3 18470 B14R1.26 OCCCCNCc1ccnc(c1)Cl 34a_100000750430_100000764220 [0,2,0,0,0,0|1,0,0]=3 18471 B14R1.26 OCCCCNCc1ccnc(c1)Cl 34a_100015205668_100011216708 [0,2,0,0,0,0|1,0,0]=3 18472 B14R1.26 OCCCCNCc1ccnc(c1)F 2230a_100015188774_100000210776 [0,2,0,0,0,0|1,0,0]=3 18473 B14R1.26 OCCCCNCc1ccnc(c1)F 270004a_100000750430_100000068331 [0,2,0,0,0,0|1,0,0]=3 18474 B14R1.26 OCCCCNCc1ccnc(c1)F 34a_100015188774_100011216708 [0,2,0,0,0,0|1,0,0]=3 18475 B14R1.26 OCCCCNCc1ccnc(c1)O 207a_100000750430_100000688113 [0,2,0,0,0,0|1,0,0]=3 18476 B14R1.26 OCCCCNCc1ccnc(n1)Cl 2230a_100000750430_100000099655 [0,2,0,0,0,0|2,0,0]=4 18477 B14R1.26 OCCCCNCc1ccnc(n1)Cl 34a_100000750430_100000099655 [0,2,0,0,0,0|2,0,0]=4 18478 B14R1.26 OCCCCNCc1cncc(c1)Br 207a_100000750430_100000687066 [0,2,0,0,0,0|1,0,0]=3 18479 B14R1.26 OCCCCNCc1cncc(c1)Br 2230a_100000750430_100000738771 [0,2,0,0,0,0|1,0,0]=3 18480 B14R1.26 OCCCCNCc1cncc(c1)Br 270004a_100000750430_100000687066 [0,2,0,0,0,0|1,0,0]=3 18481 B14R1.26 OCCCCNCc1cncc(c1)Br 34a_100000750430_100000738771 [0,2,0,0,0,0|1,0,0]=3 18482 B14R1.26 OCCCCNCc1cncc(c1)Cl 207a_100000750430_100000088910 [0,2,0,0,0,0|1,0,0]=3 18483 B14R1.26 OCCCCNCc1cncc(c1)Cl 2230a_100000750430_100016992070 [0,2,0,0,0,0|1,0,0]=3 18484 B14R1.26 OCCCCNCc1cncc(c1)Cl 2230a_200020614424_100000210776 [0,2,0,0,0,0|1,0,0]=3 18485 B14R1.26 OCCCCNCc1cncc(c1)Cl 270004a_100000750430_100000088910 [0,2,0,0,0,0|1,0,0]=3 18486 B14R1.26 OCCCCNCc1cncc(c1)Cl 34a_100000750430_100016992070 [0,2,0,0,0,0|1,0,0]=3 18487 B14R1.26 OCCCCNCc1cncc(c1)F 207a_100000750430_100011361476 [0,2,0,0,0,0|1,0,0]=3 18488 B14R1.26 OCCCCNCc1cncc(c1)F 2230a_100000750430_100000725299 [0,2,0,0,0,0|1,0,0]=3 18489 B14R1.26 OCCCCNCc1cncc(c1)F 2230a_100011962886_100000210776 [0,2,0,0,0,0|1,0,0]=3 18490 B14R1.26 OCCCCNCc1cncc(c1)F 270004a_100000750430_100011361476 [0,2,0,0,0,0|1,0,0]=3 18491 B14R1.26 OCCCCNCc1cncc(c1)F 34a_100000750430_100000725299 [0,2,0,0,0,0|1,0,0]=3 18492 B14R1.26 OCCCCNCc1cncc(c1)F 34a_100011962886_100011216708 [0,2,0,0,0,0|1,0,0]=3 18493 B14R1.26 OCCCCNCc1cncc(c1)O 207a_100000750430_100012187055 [0,2,0,0,0,0|1,0,0]=3 18494 B14R1.26 OCCCCNCc1cncc(c1)O 270004a_100000750430_100012187055 [0,2,0,0,0,0|1,0,0]=3 18495 B14R1.26 OCCCCOCc1cc(ccn1)Cl 34a_100000748867_100011216708 [0,2,0,0,0,0|1,0,0]=3 18496 B14R1.26 OCCCCOCc1cccc(c1)Br 34a_100000687537_100011216708 [0,2,0,0,0,0|0,0,0]=2 18497 B14R1.26 OCCCCOCc1cccc(c1)Br 7a_100000687537_100000210776 [0,2,0,0,0,0|0,0,0]=2 18498 B14R1.26 OCCCCOCc1cccc(c1)Cl 34a_100000241301_100011216708 [0,2,0,0,0,0|0,0,0]=2 18499 B14R1.26 OCCCCOCc1cccc(c1)Cl 7a_100000241301_100000210776 [0,2,0,0,0,0|0,0,0]=2 18500 B14R1.26 OCCCCOCc1cccc(c1)F 34a_100000210976_100011216708 [0,2,0,0,0,0|0,0,0]=2 18501 B14R1.26 OCCCCOCc1cccc(c1)F 7a_100000210976_100000210776 [0,2,0,0,0,0|0,0,0]=2 18502 B14R1.26 OCCCCOCc1cccc(c1)I 34a_100011215336_100011216708 [0,2,0,0,0,0|0,0,0]=2 18503 B14R1.26 OCCCCOCc1cccc(c1)I 7a_100011215336_100000210776 [0,2,0,0,0,0|0,0,0]=2 18504 B14R1.26 OCCCCOCc1cccc(n1)Br 34a_100000694195_100011216708 [0,2,0,0,0,0|1,0,0]=3 18505 B14R1.26 OCCCCOCc1cccc(n1)Cl 34a_100011998359_100011216708 [0,2,0,0,0,0|1,0,0]=3 18506 B14R1.26 OCCCCOCc1cccc(n1)F 34a_100000086748_100011216708 [0,2,0,0,0,0|1,0,0]=3 18507 B14R1.26 OCCCCOCc1ccnc(c1)Br 34a_100009814636_100011216708 [0,2,0,0,0,0|1,0,0]=3 18508 B14R1.26 OCCCCOCc1ccnc(c1)Br 7a_100009814636_100000210776 [0,2,0,0,0,0|1,0,0]=3 18509 B14R1.26 OCCCCOCc1ccnc(c1)Cl 34a_100000748751_100011216708 [0,2,0,0,0,0|1,0,0]=3 18510 B14R1.26 OCCCCOCc1ccnc(c1)F 34a_100000082451_100011216708 [0,2,0,0,0,0|1,0,0]=3 18511 B14R1.26 OCCCCOCc1cncc(c1)Br 34a_100011259137_100011216708 [0,2,0,0,0,0|1,0,0]=3 18512 B14R1.26 OCCCCOCc1cncc(c1)Br 7a_100011259137_100000210776 [0,2,0,0,0,0|1,0,0]=3 18513 B14R1.26 OCCCCOCc1cncc(c1)Cl 34a_100000092867_100011216708 [0,2,0,0,0,0|1,0,0]=3 18514 B14R1.26 OCCCCOCc1cncc(c1)Cl 7a_100000092867_100000210776 [0,2,0,0,0,0|1,0,0]=3 18515 B14R1.26 OCCCCOCc1cncc(c1)F 34a_100011962875_100011216708 [0,2,0,0,0,0|1,0,0]=3 18516 B14R1.26 OCCCCOCc1cncc(c1)F 7a_100011962875_100000210776 [0,2,0,0,0,0|1,0,0]=3 18517 B14R1.26 OCCCCSCc1cc(ccn1)Br 62a_100000210776_100010173614 [0,2,0,0,0,0|1,0,0]=3 18518 B14R1.26 OCCCCSCc1cc(ccn1)Br 62a_100010173614_100000210776 [0,2,0,0,0,0|1,0,0]=3 18519 B14R1.26 OCCCCSCc1cc(ccn1)Cl 62a_100000210776_100016988179 [0,2,0,0,0,0|1,0,0]=3 18520 B14R1.26 OCCCCSCc1cc(ccn1)Cl 62a_100016988179_100000210776 [0,2,0,0,0,0|1,0,0]=3 18521 B14R1.26 OCCCCSCc1cccc(c1)Br 62a_100000210776_100000211773 [0,2,0,0,0,0|0,0,0]=2 18522 B14R1.26 OCCCCSCc1cccc(c1)Br 62a_100000211773_100000210776 [0,2,0,0,0,0|0,0,0]=2 18523 B14R1.26 OCCCCSCc1cccc(c1)Cl 62a_100000187163_100000210776 [0,2,0,0,0,0|0,0,0]=2 18524 B14R1.26 OCCCCSCc1cccc(c1)Cl 62a_100000210776_100000187163 [0,2,0,0,0,0|0,0,0]=2 18525 B14R1.26 OCCCCSCc1cccc(c1)F 62a_100000210776_100000230114 [0,2,0,0,0,0|0,0,0]=2 18526 B14R1.26 OCCCCSCc1cccc(c1)F 62a_100000230114_100000210776 [0,2,0,0,0,0|0,0,0]=2 18527 B14R1.26 OCCCCSCc1cccc(c1)I 62a_100000210776_100011218688 [0,2,0,0,0,0|0,0,0]=2 18528 B14R1.26 OCCCCSCc1cccc(c1)I 62a_100011218688_100000210776 [0,2,0,0,0,0|0,0,0]=2 18529 B14R1.26 OCCCCSCc1cccc(c1)O 62a_100000210776_100011660834 [0,2,0,0,0,0|0,0,0]=2 18530 B14R1.26 OCCCCSCc1cccc(c1)O 62a_100011660834_100000210776 [0,2,0,0,0,0|0,0,0]=2 18531 B14R1.26 OCCCCSCc1cccc(n1)Br 62a_100000210776_100009889011 [0,2,0,0,0,0|1,0,0]=3 18532 B14R1.26 OCCCCSCc1cccc(n1)Br 62a_100009889011_100000210776 [0,2,0,0,0,0|1,0,0]=3 18533 B14R1.26 OCCCCSCc1cccc(n1)Cl 62a_100000086093_100000210776 [0,2,0,0,0,0|1,0,0]=3 18534 B14R1.26 OCCCCSCc1cccc(n1)Cl 62a_100000210776_100000086093 [0,2,0,0,0,0|1,0,0]=3 18535 B14R1.26 OCCCCSCc1cccc(n1)F 62a_100000210776_100009819644 [0,2,0,0,0,0|1,0,0]=3 18536 B14R1.26 OCCCCSCc1cccc(n1)F 62a_100009819644_100000210776 [0,2,0,0,0,0|1,0,0]=3 18537 B14R1.26 OCCCCSCc1ccnc(c1)Br 62a_100000210776_100010243470 [0,2,0,0,0,0|1,0,0]=3 18538 B14R1.26 OCCCCSCc1ccnc(c1)Br 62a_100010254460_100000210776 [0,2,0,0,0,0|1,0,0]=3 18539 B14R1.26 OCCCCSCc1ccnc(c1)Cl 62a_100000210776_100000764220 [0,2,0,0,0,0|1,0,0]=3 18540 B14R1.26 OCCCCSCc1ccnc(c1)Cl 62a_100000764220_100000210776 [0,2,0,0,0,0|1,0,0]=3 18541 B14R1.26 OCCCCSCc1ccnc(n1)Cl 62a_100000099655_100000210776 [0,2,0,0,0,0|2,0,0]=4 18542 B14R1.26 OCCCCSCc1ccnc(n1)Cl 62a_100000210776_100000099655 [0,2,0,0,0,0|2,0,0]=4 18543 B14R1.26 OCCCCSCc1cncc(c1)Br 62a_100000210776_100000738771 [0,2,0,0,0,0|1,0,0]=3 18544 B14R1.26 OCCCCSCc1cncc(c1)Br 62a_100000738771_100000210776 [0,2,0,0,0,0|1,0,0]=3 18545 B14R1.26 OCCCCSCc1cncc(c1)Cl 62a_100000210776_100016992070 [0,2,0,0,0,0|1,0,0]=3 18546 B14R1.26 OCCCCSCc1cncc(c1)Cl 62a_100016992070_100000210776 [0,2,0,0,0,0|1,0,0]=3 18547 B14R1.26 OCCCCSCc1cncc(c1)F 62a_100000210776_100000725299 [0,2,0,0,0,0|1,0,0]=3 18548 B14R1.26 OCCCCSCc1cncc(c1)F 62a_100000725299_100000210776 [0,2,0,0,0,0|1,0,0]=3 18549 B14R1.26 OCCCNCCc1cccc(c1)Br 2230a_100011207229_100000230001 [0,2,0,0,0,0|0,0,0]=2 18550 B14R1.26 OCCCNCCc1cccc(c1)Br 34a_100011207229_100000230001 [0,2,0,0,0,0|0,0,0]=2 18551 B14R1.26 OCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000230001 [0,2,0,0,0,0|0,0,0]=2 18552 B14R1.26 OCCCNCCc1cccc(c1)Cl 34a_100000185263_100000230001 [0,2,0,0,0,0|0,0,0]=2 18553 B14R1.26 OCCCNCCc1cccc(c1)F 2230a_100000205154_100000230001 [0,2,0,0,0,0|0,0,0]=2 18554 B14R1.26 OCCCNCCc1cccc(c1)F 34a_100000205154_100000230001 [0,2,0,0,0,0|0,0,0]=2 18555 B14R1.26 OCCCNCCc1cccc(c1)O 2230a_100000747277_100000230001 [0,2,0,0,0,0|0,0,0]=2 18556 B14R1.26 OCCCNCCc1cccc(c1)O 34a_100000747277_100000230001 [0,2,0,0,0,0|0,0,0]=2 18557 B14R1.26 OCCCOCCc1cccc(c1)Br 34a_100011217444_100000230001 [0,2,0,0,0,0|0,0,0]=2 18558 B14R1.26 OCCCOCCc1cccc(c1)Br 7a_100011217444_100011215043 [0,2,0,0,0,0|0,0,0]=2 18559 B14R1.26 OCCCOCCc1cccc(c1)Cl 34a_100000754733_100000230001 [0,2,0,0,0,0|0,0,0]=2 18560 B14R1.26 OCCCOCCc1cccc(c1)Cl 7a_100000754733_100011215043 [0,2,0,0,0,0|0,0,0]=2 18561 B14R1.26 OCCCOCCc1cccc(c1)F 34a_100000763591_100000230001 [0,2,0,0,0,0|0,0,0]=2 18562 B14R1.26 OCCCOCCc1cccc(c1)F 7a_100000763591_100011215043 [0,2,0,0,0,0|0,0,0]=2 18563 B14R1.26 OCCCOCCc1cccc(n1)Br 34a_100010221043_100000230001 [0,2,0,0,0,0|1,0,0]=3 18564 B14R1.26 OCCCOCCc1cccc(n1)Br 7a_100010221043_100011215043 [0,2,0,0,0,0|1,0,0]=3 18565 B14R1.26 OCCCSCCc1cccc(c1)Br 62a_100011215043_100011740638 [0,2,0,0,0,0|0,0,0]=2 18566 B14R1.26 OCCCSCCc1cccc(c1)Br 62a_100011740638_100011215043 [0,2,0,0,0,0|0,0,0]=2 18567 B14R1.26 OCCCSCCc1cccc(c1)Cl 62a_100011215043_100011713710 [0,2,0,0,0,0|0,0,0]=2 18568 B14R1.26 OCCCSCCc1cccc(c1)Cl 62a_100011713710_100011215043 [0,2,0,0,0,0|0,0,0]=2 18569 B14R1.26 OCCCSCCc1cccc(c1)F 62a_100011215043_100011217235 [0,2,0,0,0,0|0,0,0]=2 18570 B14R1.26 OCCCSCCc1cccc(c1)F 62a_100011217235_100011215043 [0,2,0,0,0,0|0,0,0]=2 18571 B14R1.26 OCCNCC#Cc1cccc(c1)Br 2230a_100016997473_100010706776 [0,2,0,0,0,0|0,0,2]=4 18572 B14R1.26 OCCNCC#Cc1cccc(c1)Br 34a_100016990907_100010706776 [0,2,0,0,0,0|0,0,2]=4 18573 B14R1.26 OCCNCC#Cc1cccc(c1)F 2230a_100016997473_100010402994 [0,2,0,0,0,0|0,0,2]=4 18574 B14R1.26 OCCNCC#Cc1cccc(c1)F 34a_100016990907_100010402994 [0,2,0,0,0,0|0,0,2]=4 18575 B14R1.26 OCCNCC=Cc1cccc(c1)Cl 270004a_100000210304_100016268971 [0,2,0,0,0,0|0,0,2]=4 18576 B14R1.26 OCCNCCCc1cccc(c1)Br 2230a_100000753791_100000211926 [0,2,0,0,0,0|0,0,0]=2 18577 B14R1.26 OCCNCCCc1cccc(c1)Br 2230a_100016997473_100011713683 [0,2,0,0,0,0|0,0,0]=2 18578 B14R1.26 OCCNCCCc1cccc(c1)Br 34a_100000753791_100000211926 [0,2,0,0,0,0|0,0,0]=2 18579 B14R1.26 OCCNCCCc1cccc(c1)Br 34a_100016990907_100011713683 [0,2,0,0,0,0|0,0,0]=2 18580 B14R1.26 OCCNCCCc1cccc(c1)Cl 2230a_100000704586_100000211926 [0,2,0,0,0,0|0,0,0]=2 18581 B14R1.26 OCCNCCCc1cccc(c1)Cl 34a_100000704586_100000211926 [0,2,0,0,0,0|0,0,0]=2 18582 B14R1.26 OCCNCCCc1cccc(c1)F 2230a_100000754185_100000211926 [0,2,0,0,0,0|0,0,0]=2 18583 B14R1.26 OCCNCCCc1cccc(c1)F 2230a_100016997473_200000698031 [0,2,0,0,0,0|0,0,0]=2 18584 B14R1.26 OCCNCCCc1cccc(c1)F 34a_100000754185_100000211926 [0,2,0,0,0,0|0,0,0]=2 18585 B14R1.26 OCCNCCCc1cccc(c1)F 34a_100016990907_200000698031 [0,2,0,0,0,0|0,0,0]=2 18586 B14R1.26 OCCNCCOc1cccc(c1)Br 2230a_100000743521_100000211926 [0,2,0,0,0,0|1,0,0]=3 18587 B14R1.26 OCCNCCOc1cccc(c1)Br 2230a_100016997473_100000183150 [0,2,0,0,0,0|1,0,0]=3 18588 B14R1.26 OCCNCCOc1cccc(c1)Br 34a_100000743521_100000211926 [0,2,0,0,0,0|1,0,0]=3 18589 B14R1.26 OCCNCCOc1cccc(c1)Br 34a_100016990907_100000183150 [0,2,0,0,0,0|1,0,0]=3 18590 B14R1.26 OCCNCCOc1cccc(c1)Cl 2230a_100000740232_100000211926 [0,2,0,0,0,0|1,0,0]=3 18591 B14R1.26 OCCNCCOc1cccc(c1)Cl 2230a_100016997473_100000181161 [0,2,0,0,0,0|1,0,0]=3 18592 B14R1.26 OCCNCCOc1cccc(c1)Cl 34a_100000740232_100000211926 [0,2,0,0,0,0|1,0,0]=3 18593 B14R1.26 OCCNCCOc1cccc(c1)Cl 34a_100016990907_100000181161 [0,2,0,0,0,0|1,0,0]=3 18594 B14R1.26 OCCNCCOc1cccc(c1)F 2230a_100000738948_100000211926 [0,2,0,0,0,0|1,0,0]=3 18595 B14R1.26 OCCNCCOc1cccc(c1)F 2230a_100016997473_100000739188 [0,2,0,0,0,0|1,0,0]=3 18596 B14R1.26 OCCNCCOc1cccc(c1)F 34a_100000738948_100000211926 [0,2,0,0,0,0|1,0,0]=3 18597 B14R1.26 OCCNCCOc1cccc(c1)F 34a_100016990907_100000739188 [0,2,0,0,0,0|1,0,0]=3 18598 B14R1.26 OCCNN=CCc1cccc(c1)Br 4a_100000210001_200000698211 [0,2,0,0,0,0|1,0,1]=4 18599 B14R1.26 OCCNN=CCc1cccc(c1)Cl 4a_100000210001_100000765889 [0,2,0,0,0,0|1,0,1]=4 18600 B14R1.26 OCCNN=CCc1cccc(c1)F 4a_100000210001_100011713417 [0,2,0,0,0,0|1,0,1]=4 18601 B14R1.26 OCCOCC#Cc1cccc(c1)Br 34a_100009814051_100000211926 [0,2,0,0,0,0|0,0,2]=4 18602 B14R1.26 OCCOCC#Cc1cccc(c1)Br 7a_100009814051_100000211926 [0,2,0,0,0,0|0,0,2]=4 18603 B14R1.26 OCCOCC#Cc1cccc(c1)Cl 34a_100011218842_100000211926 [0,2,0,0,0,0|0,0,2]=4 18604 B14R1.26 OCCOCC#Cc1cccc(c1)Cl 7a_100011218842_100000211926 [0,2,0,0,0,0|0,0,2]=4 18605 B14R1.26 OCCOCC#Cc1cccc(c1)F 34a_100011219115_100000211926 [0,2,0,0,0,0|0,0,2]=4 18606 B14R1.26 OCCOCC#Cc1cccc(c1)F 7a_100011219115_100000211926 [0,2,0,0,0,0|0,0,2]=4 18607 B14R1.26 OCCOCCCc1cccc(c1)Br 34a_100011709248_100000211926 [0,2,0,0,0,0|0,0,0]=2 18608 B14R1.26 OCCOCCCc1cccc(c1)Br 7a_100011709248_100000211926 [0,2,0,0,0,0|0,0,0]=2 18609 B14R1.26 OCCOCCCc1cccc(c1)Cl 34a_100011709246_100000211926 [0,2,0,0,0,0|0,0,0]=2 18610 B14R1.26 OCCOCCCc1cccc(c1)Cl 7a_100011709246_100000211926 [0,2,0,0,0,0|0,0,0]=2 18611 B14R1.26 OCCOCCNc1cc(ccn1)F 27a_100000211614_100000764206 [0,2,0,0,0,0|2,0,0]=4 18612 B14R1.26 OCCOCCNc1cccc(c1)Br 34a_100000210019_100000692535 [0,2,0,0,0,0|1,0,0]=3 18613 B14R1.26 OCCOCCNc1cccc(c1)Cl 34a_100000185859_100000692535 [0,2,0,0,0,0|1,0,0]=3 18614 B14R1.26 OCCOCCNc1cccc(c1)F 34a_100000210047_100000692535 [0,2,0,0,0,0|1,0,0]=3 18615 B14R1.26 OCCOCCNc1cccc(c1)I 34a_100000211102_100000692535 [0,2,0,0,0,0|1,0,0]=3 18616 B14R1.26 OCCOCCNc1cccc(c1)O 34a_100000210217_100000692535 [0,2,0,0,0,0|1,0,0]=3 18617 B14R1.26 OCCOCCNc1cccc(n1)F 27a_100000211614_100009815982 [0,2,0,0,0,0|2,0,0]=4 18618 B14R1.26 OCCOCCNc1cccc(n1)F 34a_200011432718_100000211926 [0,2,0,0,0,0|2,0,0]=4 18619 B14R1.26 OCCOCCNc1ccnc(c1)F 27a_100000211614_100009816116 [0,2,0,0,0,0|2,0,0]=4 18620 B14R1.26 OCCOCCOc1cccc(c1)Br 34a_100000210342_100000692535 [0,2,0,0,0,0|1,0,0]=3 18621 B14R1.26 OCCOCCOc1cccc(c1)Br 34a_100000757546_100000211926 [0,2,0,0,0,0|1,0,0]=3 18622 B14R1.26 OCCOCCOc1cccc(c1)Br 7a_100000210342_100011215305 [0,2,0,0,0,0|1,0,0]=3 18623 B14R1.26 OCCOCCOc1cccc(c1)Br 7a_100000757546_100000211926 [0,2,0,0,0,0|1,0,0]=3 18624 B14R1.26 OCCOCCOc1cccc(c1)Cl 34a_100000210295_100000692535 [0,2,0,0,0,0|1,0,0]=3 18625 B14R1.26 OCCOCCOc1cccc(c1)Cl 34a_100000230539_100000211926 [0,2,0,0,0,0|1,0,0]=3 18626 B14R1.26 OCCOCCOc1cccc(c1)Cl 7a_100000210295_100011215305 [0,2,0,0,0,0|1,0,0]=3 18627 B14R1.26 OCCOCCOc1cccc(c1)Cl 7a_100000230539_100000211926 [0,2,0,0,0,0|1,0,0]=3 18628 B14R1.26 OCCOCCOc1cccc(c1)F 34a_100000210426_100000692535 [0,2,0,0,0,0|1,0,0]=3 18629 B14R1.26 OCCOCCOc1cccc(c1)F 7a_100000210426_100011215305 [0,2,0,0,0,0|1,0,0]=3 18630 B14R1.26 OCCOCCOc1cccc(c1)I 34a_100000211634_100000692535 [0,2,0,0,0,0|1,0,0]=3 18631 B14R1.26 OCCOCCOc1cccc(c1)I 7a_100000211634_100011215305 [0,2,0,0,0,0|1,0,0]=3 18632 B14R1.26 OCCOCCOc1cccc(n1)F 34a_100011432558_100000692535 [0,2,0,0,0,0|2,0,0]=4 18633 B14R1.26 OCCOCCOc1ccnc(c1)Cl 34a_100000762945_100000692535 [0,2,0,0,0,0|2,0,0]=4 18634 B14R1.26 OCCOCCOc1ccnc(c1)F 34a_100000732698_100000692535 [0,2,0,0,0,0|2,0,0]=4 18635 B14R1.26 OCCOCCOc1cncc(c1)Br 34a_100000754920_100000692535 [0,2,0,0,0,0|2,0,0]=4 18636 B14R1.26 OCCOCCOc1cncc(c1)Br 7a_100000754920_100011215305 [0,2,0,0,0,0|2,0,0]=4 18637 B14R1.26 OCCOCCOc1cncc(c1)Cl 7a_100000032511_100011215305 [0,2,0,0,0,0|2,0,0]=4 18638 B14R1.26 OCCOCCOc1cncc(c1)F 34a_100011830296_100000692535 [0,2,0,0,0,0|2,0,0]=4 18639 B14R1.26 OCCOCCOc1cncc(c1)F 7a_100011830296_100011215305 [0,2,0,0,0,0|2,0,0]=4 18640 B14R1.26 OCCOCCSc1cc(ccn1)Cl 62a_100010167805_100011215305 [0,2,0,0,0,0|2,0,0]=4 18641 B14R1.26 OCCOCCSc1cc(ccn1)Cl 62a_100011215305_100010167805 [0,2,0,0,0,0|2,0,0]=4 18642 B14R1.26 OCCOCCSc1cc(ccn1)F 62a_100000764206_100011215305 [0,2,0,0,0,0|2,0,0]=4 18643 B14R1.26 OCCOCCSc1cc(ccn1)F 62a_100011215305_100000764206 [0,2,0,0,0,0|2,0,0]=4 18644 B14R1.26 OCCOCCSc1cc(ccn1)O 62a_100011215305_100000762945 [0,2,0,0,0,0|2,0,0]=4 18645 B14R1.26 OCCOCCSc1cccc(c1)Br 62a_100000691529_100011215305 [0,2,0,0,0,0|1,0,0]=3 18646 B14R1.26 OCCOCCSc1cccc(c1)Br 62a_100011215305_100000691529 [0,2,0,0,0,0|1,0,0]=3 18647 B14R1.26 OCCOCCSc1cccc(c1)Br 7a_200011756134_100000211926 [0,2,0,0,0,0|1,0,0]=3 18648 B14R1.26 OCCOCCSc1cccc(c1)Cl 34a_200011721761_100000211926 [0,2,0,0,0,0|1,0,0]=3 18649 B14R1.26 OCCOCCSc1cccc(c1)Cl 62a_100000699651_100011215305 [0,2,0,0,0,0|1,0,0]=3 18650 B14R1.26 OCCOCCSc1cccc(c1)Cl 62a_100011215305_100000699651 [0,2,0,0,0,0|1,0,0]=3 18651 B14R1.26 OCCOCCSc1cccc(c1)Cl 7a_200011721761_100000211926 [0,2,0,0,0,0|1,0,0]=3 18652 B14R1.26 OCCOCCSc1cccc(c1)F 34a_200011996949_100000211926 [0,2,0,0,0,0|1,0,0]=3 18653 B14R1.26 OCCOCCSc1cccc(c1)F 62a_100000685547_100011215305 [0,2,0,0,0,0|1,0,0]=3 18654 B14R1.26 OCCOCCSc1cccc(c1)F 62a_100011215305_100000685547 [0,2,0,0,0,0|1,0,0]=3 18655 B14R1.26 OCCOCCSc1cccc(c1)F 7a_200011996949_100000211926 [0,2,0,0,0,0|1,0,0]=3 18656 B14R1.26 OCCOCCSc1cccc(c1)O 62a_100011215305_100000211634 [0,2,0,0,0,0|1,0,0]=3 18657 B14R1.26 OCCOCCSc1cccc(c1)[S] 62a_100011215305_114929384022 [0,2,0,0,0,0|1,0,0]=3 18658 B14R1.26 OCCOCCSc1cccc(c1)[S] 62a_114929384022_100011215305 [0,2,0,0,0,0|1,0,0]=3 18659 B14R1.26 OCCOCCSc1cccc(n1)Br 62a_100000684672_100011215305 [0,2,0,0,0,0|2,0,0]=4 18660 B14R1.26 OCCOCCSc1cccc(n1)Br 62a_100011215305_100000684672 [0,2,0,0,0,0|2,0,0]=4 18661 B14R1.26 OCCOCCSc1cccc(n1)Cl 62a_100000051397_100011215305 [0,2,0,0,0,0|2,0,0]=4 18662 B14R1.26 OCCOCCSc1cccc(n1)Cl 62a_100011215305_100000051397 [0,2,0,0,0,0|2,0,0]=4 18663 B14R1.26 OCCOCCSc1cccc(n1)F 62a_100009815982_100011215305 [0,2,0,0,0,0|2,0,0]=4 18664 B14R1.26 OCCOCCSc1cccc(n1)F 62a_100011215305_100009815982 [0,2,0,0,0,0|2,0,0]=4 18665 B14R1.26 OCCOCCSc1ccnc(c1)Br 62a_100009814637_100011215305 [0,2,0,0,0,0|2,0,0]=4 18666 B14R1.26 OCCOCCSc1ccnc(c1)Br 62a_100011215305_100009814637 [0,2,0,0,0,0|2,0,0]=4 18667 B14R1.26 OCCOCCSc1ccnc(c1)Cl 62a_100000035001_100011215305 [0,2,0,0,0,0|2,0,0]=4 18668 B14R1.26 OCCOCCSc1ccnc(c1)Cl 62a_100011215305_100000035001 [0,2,0,0,0,0|2,0,0]=4 18669 B14R1.26 OCCOCCSc1ccnc(c1)F 62a_100009816116_100011215305 [0,2,0,0,0,0|2,0,0]=4 18670 B14R1.26 OCCOCCSc1ccnc(c1)F 62a_100011215305_100009816116 [0,2,0,0,0,0|2,0,0]=4 18671 B14R1.26 OCCOCCSc1cncc(c1)Br 62a_100000728054_100011215305 [0,2,0,0,0,0|2,0,0]=4 18672 B14R1.26 OCCOCCSc1cncc(c1)Br 62a_100011215305_100000728054 [0,2,0,0,0,0|2,0,0]=4 18673 B14R1.26 OCCOCCSc1cncc(c1)Cl 62a_100000049639_100011215305 [0,2,0,0,0,0|2,0,0]=4 18674 B14R1.26 OCCOCCSc1cncc(c1)Cl 62a_100011215305_100000049639 [0,2,0,0,0,0|2,0,0]=4 18675 B14R1.26 OCCOCCSc1cncc(c1)F 62a_100000744099_100011215305 [0,2,0,0,0,0|2,0,0]=4 18676 B14R1.26 OCCOCCSc1cncc(c1)F 62a_100011215305_100000744099 [0,2,0,0,0,0|2,0,0]=4 18677 B14R1.26 OCCOCCSc1cncc(c1)O 62a_100000754920_100011215305 [0,2,0,0,0,0|2,0,0]=4 18678 B14R1.26 OCCOCCSc1cncc(c1)O 62a_100011215305_100000754920 [0,2,0,0,0,0|2,0,0]=4 18679 B14R1.26 OCCSCC#Cc1cccc(c1)Br 62a_100000211926_100010706776 [0,2,0,0,0,0|0,0,2]=4 18680 B14R1.26 OCCSCC#Cc1cccc(c1)Br 62a_100010706776_100000211926 [0,2,0,0,0,0|0,0,2]=4 18681 B14R1.26 OCCSCC#Cc1cccc(c1)F 62a_100000211926_100010402994 [0,2,0,0,0,0|0,0,2]=4 18682 B14R1.26 OCCSCC#Cc1cccc(c1)F 62a_100010402994_100000211926 [0,2,0,0,0,0|0,0,2]=4 18683 B14R1.26 OCCSCCCc1cccc(c1)Br 62a_100000211926_100011713683 [0,2,0,0,0,0|0,0,0]=2 18684 B14R1.26 OCCSCCCc1cccc(c1)Br 62a_100011713683_100000211926 [0,2,0,0,0,0|0,0,0]=2 18685 B14R1.26 OCCSCCCc1cccc(c1)F 62a_100000211926_200000698031 [0,2,0,0,0,0|0,0,0]=2 18686 B14R1.26 OCCSCCCc1cccc(c1)F 62a_200000698031_100000211926 [0,2,0,0,0,0|0,0,0]=2 18687 B14R1.26 OCCSCCNc1cc(ccn1)F 27a_100011219999_100000764206 [0,2,0,0,0,0|2,0,0]=4 18688 B14R1.26 OCCSCCNc1cccc(n1)F 27a_100011219999_100009815982 [0,2,0,0,0,0|2,0,0]=4 18689 B14R1.26 OCCSCCNc1ccnc(c1)F 27a_100011219999_100009816116 [0,2,0,0,0,0|2,0,0]=4 18690 B14R1.26 OCCSCCOc1cccc(c1)Br 62a_100000183150_100000211926 [0,2,0,0,0,0|1,0,0]=3 18691 B14R1.26 OCCSCCOc1cccc(c1)Br 62a_100000211926_100000183150 [0,2,0,0,0,0|1,0,0]=3 18692 B14R1.26 OCCSCCOc1cccc(c1)Cl 62a_100000181161_100000211926 [0,2,0,0,0,0|1,0,0]=3 18693 B14R1.26 OCCSCCOc1cccc(c1)Cl 62a_100000211926_100000181161 [0,2,0,0,0,0|1,0,0]=3 18694 B14R1.26 OCCSCCOc1cccc(c1)F 62a_100000211926_100000739188 [0,2,0,0,0,0|1,0,0]=3 18695 B14R1.26 OCCSCCOc1cccc(c1)F 62a_100000739188_100000211926 [0,2,0,0,0,0|1,0,0]=3 18696 B14R1.26 Oc1cccc(c1)CCNCCCF 2230a_100000747277_100011934791 [0,2,0,0,0,0|1,0,0]=3 18697 B14R1.26 Oc1cccc(c1)CCNCCCF 34a_100000747277_100011934791 [0,2,0,0,0,0|1,0,0]=3 18698 B14R1.26 Oc1cccc(c1)CNCCCCF 2230a_100000743036_100000729493 [0,2,0,0,0,0|1,0,0]=3 18699 B14R1.26 Oc1cccc(c1)CNCCCCF 34a_100000743036_100000729493 [0,2,0,0,0,0|1,0,0]=3 18700 B14R1.26 Oc1cccc(c1)COCCCCBr 34a_100011216708_100011660834 [0,2,0,0,0,0|1,0,0]=3 18701 B14R1.26 Oc1cccc(c1)COCCCCCl 34a_100000210776_100011660834 [0,2,0,0,0,0|1,0,0]=3 18702 B14R1.26 Oc1cccc(c1)COCCCCCl 7a_100000210776_100000084143 [0,2,0,0,0,0|1,0,0]=3 18703 B14R1.26 Oc1cccc(c1)COCCCCF 34a_100011995726_100011660834 [0,2,0,0,0,0|1,0,0]=3 18704 B14R1.26 Oc1cccc(c1)COCCCCF 7a_100011995726_100000084143 [0,2,0,0,0,0|1,0,0]=3 18705 B14R1.26 Oc1cccc(c1)COCCCCI 34a_200012148704_100011660834 [0,2,0,0,0,0|1,0,0]=3 18706 B14R1.26 Oc1cccc(c1)CSCCCCF 62a_100000729493_100011660834 [0,2,0,0,0,0|1,0,0]=3 18707 B14R1.26 Oc1cccc(c1)CSCCCCF 62a_100011660834_100000729493 [0,2,0,0,0,0|1,0,0]=3 18708 B14R1.26 Oc1cccc(c1)NCCCCCF 34a_100000210217_100000729378 [0,2,0,0,0,0|1,0,0]=3 18709 B14R1.26 Oc1cccc(c1)SCCCCCF 62a_100000729378_100000211634 [0,2,0,0,0,0|1,0,0]=3 18710 B14R1.26 Oc1ccnc(c1)SCCCCCF 62a_100000729378_100000762945 [0,2,0,0,0,0|2,0,0]=4 18711 B14R1.26 Oc1cncc(c1)SCCCCCF 62a_100000729378_100000754920 [0,2,0,0,0,0|2,0,0]=4 18712 B14R1.26 Oc1cncc(c1)SCCCCCF 62a_100000754920_100000729378 [0,2,0,0,0,0|2,0,0]=4 18713 B14R1.26 [13CH3]NCCCSCc1cccc(c1)Cl 2230a_100012022077_200025704644 [0,2,0,0,0,0|2,0,0]=4 18714 B14R1.26 [13CH3]NCCCSCc1cccc(c1)Cl 34a_100012022077_200025704644 [0,2,0,0,0,0|2,0,0]=4 18715 B14R1.26 [13CH3]NCCCSCc1cccc(c1)Cl 7a_100012022077_200025704644 [0,2,0,0,0,0|2,0,0]=4 18716 B14R1.26 [O-][n+]1cccc(c1)COCCCCF 34a_100000037817_100000729493 [0,2,0,0,0,0|2,0,0]=4 18717 B14R1.26 [O-][n+]1cccc(c1)COCCCCF 7a_100000037817_100000729493 [0,2,0,0,0,0|2,0,0]=4 18718 B14R1.26 [O-][n+]1cccc(c1)COCCCCO 34a_100000037817_100011216708 [0,2,0,0,0,0|1,0,0]=3 18719 B14R1.26 [O-][n+]1cccc(c1)COCCCCO 7a_100000037817_100000210776 [0,2,0,0,0,0|1,0,0]=3 18720 B14R1.26 [O-][n+]1cccc(c1)OCCCCCF 34a_100000039713_100000729378 [0,2,0,0,0,0|2,0,0]=4 18721 B14R1.26 [O-][n+]1cccc(c1)OCCCCCF 7a_100000039713_100000729378 [0,2,0,0,0,0|2,0,0]=4 18722 B14R1.26 [O-][n+]1cccc(c1)OCCCCCO 34a_100000039713_100000746330 [0,2,0,0,0,0|1,0,0]=3 18723 B14R1.26 [O-][n+]1cccc(c1)OCCCCCO 7a_100000039713_100000746330 [0,2,0,0,0,0|1,0,0]=3 18724 B14R1.26 [O-][n+]1cccc(c1)OCCOCCO 34a_100000039713_100000692535 [0,2,0,0,0,0|2,0,0]=4 18725 B14R1.26 [O-][n+]1cccc(c1)OCCOCCO 7a_100000039713_100011215305 [0,2,0,0,0,0|2,0,0]=4 18726 B14R1.26 [O-][n+]1cccc(c1)SCCCCCF 62a_100000729378_100009815978 [0,2,0,0,0,0|2,0,0]=4 18727 B14R1.26 [O-][n+]1cccc(c1)SCCCCCO 62a_100000746330_100009815978 [0,2,0,0,0,0|1,0,0]=3 18728 B14R1.26 [O-][n+]1cccc(c1)SCCOCCO 62a_100011215305_100009815978 [0,2,0,0,0,0|2,0,0]=4 18729 B14R1.26 [O-][n+]1ccnc(c1)NCCCCCO 27a_100000762737_100009880115 [0,2,0,0,0,0|2,0,0]=4 18730 B14R1.26 [O-][n+]1ccnc(c1)SCCCCCO 62a_100000746330_100009880115 [0,2,0,0,0,0|2,0,0]=4 18731 B14R1.32 CC(CCBr)OCc1cccc(c1)Br 34a_100012276601_100000698116 [0,2,0,0,0,0|2,0,0]=4 18732 B14R1.32 CC(CCBr)OCc1cccc(c1)Cl 34a_100012276601_100000187163 [0,2,0,0,0,0|2,0,0]=4 18733 B14R1.32 CC(CCBr)OCc1cccc(c1)F 34a_100012276601_100000187166 [0,2,0,0,0,0|2,0,0]=4 18734 B14R1.32 CC(CCBr)OCc1cccc(c1)I 34a_100012276601_100011218688 [0,2,0,0,0,0|2,0,0]=4 18735 B14R1.32 CC(CCBr)OCc1cccc(c1)O 34a_100012276601_100011660834 [0,2,0,0,0,0|2,0,0]=4 18736 B14R1.32 CC(CCO)NCc1cccc(=O)[nH]1 2230a_100000696482_100009893172 [0,2,0,0,0,0|2,0,0]=4 18737 B14R1.32 CC(CCO)NCc1cccc(c1)Br 2230a_100000174977_100009893172 [0,2,0,0,0,0|1,0,0]=3 18738 B14R1.32 CC(CCO)NCc1cccc(c1)Br 34a_100000174977_100009893172 [0,2,0,0,0,0|1,0,0]=3 18739 B14R1.32 CC(CCO)NCc1cccc(c1)Cl 2230a_100000174878_100009893172 [0,2,0,0,0,0|1,0,0]=3 18740 B14R1.32 CC(CCO)NCc1cccc(c1)Cl 34a_100000174878_100009893172 [0,2,0,0,0,0|1,0,0]=3 18741 B14R1.32 CC(CCO)NCc1cccc(c1)F 2230a_100000174948_100009893172 [0,2,0,0,0,0|1,0,0]=3 18742 B14R1.32 CC(CCO)NCc1cccc(c1)F 34a_100000174948_100009893172 [0,2,0,0,0,0|1,0,0]=3 18743 B14R1.32 CC(CCO)NCc1cccc(c1)I 2230a_100000106179_100009893172 [0,2,0,0,0,0|1,0,0]=3 18744 B14R1.32 CC(CCO)NCc1cccc(c1)I 34a_100000106179_100009893172 [0,2,0,0,0,0|1,0,0]=3 18745 B14R1.32 CC(CCO)NCc1cccc(c1)O 2230a_100000743036_100009893172 [0,2,0,0,0,0|1,0,0]=3 18746 B14R1.32 CC(CCO)NCc1cccc(c1)O 34a_100000743036_100009893172 [0,2,0,0,0,0|1,0,0]=3 18747 B14R1.32 CC(CCO)NCc1cccc(n1)Br 2230a_100016987751_100009893172 [0,2,0,0,0,0|2,0,0]=4 18748 B14R1.32 CC(CCO)NCc1cccc(n1)Cl 2230a_100016990191_100009893172 [0,2,0,0,0,0|2,0,0]=4 18749 B14R1.32 CC(CCO)NCc1cccc(n1)F 2230a_100015188798_100009893172 [0,2,0,0,0,0|2,0,0]=4 18750 B14R1.32 CC(CCO)NCc1cccc(n1)F 34a_100015188798_100009893172 [0,2,0,0,0,0|2,0,0]=4 18751 B14R1.32 CC(CCO)NCc1ccnc(c1)Br 2230a_100025757509_100009893172 [0,2,0,0,0,0|2,0,0]=4 18752 B14R1.32 CC(CCO)NCc1ccnc(c1)Br 34a_100025757509_100009893172 [0,2,0,0,0,0|2,0,0]=4 18753 B14R1.32 CC(CCO)NCc1ccnc(c1)Cl 2230a_100015205668_100009893172 [0,2,0,0,0,0|2,0,0]=4 18754 B14R1.32 CC(CCO)NCc1ccnc(c1)Cl 34a_100015205668_100009893172 [0,2,0,0,0,0|2,0,0]=4 18755 B14R1.32 CC(CCO)NCc1ccnc(c1)F 2230a_100015188774_100009893172 [0,2,0,0,0,0|2,0,0]=4 18756 B14R1.32 CC(CCO)NCc1ccnc(c1)F 34a_100015188774_100009893172 [0,2,0,0,0,0|2,0,0]=4 18757 B14R1.32 CC(CCO)NCc1cncc(c1)Cl 2230a_200020614424_100009893172 [0,2,0,0,0,0|2,0,0]=4 18758 B14R1.32 CC(CCO)NCc1cncc(c1)F 2230a_100011962886_100009893172 [0,2,0,0,0,0|2,0,0]=4 18759 B14R1.32 CC(CCO)NCc1cncc(c1)F 34a_100011962886_100009893172 [0,2,0,0,0,0|2,0,0]=4 18760 B14R1.32 CC(CCO)OCc1cc(ccn1)Cl 34a_100000748867_100009893172 [0,2,0,0,0,0|2,0,0]=4 18761 B14R1.32 CC(CCO)OCc1cc(ccn1)N 34a_100000692640_100009893172 [0,2,0,0,0,0|2,0,0]=4 18762 B14R1.32 CC(CCO)OCc1ccc[n+](c1)[O-] 34a_100000037817_100009893172 [0,2,0,0,0,0|2,0,0]=4 18763 B14R1.32 CC(CCO)OCc1ccc[n+](c1)[O-] 7a_100000037817_100009893172 [0,2,0,0,0,0|2,0,0]=4 18764 B14R1.32 CC(CCO)OCc1cccc(c1)Br 34a_100000687537_100009893172 [0,2,0,0,0,0|1,0,0]=3 18765 B14R1.32 CC(CCO)OCc1cccc(c1)Br 7a_100000687537_100009893172 [0,2,0,0,0,0|1,0,0]=3 18766 B14R1.32 CC(CCO)OCc1cccc(c1)Cl 34a_100000241301_100009893172 [0,2,0,0,0,0|1,0,0]=3 18767 B14R1.32 CC(CCO)OCc1cccc(c1)Cl 7a_100000241301_100009893172 [0,2,0,0,0,0|1,0,0]=3 18768 B14R1.32 CC(CCO)OCc1cccc(c1)F 34a_100000210976_100009893172 [0,2,0,0,0,0|1,0,0]=3 18769 B14R1.32 CC(CCO)OCc1cccc(c1)F 7a_100000210976_100009893172 [0,2,0,0,0,0|1,0,0]=3 18770 B14R1.32 CC(CCO)OCc1cccc(c1)I 34a_100011215336_100009893172 [0,2,0,0,0,0|1,0,0]=3 18771 B14R1.32 CC(CCO)OCc1cccc(c1)I 7a_100011215336_100009893172 [0,2,0,0,0,0|1,0,0]=3 18772 B14R1.32 CC(CCO)OCc1cccc(c1)N 34a_100000211919_100009893172 [0,2,0,0,0,0|1,0,0]=3 18773 B14R1.32 CC(CCO)OCc1cccc(n1)Br 34a_100000694195_100009893172 [0,2,0,0,0,0|2,0,0]=4 18774 B14R1.32 CC(CCO)OCc1cccc(n1)Cl 34a_100011998359_100009893172 [0,2,0,0,0,0|2,0,0]=4 18775 B14R1.32 CC(CCO)OCc1cccc(n1)F 34a_100000086748_100009893172 [0,2,0,0,0,0|2,0,0]=4 18776 B14R1.32 CC(CCO)OCc1ccnc(c1)Br 34a_100009814636_100009893172 [0,2,0,0,0,0|2,0,0]=4 18777 B14R1.32 CC(CCO)OCc1ccnc(c1)Br 7a_100009814636_100009893172 [0,2,0,0,0,0|2,0,0]=4 18778 B14R1.32 CC(CCO)OCc1ccnc(c1)Cl 34a_100000748751_100009893172 [0,2,0,0,0,0|2,0,0]=4 18779 B14R1.32 CC(CCO)OCc1ccnc(c1)F 34a_100000082451_100009893172 [0,2,0,0,0,0|2,0,0]=4 18780 B14R1.32 CC(CCO)OCc1cncc(c1)Br 34a_100011259137_100009893172 [0,2,0,0,0,0|2,0,0]=4 18781 B14R1.32 CC(CCO)OCc1cncc(c1)Br 7a_100011259137_100009893172 [0,2,0,0,0,0|2,0,0]=4 18782 B14R1.32 CC(CCO)OCc1cncc(c1)Cl 34a_100000092867_100009893172 [0,2,0,0,0,0|2,0,0]=4 18783 B14R1.32 CC(CCO)OCc1cncc(c1)Cl 7a_100000092867_100009893172 [0,2,0,0,0,0|2,0,0]=4 18784 B14R1.32 CC(CCO)OCc1cncc(c1)F 34a_100011962875_100009893172 [0,2,0,0,0,0|2,0,0]=4 18785 B14R1.32 CC(CCO)OCc1cncc(c1)F 7a_100011962875_100009893172 [0,2,0,0,0,0|2,0,0]=4 18786 B14R1.32 CC(CCO)OCc1cncc(c1)N 34a_100000085308_100009893172 [0,2,0,0,0,0|2,0,0]=4 18787 B14R1.32 CC(CCO)SCc1cc(ccn1)Br 62a_100009893172_100010173614 [0,2,0,0,0,0|2,0,0]=4 18788 B14R1.32 CC(CCO)SCc1cc(ccn1)Br 62a_100010173614_100009893172 [0,2,0,0,0,0|2,0,0]=4 18789 B14R1.32 CC(CCO)SCc1cc(ccn1)Cl 62a_100009893172_100016988179 [0,2,0,0,0,0|2,0,0]=4 18790 B14R1.32 CC(CCO)SCc1cc(ccn1)Cl 62a_100016988179_100009893172 [0,2,0,0,0,0|2,0,0]=4 18791 B14R1.32 CC(CCO)SCc1cccc(c1)Br 62a_100000211773_100009893172 [0,2,0,0,0,0|1,0,0]=3 18792 B14R1.32 CC(CCO)SCc1cccc(c1)Br 62a_100009893172_100000211773 [0,2,0,0,0,0|1,0,0]=3 18793 B14R1.32 CC(CCO)SCc1cccc(c1)Cl 62a_100000187163_100009893172 [0,2,0,0,0,0|1,0,0]=3 18794 B14R1.32 CC(CCO)SCc1cccc(c1)Cl 62a_100009893172_100000187163 [0,2,0,0,0,0|1,0,0]=3 18795 B14R1.32 CC(CCO)SCc1cccc(c1)F 62a_100000230114_100009893172 [0,2,0,0,0,0|1,0,0]=3 18796 B14R1.32 CC(CCO)SCc1cccc(c1)F 62a_100009893172_100000230114 [0,2,0,0,0,0|1,0,0]=3 18797 B14R1.32 CC(CCO)SCc1cccc(c1)I 62a_100009893172_100011218688 [0,2,0,0,0,0|1,0,0]=3 18798 B14R1.32 CC(CCO)SCc1cccc(c1)I 62a_100011218688_100009893172 [0,2,0,0,0,0|1,0,0]=3 18799 B14R1.32 CC(CCO)SCc1cccc(c1)O 62a_100009893172_100011660834 [0,2,0,0,0,0|1,0,0]=3 18800 B14R1.32 CC(CCO)SCc1cccc(c1)O 62a_100011660834_100009893172 [0,2,0,0,0,0|1,0,0]=3 18801 B14R1.32 CC(CCO)SCc1cccc(n1)Br 62a_100009889011_100009893172 [0,2,0,0,0,0|2,0,0]=4 18802 B14R1.32 CC(CCO)SCc1cccc(n1)Br 62a_100009893172_100009889011 [0,2,0,0,0,0|2,0,0]=4 18803 B14R1.32 CC(CCO)SCc1cccc(n1)Cl 62a_100000086093_100009893172 [0,2,0,0,0,0|2,0,0]=4 18804 B14R1.32 CC(CCO)SCc1cccc(n1)Cl 62a_100009893172_100000086093 [0,2,0,0,0,0|2,0,0]=4 18805 B14R1.32 CC(CCO)SCc1cccc(n1)F 62a_100009819644_100009893172 [0,2,0,0,0,0|2,0,0]=4 18806 B14R1.32 CC(CCO)SCc1cccc(n1)F 62a_100009893172_100009819644 [0,2,0,0,0,0|2,0,0]=4 18807 B14R1.32 CC(CCO)SCc1ccnc(c1)Br 62a_100009893172_100010243470 [0,2,0,0,0,0|2,0,0]=4 18808 B14R1.32 CC(CCO)SCc1ccnc(c1)Br 62a_100010254460_100009893172 [0,2,0,0,0,0|2,0,0]=4 18809 B14R1.32 CC(CCO)SCc1ccnc(c1)Cl 62a_100000764220_100009893172 [0,2,0,0,0,0|2,0,0]=4 18810 B14R1.32 CC(CCO)SCc1ccnc(c1)Cl 62a_100009893172_100000764220 [0,2,0,0,0,0|2,0,0]=4 18811 B14R1.32 CC(CCO)SCc1cncc(c1)Br 62a_100000738771_100009893172 [0,2,0,0,0,0|2,0,0]=4 18812 B14R1.32 CC(CCO)SCc1cncc(c1)Br 62a_100009893172_100000738771 [0,2,0,0,0,0|2,0,0]=4 18813 B14R1.32 CC(CCO)SCc1cncc(c1)Cl 62a_100009893172_100016992070 [0,2,0,0,0,0|2,0,0]=4 18814 B14R1.32 CC(CCO)SCc1cncc(c1)Cl 62a_100016992070_100009893172 [0,2,0,0,0,0|2,0,0]=4 18815 B14R1.32 CC(CCO)SCc1cncc(c1)F 62a_100000725299_100009893172 [0,2,0,0,0,0|2,0,0]=4 18816 B14R1.32 CC(CCO)SCc1cncc(c1)F 62a_100009893172_100000725299 [0,2,0,0,0,0|2,0,0]=4 18817 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210303 [0,2,0,0,0,0|1,0,1]=4 18818 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000211992_100011740638 [0,2,0,0,0,0|1,0,1]=4 18819 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000211992_100011713685 [0,2,0,0,0,0|1,0,1]=4 18820 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210303 [0,2,0,0,0,0|1,0,1]=4 18821 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000211992_100011713710 [0,2,0,0,0,0|1,0,1]=4 18822 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210303 [0,2,0,0,0,0|1,0,1]=4 18823 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000211992_100011217235 [0,2,0,0,0,0|1,0,1]=4 18824 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210303 [0,2,0,0,0,0|1,0,1]=4 18825 B14R1.32 CCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210303 [0,2,0,0,0,0|1,0,1]=4 18826 B14R1.32 CCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210303 [0,2,0,0,0,0|1,0,1]=4 18827 B14R1.32 CCCC(C)CNc1cccc(c1)Br 34a_100000210019_100011216630 [0,2,0,0,0,0|2,0,0]=4 18828 B14R1.32 CCCC(C)CNc1cccc(c1)C 2230a_100000188690_100011216630 [0,2,0,0,0,0|2,0,0]=4 18829 B14R1.32 CCCC(C)CNc1cccc(c1)C 34a_100000188690_100011216630 [0,2,0,0,0,0|2,0,0]=4 18830 B14R1.32 CCCC(C)CNc1cccc(c1)Cl 34a_100000185859_100011216630 [0,2,0,0,0,0|2,0,0]=4 18831 B14R1.32 CCCC(C)CNc1cccc(c1)F 34a_100000210047_100011216630 [0,2,0,0,0,0|2,0,0]=4 18832 B14R1.32 CCCC(C)CNc1cccc(c1)I 34a_100000211102_100011216630 [0,2,0,0,0,0|2,0,0]=4 18833 B14R1.32 CCCC(C)CNc1cccc(c1)O 34a_100000210217_100011216630 [0,2,0,0,0,0|2,0,0]=4 18834 B14R1.32 CCCC(C)COc1cccc(c1)Br 34a_100000210342_100011216630 [0,2,0,0,0,0|2,0,0]=4 18835 B14R1.32 CCCC(C)COc1cccc(c1)Br 7a_100000210342_100011216630 [0,2,0,0,0,0|2,0,0]=4 18836 B14R1.32 CCCC(C)COc1cccc(c1)C 34a_100000210337_100011216630 [0,2,0,0,0,0|2,0,0]=4 18837 B14R1.32 CCCC(C)COc1cccc(c1)C 7a_100000210337_100011216630 [0,2,0,0,0,0|2,0,0]=4 18838 B14R1.32 CCCC(C)COc1cccc(c1)Cl 34a_100000210295_100011216630 [0,2,0,0,0,0|2,0,0]=4 18839 B14R1.32 CCCC(C)COc1cccc(c1)Cl 7a_100000210295_100011216630 [0,2,0,0,0,0|2,0,0]=4 18840 B14R1.32 CCCC(C)COc1cccc(c1)F 34a_100000210426_100011216630 [0,2,0,0,0,0|2,0,0]=4 18841 B14R1.32 CCCC(C)COc1cccc(c1)F 7a_100000210426_100011216630 [0,2,0,0,0,0|2,0,0]=4 18842 B14R1.32 CCCC(C)COc1cccc(c1)I 34a_100000211634_100011216630 [0,2,0,0,0,0|2,0,0]=4 18843 B14R1.32 CCCC(C)COc1cccc(c1)I 7a_100000211634_100011216630 [0,2,0,0,0,0|2,0,0]=4 18844 B14R1.32 CCCC(C)COc1cccc(c1)N 34a_100000210217_100011216630 [0,2,0,0,0,0|2,0,0]=4 18845 B14R1.32 CCCC(C)CSc1cccc(c1)Br 62a_100000691529_100011216630 [0,2,0,0,0,0|2,0,0]=4 18846 B14R1.32 CCCC(C)CSc1cccc(c1)Br 62a_100011216630_100000691529 [0,2,0,0,0,0|2,0,0]=4 18847 B14R1.32 CCCC(C)CSc1cccc(c1)C 62a_100011215228_100011216630 [0,2,0,0,0,0|2,0,0]=4 18848 B14R1.32 CCCC(C)CSc1cccc(c1)C 62a_100011216630_100011215228 [0,2,0,0,0,0|2,0,0]=4 18849 B14R1.32 CCCC(C)CSc1cccc(c1)Cl 62a_100000699651_100011216630 [0,2,0,0,0,0|2,0,0]=4 18850 B14R1.32 CCCC(C)CSc1cccc(c1)Cl 62a_100011216630_100000699651 [0,2,0,0,0,0|2,0,0]=4 18851 B14R1.32 CCCC(C)CSc1cccc(c1)F 62a_100000685547_100011216630 [0,2,0,0,0,0|2,0,0]=4 18852 B14R1.32 CCCC(C)CSc1cccc(c1)F 62a_100011216630_100000685547 [0,2,0,0,0,0|2,0,0]=4 18853 B14R1.32 CCCC(C)CSc1cccc(c1)N 62a_100000210019_100011216630 [0,2,0,0,0,0|2,0,0]=4 18854 B14R1.32 CCCC(C)CSc1cccc(c1)N 62a_100011216630_100000210019 [0,2,0,0,0,0|2,0,0]=4 18855 B14R1.32 CCCC(C)CSc1cccc(c1)O 62a_100011216630_100000211634 [0,2,0,0,0,0|2,0,0]=4 18856 B14R1.32 CCCC(C)CSc1cccc(c1)[S] 62a_100011216630_114929384022 [0,2,0,0,0,0|2,0,0]=4 18857 B14R1.32 CCCC(C)CSc1cccc(c1)[S] 62a_114929384022_100011216630 [0,2,0,0,0,0|2,0,0]=4 18858 B14R1.32 CCCC(C)NCc1cccc(c1)Br 207a_100000741246_100000210085 [0,2,0,0,0,0|2,0,0]=4 18859 B14R1.32 CCCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000766640 [0,2,0,0,0,0|2,0,0]=4 18860 B14R1.32 CCCC(C)NCc1cccc(c1)Br 2230a_100000741246_100000698116 [0,2,0,0,0,0|2,0,0]=4 18861 B14R1.32 CCCC(C)NCc1cccc(c1)Br 270004a_100000174977_100000211909 [0,2,0,0,0,0|2,0,0]=4 18862 B14R1.32 CCCC(C)NCc1cccc(c1)Br 270004a_100000741246_100000210085 [0,2,0,0,0,0|2,0,0]=4 18863 B14R1.32 CCCC(C)NCc1cccc(c1)Br 34a_100000174977_100000766640 [0,2,0,0,0,0|2,0,0]=4 18864 B14R1.32 CCCC(C)NCc1cccc(c1)C 207a_100000741246_100000211157 [0,2,0,0,0,0|2,0,0]=4 18865 B14R1.32 CCCC(C)NCc1cccc(c1)C 2230a_100000185548_100000766640 [0,2,0,0,0,0|2,0,0]=4 18866 B14R1.32 CCCC(C)NCc1cccc(c1)C 2230a_100000741246_100000211840 [0,2,0,0,0,0|2,0,0]=4 18867 B14R1.32 CCCC(C)NCc1cccc(c1)C 270004a_100000185548_100000211909 [0,2,0,0,0,0|2,0,0]=4 18868 B14R1.32 CCCC(C)NCc1cccc(c1)C 270004a_100000741246_100000211157 [0,2,0,0,0,0|2,0,0]=4 18869 B14R1.32 CCCC(C)NCc1cccc(c1)C 34a_100000185548_100000766640 [0,2,0,0,0,0|2,0,0]=4 18870 B14R1.32 CCCC(C)NCc1cccc(c1)Cl 207a_100000741246_100000210801 [0,2,0,0,0,0|2,0,0]=4 18871 B14R1.32 CCCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000766640 [0,2,0,0,0,0|2,0,0]=4 18872 B14R1.32 CCCC(C)NCc1cccc(c1)Cl 2230a_100000741246_100000181238 [0,2,0,0,0,0|2,0,0]=4 18873 B14R1.32 CCCC(C)NCc1cccc(c1)Cl 270004a_100000174878_100000211909 [0,2,0,0,0,0|2,0,0]=4 18874 B14R1.32 CCCC(C)NCc1cccc(c1)Cl 270004a_100000741246_100000210801 [0,2,0,0,0,0|2,0,0]=4 18875 B14R1.32 CCCC(C)NCc1cccc(c1)Cl 34a_100000174878_100000766640 [0,2,0,0,0,0|2,0,0]=4 18876 B14R1.32 CCCC(C)NCc1cccc(c1)F 207a_100000741246_100000210812 [0,2,0,0,0,0|2,0,0]=4 18877 B14R1.32 CCCC(C)NCc1cccc(c1)F 2230a_100000174948_100000766640 [0,2,0,0,0,0|2,0,0]=4 18878 B14R1.32 CCCC(C)NCc1cccc(c1)F 2230a_100000741246_100000230114 [0,2,0,0,0,0|2,0,0]=4 18879 B14R1.32 CCCC(C)NCc1cccc(c1)F 270004a_100000174948_100000211909 [0,2,0,0,0,0|2,0,0]=4 18880 B14R1.32 CCCC(C)NCc1cccc(c1)F 270004a_100000741246_100000210812 [0,2,0,0,0,0|2,0,0]=4 18881 B14R1.32 CCCC(C)NCc1cccc(c1)F 34a_100000174948_100000766640 [0,2,0,0,0,0|2,0,0]=4 18882 B14R1.32 CCCC(C)NCc1cccc(c1)I 207a_100000741246_100000014684 [0,2,0,0,0,0|2,0,0]=4 18883 B14R1.32 CCCC(C)NCc1cccc(c1)I 2230a_100000106179_100000766640 [0,2,0,0,0,0|2,0,0]=4 18884 B14R1.32 CCCC(C)NCc1cccc(c1)I 2230a_100000741246_100011218688 [0,2,0,0,0,0|2,0,0]=4 18885 B14R1.32 CCCC(C)NCc1cccc(c1)I 270004a_100000106179_100000211909 [0,2,0,0,0,0|2,0,0]=4 18886 B14R1.32 CCCC(C)NCc1cccc(c1)I 270004a_100000741246_100000014684 [0,2,0,0,0,0|2,0,0]=4 18887 B14R1.32 CCCC(C)NCc1cccc(c1)I 34a_100000106179_100000766640 [0,2,0,0,0,0|2,0,0]=4 18888 B14R1.32 CCCC(C)NCc1cccc(c1)O 207a_100000741246_100000188321 [0,2,0,0,0,0|2,0,0]=4 18889 B14R1.32 CCCC(C)NCc1cccc(c1)O 2230a_100000741246_100011660834 [0,2,0,0,0,0|2,0,0]=4 18890 B14R1.32 CCCC(C)NCc1cccc(c1)O 2230a_100000743036_100000766640 [0,2,0,0,0,0|2,0,0]=4 18891 B14R1.32 CCCC(C)NCc1cccc(c1)O 270004a_100000741246_100000188321 [0,2,0,0,0,0|2,0,0]=4 18892 B14R1.32 CCCC(C)NCc1cccc(c1)O 270004a_100000743036_100000211909 [0,2,0,0,0,0|2,0,0]=4 18893 B14R1.32 CCCC(C)NCc1cccc(c1)O 34a_100000743036_100000766640 [0,2,0,0,0,0|2,0,0]=4 18894 B14R1.32 CCCC(C)OCc1cccc(c1)Br 34a_100000687537_100000766640 [0,2,0,0,0,0|2,0,0]=4 18895 B14R1.32 CCCC(C)OCc1cccc(c1)Br 34a_100000764384_100000698116 [0,2,0,0,0,0|2,0,0]=4 18896 B14R1.32 CCCC(C)OCc1cccc(c1)Br 7a_100000687537_100000766640 [0,2,0,0,0,0|2,0,0]=4 18897 B14R1.32 CCCC(C)OCc1cccc(c1)Br 7a_100000764384_100000211773 [0,2,0,0,0,0|2,0,0]=4 18898 B14R1.32 CCCC(C)OCc1cccc(c1)C 34a_100000764384_100000211840 [0,2,0,0,0,0|2,0,0]=4 18899 B14R1.32 CCCC(C)OCc1cccc(c1)C 34a_100011217746_100000766640 [0,2,0,0,0,0|2,0,0]=4 18900 B14R1.32 CCCC(C)OCc1cccc(c1)C 7a_100000764384_100000211840 [0,2,0,0,0,0|2,0,0]=4 18901 B14R1.32 CCCC(C)OCc1cccc(c1)C 7a_100011217746_100000766640 [0,2,0,0,0,0|2,0,0]=4 18902 B14R1.32 CCCC(C)OCc1cccc(c1)Cl 34a_100000241301_100000766640 [0,2,0,0,0,0|2,0,0]=4 18903 B14R1.32 CCCC(C)OCc1cccc(c1)Cl 34a_100000764384_100000187163 [0,2,0,0,0,0|2,0,0]=4 18904 B14R1.32 CCCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000766640 [0,2,0,0,0,0|2,0,0]=4 18905 B14R1.32 CCCC(C)OCc1cccc(c1)Cl 7a_100000764384_100000187163 [0,2,0,0,0,0|2,0,0]=4 18906 B14R1.32 CCCC(C)OCc1cccc(c1)F 34a_100000210976_100000766640 [0,2,0,0,0,0|2,0,0]=4 18907 B14R1.32 CCCC(C)OCc1cccc(c1)F 34a_100000764384_100000187166 [0,2,0,0,0,0|2,0,0]=4 18908 B14R1.32 CCCC(C)OCc1cccc(c1)F 7a_100000210976_100000766640 [0,2,0,0,0,0|2,0,0]=4 18909 B14R1.32 CCCC(C)OCc1cccc(c1)F 7a_100000764384_100000230114 [0,2,0,0,0,0|2,0,0]=4 18910 B14R1.32 CCCC(C)OCc1cccc(c1)I 34a_100000764384_100011218688 [0,2,0,0,0,0|2,0,0]=4 18911 B14R1.32 CCCC(C)OCc1cccc(c1)I 34a_100011215336_100000766640 [0,2,0,0,0,0|2,0,0]=4 18912 B14R1.32 CCCC(C)OCc1cccc(c1)I 7a_100000764384_100011218688 [0,2,0,0,0,0|2,0,0]=4 18913 B14R1.32 CCCC(C)OCc1cccc(c1)I 7a_100011215336_100000766640 [0,2,0,0,0,0|2,0,0]=4 18914 B14R1.32 CCCC(C)OCc1cccc(c1)N 34a_100000211919_100000766640 [0,2,0,0,0,0|2,0,0]=4 18915 B14R1.32 CCCC(C)OCc1cccc(c1)O 34a_100000764384_100011660834 [0,2,0,0,0,0|2,0,0]=4 18916 B14R1.32 CCCC(C)OCc1cccc(c1)O 7a_100000764384_100000084143 [0,2,0,0,0,0|2,0,0]=4 18917 B14R1.32 CCCC(C)SCc1cccc(c1)Br 62a_100000211773_100000766640 [0,2,0,0,0,0|2,0,0]=4 18918 B14R1.32 CCCC(C)SCc1cccc(c1)Br 62a_100000766640_100000211773 [0,2,0,0,0,0|2,0,0]=4 18919 B14R1.32 CCCC(C)SCc1cccc(c1)C 62a_100000211840_100000766640 [0,2,0,0,0,0|2,0,0]=4 18920 B14R1.32 CCCC(C)SCc1cccc(c1)C 62a_100000766640_100000211840 [0,2,0,0,0,0|2,0,0]=4 18921 B14R1.32 CCCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000766640 [0,2,0,0,0,0|2,0,0]=4 18922 B14R1.32 CCCC(C)SCc1cccc(c1)Cl 62a_100000766640_100000187163 [0,2,0,0,0,0|2,0,0]=4 18923 B14R1.32 CCCC(C)SCc1cccc(c1)F 62a_100000230114_100000766640 [0,2,0,0,0,0|2,0,0]=4 18924 B14R1.32 CCCC(C)SCc1cccc(c1)F 62a_100000766640_100000230114 [0,2,0,0,0,0|2,0,0]=4 18925 B14R1.32 CCCC(C)SCc1cccc(c1)I 62a_100000766640_100011218688 [0,2,0,0,0,0|2,0,0]=4 18926 B14R1.32 CCCC(C)SCc1cccc(c1)I 62a_100011218688_100000766640 [0,2,0,0,0,0|2,0,0]=4 18927 B14R1.32 CCCC(C)SCc1cccc(c1)O 62a_100000766640_100011660834 [0,2,0,0,0,0|2,0,0]=4 18928 B14R1.32 CCCC(C)SCc1cccc(c1)O 62a_100011660834_100000766640 [0,2,0,0,0,0|2,0,0]=4 18929 B14R1.32 CCCN(C)CCc1cccc(c1)Br 2230a_100000747261_100011740638 [0,2,0,0,0,0|2,0,0]=4 18930 B14R1.32 CCCN(C)CCc1cccc(c1)Br 269982a_100000747261_100011740638 [0,2,0,0,0,0|2,0,0]=4 18931 B14R1.32 CCCN(C)CCc1cccc(c1)C 2230a_100000747261_100011713685 [0,2,0,0,0,0|2,0,0]=4 18932 B14R1.32 CCCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210303 [0,2,0,0,0,0|2,0,0]=4 18933 B14R1.32 CCCN(C)CCc1cccc(c1)C 269982a_100000747261_100011713685 [0,2,0,0,0,0|2,0,0]=4 18934 B14R1.32 CCCN(C)CCc1cccc(c1)C 269982a_114849113767_100000210303 [0,2,0,0,0,0|2,0,0]=4 18935 B14R1.32 CCCN(C)CCc1cccc(c1)C 34a_114849113767_100000210303 [0,2,0,0,0,0|2,0,0]=4 18936 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 2230a_100000747261_100011713710 [0,2,0,0,0,0|2,0,0]=4 18937 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210303 [0,2,0,0,0,0|2,0,0]=4 18938 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 269982a_100000747261_100011713710 [0,2,0,0,0,0|2,0,0]=4 18939 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000210303 [0,2,0,0,0,0|2,0,0]=4 18940 B14R1.32 CCCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210303 [0,2,0,0,0,0|2,0,0]=4 18941 B14R1.32 CCCN(C)CCc1cccc(c1)F 2230a_100000747261_100011217235 [0,2,0,0,0,0|2,0,0]=4 18942 B14R1.32 CCCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210303 [0,2,0,0,0,0|2,0,0]=4 18943 B14R1.32 CCCN(C)CCc1cccc(c1)F 269982a_100000747261_100011217235 [0,2,0,0,0,0|2,0,0]=4 18944 B14R1.32 CCCN(C)CCc1cccc(c1)F 269982a_106726388868_100000210303 [0,2,0,0,0,0|2,0,0]=4 18945 B14R1.32 CCCN(C)CCc1cccc(c1)F 34a_106726388868_100000210303 [0,2,0,0,0,0|2,0,0]=4 18946 B14R1.32 CCNC(C)CCc1cccc(c1)Br 270004a_100015525214_100011279149 [0,2,0,0,0,0|2,0,0]=4 18947 B14R1.32 CCNC(C)CCc1cccc(c1)F 270004a_100015525214_100000743863 [0,2,0,0,0,0|2,0,0]=4 18948 B14R1.32 CN(CCF)CCc1cccc(c1)Cl 2230a_106726388433_100011217306 [0,2,0,0,0,0|2,0,0]=4 18949 B14R1.32 CN(CCF)CCc1cccc(c1)Cl 269982a_106726388433_100011217306 [0,2,0,0,0,0|2,0,0]=4 18950 B14R1.32 CN(CCF)CCc1cccc(c1)Cl 34a_106726388433_100011217306 [0,2,0,0,0,0|2,0,0]=4 18951 B14R1.32 CN(CCF)CCc1cccc(c1)F 2230a_106726388868_100011217306 [0,2,0,0,0,0|2,0,0]=4 18952 B14R1.32 CN(CCF)CCc1cccc(c1)F 269982a_106726388868_100011217306 [0,2,0,0,0,0|2,0,0]=4 18953 B14R1.32 CN(CCF)CCc1cccc(c1)F 34a_106726388868_100011217306 [0,2,0,0,0,0|2,0,0]=4 18954 B14R1.32 CN(CCO)CCc1cccc(c1)Br 2230a_100000210263_100011740638 [0,2,0,0,0,0|1,0,0]=3 18955 B14R1.32 CN(CCO)CCc1cccc(c1)Br 269982a_100000210263_100011740638 [0,2,0,0,0,0|1,0,0]=3 18956 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 2230a_100000210263_100011713710 [0,2,0,0,0,0|1,0,0]=3 18957 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 2230a_106726388433_100000211926 [0,2,0,0,0,0|1,0,0]=3 18958 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 269982a_100000210263_100011713710 [0,2,0,0,0,0|1,0,0]=3 18959 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 269982a_106726388433_100000211926 [0,2,0,0,0,0|1,0,0]=3 18960 B14R1.32 CN(CCO)CCc1cccc(c1)Cl 34a_106726388433_100000211926 [0,2,0,0,0,0|1,0,0]=3 18961 B14R1.32 CN(CCO)CCc1cccc(c1)F 2230a_100000210263_100011217235 [0,2,0,0,0,0|1,0,0]=3 18962 B14R1.32 CN(CCO)CCc1cccc(c1)F 2230a_106726388868_100000211926 [0,2,0,0,0,0|1,0,0]=3 18963 B14R1.32 CN(CCO)CCc1cccc(c1)F 269982a_100000210263_100011217235 [0,2,0,0,0,0|1,0,0]=3 18964 B14R1.32 CN(CCO)CCc1cccc(c1)F 269982a_106726388868_100000211926 [0,2,0,0,0,0|1,0,0]=3 18965 B14R1.32 CN(CCO)CCc1cccc(c1)F 34a_106726388868_100000211926 [0,2,0,0,0,0|1,0,0]=3 18966 B14R1.32 C[C@H](CCO)NCc1cc(ccn1)Br 2230a_100000706166_100010173614 [0,2,0,0,0,0|2,0,0]=4 18967 B14R1.32 C[C@H](CCO)NCc1cc(ccn1)Br 270004a_100000706166_100009818557 [0,2,0,0,0,0|2,0,0]=4 18968 B14R1.32 C[C@H](CCO)NCc1cc(ccn1)Br 34a_100000706166_100010173614 [0,2,0,0,0,0|2,0,0]=4 18969 B14R1.32 C[C@H](CCO)NCc1cc(ccn1)Cl 2230a_100000706166_100016988179 [0,2,0,0,0,0|2,0,0]=4 18970 B14R1.32 C[C@H](CCO)NCc1cc(ccn1)Cl 270004a_100000706166_100011998288 [0,2,0,0,0,0|2,0,0]=4 18971 B14R1.32 C[C@H](CCO)NCc1cc(ccn1)Cl 34a_100000706166_100016988179 [0,2,0,0,0,0|2,0,0]=4 18972 B14R1.32 C[C@H](CCO)NCc1cccc(=O)[nH]1 207a_100000706166_100011935257 [0,2,0,0,0,0|2,0,0]=4 18973 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Br 207a_100000706166_100000210085 [0,2,0,0,0,0|1,0,0]=3 18974 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Br 2230a_100000706166_100000698116 [0,2,0,0,0,0|1,0,0]=3 18975 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Br 270004a_100000706166_100000210085 [0,2,0,0,0,0|1,0,0]=3 18976 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Br 34a_100000706166_100000698116 [0,2,0,0,0,0|1,0,0]=3 18977 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Cl 207a_100000706166_100000210801 [0,2,0,0,0,0|1,0,0]=3 18978 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Cl 2230a_100000706166_100000181238 [0,2,0,0,0,0|1,0,0]=3 18979 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Cl 270004a_100000706166_100000210801 [0,2,0,0,0,0|1,0,0]=3 18980 B14R1.32 C[C@H](CCO)NCc1cccc(c1)Cl 34a_100000706166_100000187163 [0,2,0,0,0,0|1,0,0]=3 18981 B14R1.32 C[C@H](CCO)NCc1cccc(c1)F 207a_100000706166_100000210812 [0,2,0,0,0,0|1,0,0]=3 18982 B14R1.32 C[C@H](CCO)NCc1cccc(c1)F 2230a_100000706166_100000230114 [0,2,0,0,0,0|1,0,0]=3 18983 B14R1.32 C[C@H](CCO)NCc1cccc(c1)F 270004a_100000706166_100000210812 [0,2,0,0,0,0|1,0,0]=3 18984 B14R1.32 C[C@H](CCO)NCc1cccc(c1)F 34a_100000706166_100000187166 [0,2,0,0,0,0|1,0,0]=3 18985 B14R1.32 C[C@H](CCO)NCc1cccc(c1)I 207a_100000706166_100000014684 [0,2,0,0,0,0|1,0,0]=3 18986 B14R1.32 C[C@H](CCO)NCc1cccc(c1)I 2230a_100000706166_100011218688 [0,2,0,0,0,0|1,0,0]=3 18987 B14R1.32 C[C@H](CCO)NCc1cccc(c1)I 270004a_100000706166_100000014684 [0,2,0,0,0,0|1,0,0]=3 18988 B14R1.32 C[C@H](CCO)NCc1cccc(c1)I 34a_100000706166_100011218688 [0,2,0,0,0,0|1,0,0]=3 18989 B14R1.32 C[C@H](CCO)NCc1cccc(c1)O 207a_100000706166_100000188321 [0,2,0,0,0,0|1,0,0]=3 18990 B14R1.32 C[C@H](CCO)NCc1cccc(c1)O 2230a_100000706166_100011660834 [0,2,0,0,0,0|1,0,0]=3 18991 B14R1.32 C[C@H](CCO)NCc1cccc(c1)O 270004a_100000706166_100000188321 [0,2,0,0,0,0|1,0,0]=3 18992 B14R1.32 C[C@H](CCO)NCc1cccc(c1)O 34a_100000706166_100011660834 [0,2,0,0,0,0|1,0,0]=3 18993 B14R1.32 C[C@H](CCO)NCc1cccc(n1)Br 2230a_100000706166_100009889011 [0,2,0,0,0,0|2,0,0]=4 18994 B14R1.32 C[C@H](CCO)NCc1cccc(n1)Br 270004a_100000706166_100000688028 [0,2,0,0,0,0|2,0,0]=4 18995 B14R1.32 C[C@H](CCO)NCc1cccc(n1)Br 34a_100000706166_100009889011 [0,2,0,0,0,0|2,0,0]=4 18996 B14R1.32 C[C@H](CCO)NCc1cccc(n1)Cl 2230a_100000706166_100000086093 [0,2,0,0,0,0|2,0,0]=4 18997 B14R1.32 C[C@H](CCO)NCc1cccc(n1)Cl 270004a_100000706166_100011361687 [0,2,0,0,0,0|2,0,0]=4 18998 B14R1.32 C[C@H](CCO)NCc1cccc(n1)Cl 34a_100000706166_100000086093 [0,2,0,0,0,0|2,0,0]=4 18999 B14R1.32 C[C@H](CCO)NCc1cccc(n1)F 2230a_100000706166_100009819644 [0,2,0,0,0,0|2,0,0]=4 19000 B14R1.32 C[C@H](CCO)NCc1cccc(n1)F 270004a_100000706166_100000050434 [0,2,0,0,0,0|2,0,0]=4 19001 B14R1.32 C[C@H](CCO)NCc1cccc(n1)F 34a_100000706166_100009819644 [0,2,0,0,0,0|2,0,0]=4 19002 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)Br 2230a_100000706166_100010243470 [0,2,0,0,0,0|2,0,0]=4 19003 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)Br 270004a_100000706166_100009814634 [0,2,0,0,0,0|2,0,0]=4 19004 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)Br 34a_100000706166_100010243470 [0,2,0,0,0,0|2,0,0]=4 19005 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)Cl 2230a_100000706166_100000764220 [0,2,0,0,0,0|2,0,0]=4 19006 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)Cl 270004a_100000706166_100011290808 [0,2,0,0,0,0|2,0,0]=4 19007 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)Cl 34a_100000706166_100000764220 [0,2,0,0,0,0|2,0,0]=4 19008 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)F 270004a_100000706166_100000068331 [0,2,0,0,0,0|2,0,0]=4 19009 B14R1.32 C[C@H](CCO)NCc1ccnc(c1)O 207a_100000706166_100000688113 [0,2,0,0,0,0|2,0,0]=4 19010 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Br 207a_100000706166_100000687066 [0,2,0,0,0,0|2,0,0]=4 19011 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Br 2230a_100000706166_100000738771 [0,2,0,0,0,0|2,0,0]=4 19012 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Br 270004a_100000706166_100000687066 [0,2,0,0,0,0|2,0,0]=4 19013 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Br 34a_100000706166_100000738771 [0,2,0,0,0,0|2,0,0]=4 19014 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Cl 207a_100000706166_100000088910 [0,2,0,0,0,0|2,0,0]=4 19015 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Cl 2230a_100000706166_100016992070 [0,2,0,0,0,0|2,0,0]=4 19016 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Cl 270004a_100000706166_100000088910 [0,2,0,0,0,0|2,0,0]=4 19017 B14R1.32 C[C@H](CCO)NCc1cncc(c1)Cl 34a_100000706166_100016992070 [0,2,0,0,0,0|2,0,0]=4 19018 B14R1.32 C[C@H](CCO)NCc1cncc(c1)F 207a_100000706166_100011361476 [0,2,0,0,0,0|2,0,0]=4 19019 B14R1.32 C[C@H](CCO)NCc1cncc(c1)F 2230a_100000706166_100000725299 [0,2,0,0,0,0|2,0,0]=4 19020 B14R1.32 C[C@H](CCO)NCc1cncc(c1)F 270004a_100000706166_100011361476 [0,2,0,0,0,0|2,0,0]=4 19021 B14R1.32 C[C@H](CCO)NCc1cncc(c1)F 34a_100000706166_100000725299 [0,2,0,0,0,0|2,0,0]=4 19022 B14R1.32 C[C@H](CCO)NCc1cncc(c1)O 207a_100000706166_100012187055 [0,2,0,0,0,0|2,0,0]=4 19023 B14R1.32 C[C@H](CCO)NCc1cncc(c1)O 270004a_100000706166_100012187055 [0,2,0,0,0,0|2,0,0]=4 19024 B14R1.32 Cc1cc(ccn1)CNC(C)CCO 34a_100011934566_100009893172 [0,2,0,0,0,0|2,0,0]=4 19025 B14R1.32 Cc1cc(ccn1)CN[C@H](C)CCO 207a_100000706166_100011361630 [0,2,0,0,0,0|2,0,0]=4 19026 B14R1.32 Cc1cc(ccn1)CN[C@H](C)CCO 2230a_100000706166_200020672517 [0,2,0,0,0,0|2,0,0]=4 19027 B14R1.32 Cc1cc(ccn1)CN[C@H](C)CCO 270004a_100000706166_100011361630 [0,2,0,0,0,0|2,0,0]=4 19028 B14R1.32 Cc1cc(ccn1)CN[C@H](C)CCO 34a_100000706166_200020672517 [0,2,0,0,0,0|2,0,0]=4 19029 B14R1.32 Cc1cc(ccn1)COC(C)CCO 34a_100011998630_100009893172 [0,2,0,0,0,0|2,0,0]=4 19030 B14R1.32 Cc1cc(ccn1)CSC(C)CCO 62a_100009893172_200020672517 [0,2,0,0,0,0|2,0,0]=4 19031 B14R1.32 Cc1cc(ccn1)CSC(C)CCO 62a_200020672517_100009893172 [0,2,0,0,0,0|2,0,0]=4 19032 B14R1.32 Cc1cccc(c1)CCC(=O)CCF 1458a_100000234952_100011217306 [0,2,0,0,0,0|1,0,1]=4 19033 B14R1.32 Cc1cccc(c1)CCC(=O)CCO 1458a_100000234952_100000211926 [0,2,0,0,0,0|0,0,1]=3 19034 B14R1.32 Cc1cccc(c1)CCC(=O)CCO 1458a_100011216618_100011713685 [0,2,0,0,0,0|0,0,1]=3 19035 B14R1.32 Cc1cccc(c1)CCN(C)CCF 2230a_114849113767_100011217306 [0,2,0,0,0,0|2,0,0]=4 19036 B14R1.32 Cc1cccc(c1)CCN(C)CCF 269982a_114849113767_100011217306 [0,2,0,0,0,0|2,0,0]=4 19037 B14R1.32 Cc1cccc(c1)CCN(C)CCF 34a_114849113767_100011217306 [0,2,0,0,0,0|2,0,0]=4 19038 B14R1.32 Cc1cccc(c1)CCN(C)CCO 2230a_100000210263_100011713685 [0,2,0,0,0,0|1,0,0]=3 19039 B14R1.32 Cc1cccc(c1)CCN(C)CCO 2230a_114849113767_100000211926 [0,2,0,0,0,0|1,0,0]=3 19040 B14R1.32 Cc1cccc(c1)CCN(C)CCO 269982a_100000210263_100011713685 [0,2,0,0,0,0|1,0,0]=3 19041 B14R1.32 Cc1cccc(c1)CCN(C)CCO 269982a_114849113767_100000211926 [0,2,0,0,0,0|1,0,0]=3 19042 B14R1.32 Cc1cccc(c1)CCN(C)CCO 34a_114849113767_100000211926 [0,2,0,0,0,0|1,0,0]=3 19043 B14R1.32 Cc1cccc(c1)CNC(=O)CCO 240690a_100000185548_100011216618 [0,2,0,0,0,0|1,0,1]=4 19044 B14R1.32 Cc1cccc(c1)CNC(C)CCO 2230a_100000185548_100009893172 [0,2,0,0,0,0|1,0,0]=3 19045 B14R1.32 Cc1cccc(c1)CNC(C)CCO 34a_100000185548_100009893172 [0,2,0,0,0,0|1,0,0]=3 19046 B14R1.32 Cc1cccc(c1)CN[C@H](C)CCO 207a_100000706166_100000211157 [0,2,0,0,0,0|1,0,0]=3 19047 B14R1.32 Cc1cccc(c1)CN[C@H](C)CCO 2230a_100000706166_100000211840 [0,2,0,0,0,0|1,0,0]=3 19048 B14R1.32 Cc1cccc(c1)CN[C@H](C)CCO 270004a_100000706166_100000211157 [0,2,0,0,0,0|1,0,0]=3 19049 B14R1.32 Cc1cccc(c1)CN[C@H](C)CCO 34a_100000706166_100000211840 [0,2,0,0,0,0|1,0,0]=3 19050 B14R1.32 Cc1cccc(c1)COC(C)CCBr 34a_100012276601_100000211840 [0,2,0,0,0,0|2,0,0]=4 19051 B14R1.32 Cc1cccc(c1)COC(C)CCO 34a_100011217746_100009893172 [0,2,0,0,0,0|1,0,0]=3 19052 B14R1.32 Cc1cccc(c1)COC(C)CCO 7a_100011217746_100009893172 [0,2,0,0,0,0|1,0,0]=3 19053 B14R1.32 Cc1cccc(c1)CSC(C)CCO 62a_100000211840_100009893172 [0,2,0,0,0,0|1,0,0]=3 19054 B14R1.32 Cc1cccc(c1)CSC(C)CCO 62a_100009893172_100000211840 [0,2,0,0,0,0|1,0,0]=3 19055 B14R1.32 Cc1cccc(c1)OCC(=O)CCO 1458a_100000183606_100000211926 [0,2,0,0,0,0|1,0,1]=4 19056 B14R1.32 Cc1cccc(n1)CNC(C)CCO 34a_100000701342_100009893172 [0,2,0,0,0,0|2,0,0]=4 19057 B14R1.32 Cc1cccc(n1)CN[C@H](C)CCO 207a_100000706166_100011215050 [0,2,0,0,0,0|2,0,0]=4 19058 B14R1.32 Cc1cccc(n1)CN[C@H](C)CCO 2230a_100000706166_100000757606 [0,2,0,0,0,0|2,0,0]=4 19059 B14R1.32 Cc1cccc(n1)CN[C@H](C)CCO 270004a_100000706166_100011215050 [0,2,0,0,0,0|2,0,0]=4 19060 B14R1.32 Cc1cccc(n1)CN[C@H](C)CCO 34a_100000706166_100000757606 [0,2,0,0,0,0|2,0,0]=4 19061 B14R1.32 Cc1cccc(n1)COC(C)CCO 34a_100000690600_100009893172 [0,2,0,0,0,0|2,0,0]=4 19062 B14R1.32 Cc1cccc(n1)CSC(C)CCO 62a_100000757606_100009893172 [0,2,0,0,0,0|2,0,0]=4 19063 B14R1.32 Cc1cccc(n1)CSC(C)CCO 62a_100009893172_100000757606 [0,2,0,0,0,0|2,0,0]=4 19064 B14R1.32 Cc1ccnc(c1)CN[C@H](C)CCO 207a_100000706166_100011361488 [0,2,0,0,0,0|2,0,0]=4 19065 B14R1.32 Cc1ccnc(c1)CN[C@H](C)CCO 2230a_100000706166_100000718516 [0,2,0,0,0,0|2,0,0]=4 19066 B14R1.32 Cc1ccnc(c1)CN[C@H](C)CCO 270004a_100000706166_100011361488 [0,2,0,0,0,0|2,0,0]=4 19067 B14R1.32 Cc1ccnc(c1)CN[C@H](C)CCO 34a_100000706166_100000718516 [0,2,0,0,0,0|2,0,0]=4 19068 B14R1.32 Cc1ccnc(c1)COC(C)CCO 34a_100011998357_100009893172 [0,2,0,0,0,0|2,0,0]=4 19069 B14R1.32 Cc1ccnc(c1)CSC(C)CCO 62a_100000718516_100009893172 [0,2,0,0,0,0|2,0,0]=4 19070 B14R1.32 Cc1ccnc(c1)CSC(C)CCO 62a_100009893172_100000718516 [0,2,0,0,0,0|2,0,0]=4 19071 B14R1.32 Cc1cncc(c1)CNC(C)CCO 2230a_100000692839_100009893172 [0,2,0,0,0,0|2,0,0]=4 19072 B14R1.32 Cc1cncc(c1)CNC(C)CCO 34a_100000692839_100009893172 [0,2,0,0,0,0|2,0,0]=4 19073 B14R1.32 Cc1cncc(c1)CN[C@H](C)CCO 207a_100000706166_100011998712 [0,2,0,0,0,0|2,0,0]=4 19074 B14R1.32 Cc1cncc(c1)CN[C@H](C)CCO 2230a_100000706166_100000716715 [0,2,0,0,0,0|2,0,0]=4 19075 B14R1.32 Cc1cncc(c1)CN[C@H](C)CCO 270004a_100000706166_100011998712 [0,2,0,0,0,0|2,0,0]=4 19076 B14R1.32 Cc1cncc(c1)CN[C@H](C)CCO 34a_100000706166_100000716715 [0,2,0,0,0,0|2,0,0]=4 19077 B14R1.32 Cc1cncc(c1)COC(C)CCO 34a_100011998709_100009893172 [0,2,0,0,0,0|2,0,0]=4 19078 B14R1.32 Cc1cncc(c1)COC(C)CCO 7a_100011998709_100009893172 [0,2,0,0,0,0|2,0,0]=4 19079 B14R1.32 Cc1cncc(c1)CSC(C)CCO 62a_100000716715_100009893172 [0,2,0,0,0,0|2,0,0]=4 19080 B14R1.32 Cc1cncc(c1)CSC(C)CCO 62a_100009893172_100000716715 [0,2,0,0,0,0|2,0,0]=4 19081 B14R1.32 O=C(CCF)CCc1cccc(c1)Br 1458a_100000184314_100011217306 [0,2,0,0,0,0|1,0,1]=4 19082 B14R1.32 O=C(CCF)CCc1cccc(c1)Cl 1458a_100000235675_100011217306 [0,2,0,0,0,0|1,0,1]=4 19083 B14R1.32 O=C(CCF)CCc1cccc(c1)F 1458a_100000235673_100011217306 [0,2,0,0,0,0|1,0,1]=4 19084 B14R1.32 O=C(CCF)CCc1cccc(c1)I 1458a_100010007846_100011217306 [0,2,0,0,0,0|1,0,1]=4 19085 B14R1.32 O=C(CCF)CCc1cccc(c1)O 1458a_100011216126_100011217306 [0,2,0,0,0,0|1,0,1]=4 19086 B14R1.32 O=C(CCO)CCc1cccc(c1)Br 1458a_100000184314_100000211926 [0,2,0,0,0,0|0,0,1]=3 19087 B14R1.32 O=C(CCO)CCc1cccc(c1)Br 1458a_100011216618_100011740638 [0,2,0,0,0,0|0,0,1]=3 19088 B14R1.32 O=C(CCO)CCc1cccc(c1)Cl 1458a_100000235675_100000211926 [0,2,0,0,0,0|0,0,1]=3 19089 B14R1.32 O=C(CCO)CCc1cccc(c1)Cl 1458a_100011216618_100011713710 [0,2,0,0,0,0|0,0,1]=3 19090 B14R1.32 O=C(CCO)CCc1cccc(c1)F 1458a_100000235673_100000211926 [0,2,0,0,0,0|0,0,1]=3 19091 B14R1.32 O=C(CCO)CCc1cccc(c1)F 1458a_100011216618_100011217235 [0,2,0,0,0,0|0,0,1]=3 19092 B14R1.32 O=C(CCO)CCc1cccc(c1)I 1458a_100010007846_100000211926 [0,2,0,0,0,0|0,0,1]=3 19093 B14R1.32 O=C(CCO)CCc1cccc(c1)O 1458a_100011216126_100000211926 [0,2,0,0,0,0|0,0,1]=3 19094 B14R1.32 O=C(CCO)COc1cccc(c1)Br 1458a_100000182359_100000211926 [0,2,0,0,0,0|1,0,1]=4 19095 B14R1.32 O=C(CCO)COc1cccc(c1)Cl 1458a_100000184978_100000211926 [0,2,0,0,0,0|1,0,1]=4 19096 B14R1.32 O=C(CCO)COc1cccc(c1)F 1458a_100000182781_100000211926 [0,2,0,0,0,0|1,0,1]=4 19097 B14R1.32 O=C(CCO)CSc1cccc(c1)Br 1458a_100000760868_100000211926 [0,2,0,0,0,0|1,0,1]=4 19098 B14R1.32 O=C(CCO)NCc1cccc(c1)Br 240690a_100000174977_100011216618 [0,2,0,0,0,0|1,0,1]=4 19099 B14R1.32 O=C(CCO)NCc1cccc(c1)Cl 240690a_100000174878_100011216618 [0,2,0,0,0,0|1,0,1]=4 19100 B14R1.32 O=C(CCO)NCc1cccc(c1)F 240690a_100000174948_100011216618 [0,2,0,0,0,0|1,0,1]=4 19101 B14R1.32 O=C(CCO)NCc1cccc(c1)I 240690a_100000106179_100011216618 [0,2,0,0,0,0|1,0,1]=4 19102 B14R1.32 O=C(CCO)NCc1cccc(c1)O 240690a_100000743036_100011216618 [0,2,0,0,0,0|1,0,1]=4 19103 B14R1.34 CC(Cc1cccc(c1)Br)NCCO 270004a_100000210304_100000689217 [0,2,0,0,0,0|1,0,0]=3 19104 B14R1.34 CC(Cc1cccc(c1)Cl)NCCO 270004a_100000210304_100000727212 [0,2,0,0,0,0|1,0,0]=3 19105 B14R1.34 CC(Cc1cccc(c1)F)NCCO 270004a_100000210304_100000687711 [0,2,0,0,0,0|1,0,0]=3 19106 B14R1.34 CCCCC(=O)Cc1cccc(c1)Br 1458a_100000210183_100000211773 [0,2,0,0,0,0|1,0,1]=4 19107 B14R1.34 CCCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210211 [0,2,0,0,0,0|1,0,1]=4 19108 B14R1.34 CCCCC(=O)Cc1cccc(c1)C 1458a_100000210183_100000211840 [0,2,0,0,0,0|1,0,1]=4 19109 B14R1.34 CCCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210211 [0,2,0,0,0,0|1,0,1]=4 19110 B14R1.34 CCCCC(=O)Cc1cccc(c1)Cl 1458a_100000210183_100000181238 [0,2,0,0,0,0|1,0,1]=4 19111 B14R1.34 CCCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210211 [0,2,0,0,0,0|1,0,1]=4 19112 B14R1.34 CCCCC(=O)Cc1cccc(c1)F 1458a_100000210183_100000230114 [0,2,0,0,0,0|1,0,1]=4 19113 B14R1.34 CCCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210211 [0,2,0,0,0,0|1,0,1]=4 19114 B14R1.34 CCCCC(=O)Cc1cccc(c1)I 1458a_100000210183_100011218688 [0,2,0,0,0,0|1,0,1]=4 19115 B14R1.34 CCCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210211 [0,2,0,0,0,0|1,0,1]=4 19116 B14R1.34 CCCCC(=O)Cc1cccc(c1)O 1458a_100000210183_100011660834 [0,2,0,0,0,0|1,0,1]=4 19117 B14R1.34 CCCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210211 [0,2,0,0,0,0|1,0,1]=4 19118 B14R1.34 CCCCC(C)Nc1cccc(c1)Br 34a_100000210019_200011215066 [0,2,0,0,0,0|2,0,0]=4 19119 B14R1.34 CCCCC(C)Nc1cccc(c1)C 2230a_100000188690_200011215066 [0,2,0,0,0,0|2,0,0]=4 19120 B14R1.34 CCCCC(C)Nc1cccc(c1)C 34a_100000188690_200011215066 [0,2,0,0,0,0|2,0,0]=4 19121 B14R1.34 CCCCC(C)Nc1cccc(c1)Cl 34a_100000185859_200011215066 [0,2,0,0,0,0|2,0,0]=4 19122 B14R1.34 CCCCC(C)Nc1cccc(c1)F 34a_100000210047_200011215066 [0,2,0,0,0,0|2,0,0]=4 19123 B14R1.34 CCCCC(C)Nc1cccc(c1)I 34a_100000211102_200011215066 [0,2,0,0,0,0|2,0,0]=4 19124 B14R1.34 CCCCC(C)Nc1cccc(c1)O 34a_100000210217_200011215066 [0,2,0,0,0,0|2,0,0]=4 19125 B14R1.34 CCCCC(C)Oc1cccc(c1)Br 34a_100000210342_200011215066 [0,2,0,0,0,0|2,0,0]=4 19126 B14R1.34 CCCCC(C)Oc1cccc(c1)Br 7a_100000210342_200011215066 [0,2,0,0,0,0|2,0,0]=4 19127 B14R1.34 CCCCC(C)Oc1cccc(c1)C 34a_100000210337_200011215066 [0,2,0,0,0,0|2,0,0]=4 19128 B14R1.34 CCCCC(C)Oc1cccc(c1)C 7a_100000210337_200011215066 [0,2,0,0,0,0|2,0,0]=4 19129 B14R1.34 CCCCC(C)Oc1cccc(c1)Cl 34a_100000210295_200011215066 [0,2,0,0,0,0|2,0,0]=4 19130 B14R1.34 CCCCC(C)Oc1cccc(c1)Cl 7a_100000210295_200011215066 [0,2,0,0,0,0|2,0,0]=4 19131 B14R1.34 CCCCC(C)Oc1cccc(c1)F 34a_100000210426_200011215066 [0,2,0,0,0,0|2,0,0]=4 19132 B14R1.34 CCCCC(C)Oc1cccc(c1)F 7a_100000210426_200011215066 [0,2,0,0,0,0|2,0,0]=4 19133 B14R1.34 CCCCC(C)Oc1cccc(c1)I 34a_100000211634_200011215066 [0,2,0,0,0,0|2,0,0]=4 19134 B14R1.34 CCCCC(C)Oc1cccc(c1)I 7a_100000211634_200011215066 [0,2,0,0,0,0|2,0,0]=4 19135 B14R1.34 CCCCC(C)Oc1cccc(c1)N 34a_100000210217_200011215066 [0,2,0,0,0,0|2,0,0]=4 19136 B14R1.34 CCCCC(C)Sc1cccc(c1)Br 62a_100000691529_200011215066 [0,2,0,0,0,0|2,0,0]=4 19137 B14R1.34 CCCCC(C)Sc1cccc(c1)Br 62a_200011215066_100000691529 [0,2,0,0,0,0|2,0,0]=4 19138 B14R1.34 CCCCC(C)Sc1cccc(c1)C 62a_100011215228_200011215066 [0,2,0,0,0,0|2,0,0]=4 19139 B14R1.34 CCCCC(C)Sc1cccc(c1)C 62a_200011215066_100011215228 [0,2,0,0,0,0|2,0,0]=4 19140 B14R1.34 CCCCC(C)Sc1cccc(c1)Cl 62a_100000699651_200011215066 [0,2,0,0,0,0|2,0,0]=4 19141 B14R1.34 CCCCC(C)Sc1cccc(c1)Cl 62a_200011215066_100000699651 [0,2,0,0,0,0|2,0,0]=4 19142 B14R1.34 CCCCC(C)Sc1cccc(c1)F 62a_100000685547_200011215066 [0,2,0,0,0,0|2,0,0]=4 19143 B14R1.34 CCCCC(C)Sc1cccc(c1)F 62a_200011215066_100000685547 [0,2,0,0,0,0|2,0,0]=4 19144 B14R1.34 CCCCC(C)Sc1cccc(c1)N 62a_100000210019_200011215066 [0,2,0,0,0,0|2,0,0]=4 19145 B14R1.34 CCCCC(C)Sc1cccc(c1)N 62a_200011215066_100000210019 [0,2,0,0,0,0|2,0,0]=4 19146 B14R1.34 CCCCC(C)Sc1cccc(c1)O 62a_200011215066_100000211634 [0,2,0,0,0,0|2,0,0]=4 19147 B14R1.34 CCCCC(C)Sc1cccc(c1)[S] 62a_114929384022_200011215066 [0,2,0,0,0,0|2,0,0]=4 19148 B14R1.34 CCCCC(C)Sc1cccc(c1)[S] 62a_200011215066_114929384022 [0,2,0,0,0,0|2,0,0]=4 19149 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210211 [0,2,0,0,0,0|2,0,0]=4 19150 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 2230a_100000207549_100000698116 [0,2,0,0,0,0|2,0,0]=4 19151 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 2230a_100015186518_200000210301 [0,2,0,0,0,0|2,0,0]=4 19152 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210211 [0,2,0,0,0,0|2,0,0]=4 19153 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 269982a_100000207549_100000211773 [0,2,0,0,0,0|2,0,0]=4 19154 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 269982a_100015186518_200000210301 [0,2,0,0,0,0|2,0,0]=4 19155 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 26a_100000207549_100000210342 [0,2,0,0,0,0|2,0,0]=4 19156 B14R1.34 CCCCN(C)Cc1cccc(c1)Br 270004a_100000207549_100000210085 [0,2,0,0,0,0|2,0,0]=4 19157 B14R1.34 CCCCN(C)Cc1cccc(c1)C 2230a_100000207549_100000211840 [0,2,0,0,0,0|2,0,0]=4 19158 B14R1.34 CCCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210211 [0,2,0,0,0,0|2,0,0]=4 19159 B14R1.34 CCCCN(C)Cc1cccc(c1)C 269982a_100000207549_100000211840 [0,2,0,0,0,0|2,0,0]=4 19160 B14R1.34 CCCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210211 [0,2,0,0,0,0|2,0,0]=4 19161 B14R1.34 CCCCN(C)Cc1cccc(c1)C 270004a_100000207549_100000211157 [0,2,0,0,0,0|2,0,0]=4 19162 B14R1.34 CCCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210210 [0,2,0,0,0,0|2,0,0]=4 19163 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 2230a_100000207549_100000181238 [0,2,0,0,0,0|2,0,0]=4 19164 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210211 [0,2,0,0,0,0|2,0,0]=4 19165 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 2230a_200015183148_200000210301 [0,2,0,0,0,0|2,0,0]=4 19166 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 269982a_100000207549_100000181238 [0,2,0,0,0,0|2,0,0]=4 19167 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210211 [0,2,0,0,0,0|2,0,0]=4 19168 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 269982a_200015183148_200000210301 [0,2,0,0,0,0|2,0,0]=4 19169 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 270004a_100000207549_100000210801 [0,2,0,0,0,0|2,0,0]=4 19170 B14R1.34 CCCCN(C)Cc1cccc(c1)Cl 34a_200015183148_200000210301 [0,2,0,0,0,0|2,0,0]=4 19171 B14R1.34 CCCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210211 [0,2,0,0,0,0|2,0,0]=4 19172 B14R1.34 CCCCN(C)Cc1cccc(c1)F 2230a_100000207549_100000230114 [0,2,0,0,0,0|2,0,0]=4 19173 B14R1.34 CCCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210211 [0,2,0,0,0,0|2,0,0]=4 19174 B14R1.34 CCCCN(C)Cc1cccc(c1)F 269982a_100000207549_100000230114 [0,2,0,0,0,0|2,0,0]=4 19175 B14R1.34 CCCCN(C)Cc1cccc(c1)F 270004a_100000207549_100000210812 [0,2,0,0,0,0|2,0,0]=4 19176 B14R1.34 CCCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210210 [0,2,0,0,0,0|2,0,0]=4 19177 B14R1.34 CCCCN(C)Cc1cccc(c1)I 2230a_100000207549_100011218688 [0,2,0,0,0,0|2,0,0]=4 19178 B14R1.34 CCCCN(C)Cc1cccc(c1)I 269982a_100000207549_100011218688 [0,2,0,0,0,0|2,0,0]=4 19179 B14R1.34 CCCCN(C)Cc1cccc(c1)I 270004a_100000207549_100000014684 [0,2,0,0,0,0|2,0,0]=4 19180 B14R1.34 CCCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210211 [0,2,0,0,0,0|2,0,0]=4 19181 B14R1.34 CCCCN(C)Cc1cccc(c1)O 2230a_100000207549_100011660834 [0,2,0,0,0,0|2,0,0]=4 19182 B14R1.34 CCCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210211 [0,2,0,0,0,0|2,0,0]=4 19183 B14R1.34 CCCCN(C)Cc1cccc(c1)O 269982a_100000207549_100000084143 [0,2,0,0,0,0|2,0,0]=4 19184 B14R1.34 CCCCN(C)Cc1cccc(c1)O 270004a_100000207549_100000188321 [0,2,0,0,0,0|2,0,0]=4 19185 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Br 2230a_100015186518_200025704644 [0,2,0,0,0,0|2,0,0]=4 19186 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Br 269982a_100015186518_200025704644 [0,2,0,0,0,0|2,0,0]=4 19187 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Cl 2230a_200015183148_200025704644 [0,2,0,0,0,0|2,0,0]=4 19188 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Cl 269982a_200015183148_200025704644 [0,2,0,0,0,0|2,0,0]=4 19189 B14R1.34 CCCCN([13CH3])Cc1cccc(c1)Cl 34a_200015183148_200025704644 [0,2,0,0,0,0|2,0,0]=4 19190 B14R1.34 CCCNC(C)Cc1cccc(c1)Br 270004a_100020643023_100000689217 [0,2,0,0,0,0|2,0,0]=4 19191 B14R1.34 CCCNC(C)Cc1cccc(c1)Cl 270004a_100020643023_100000727212 [0,2,0,0,0,0|2,0,0]=4 19192 B14R1.34 CCCNC(C)Cc1cccc(c1)F 270004a_100020643023_100000687711 [0,2,0,0,0,0|2,0,0]=4 19193 B14R1.34 CCOCC(N)Cc1cccc(c1)Br 34a_114802770106_100000210202 [0,2,0,0,0,0|2,0,0]=4 19194 B14R1.34 CCOCC(N)Cc1cccc(c1)C 34a_100000716799_100000210202 [0,2,0,0,0,0|2,0,0]=4 19195 B14R1.34 CCOCC(N)Cc1cccc(c1)F 34a_200012000099_100000210202 [0,2,0,0,0,0|2,0,0]=4 19196 B14R1.34 CN(CCCF)Cc1cccc(c1)Br 2230a_100000187585_100011934791 [0,2,0,0,0,0|2,0,0]=4 19197 B14R1.34 CN(CCCF)Cc1cccc(c1)Br 269982a_100000187585_100011934791 [0,2,0,0,0,0|2,0,0]=4 19198 B14R1.34 CN(CCCF)Cc1cccc(c1)Cl 2230a_100020629429_100011934791 [0,2,0,0,0,0|2,0,0]=4 19199 B14R1.34 CN(CCCF)Cc1cccc(c1)Cl 269982a_100020629429_100011934791 [0,2,0,0,0,0|2,0,0]=4 19200 B14R1.34 CN(CCCF)Cc1cccc(c1)F 2230a_100000184398_100011934791 [0,2,0,0,0,0|2,0,0]=4 19201 B14R1.34 CN(CCCF)Cc1cccc(c1)F 269982a_100000184398_100011934791 [0,2,0,0,0,0|2,0,0]=4 19202 B14R1.34 CN(CCCF)Cc1cccc(c1)F 34a_100000184398_100011934791 [0,2,0,0,0,0|2,0,0]=4 19203 B14R1.34 CN(CCCF)Cc1cccc(c1)O 2230a_100000207540_100011934791 [0,2,0,0,0,0|2,0,0]=4 19204 B14R1.34 CN(CCCF)Cc1cccc(c1)O 269982a_100000207540_100011934791 [0,2,0,0,0,0|2,0,0]=4 19205 B14R1.34 CN(CCCO)Cc1cc(ccn1)Br 2230a_100000213112_100010173614 [0,2,0,0,0,0|2,0,0]=4 19206 B14R1.34 CN(CCCO)Cc1cc(ccn1)Br 269982a_100000213112_100010173614 [0,2,0,0,0,0|2,0,0]=4 19207 B14R1.34 CN(CCCO)Cc1cc(ccn1)Br 270004a_100000213112_100009818557 [0,2,0,0,0,0|2,0,0]=4 19208 B14R1.34 CN(CCCO)Cc1cc(ccn1)Cl 2230a_100000213112_100016988179 [0,2,0,0,0,0|2,0,0]=4 19209 B14R1.34 CN(CCCO)Cc1cc(ccn1)Cl 2230a_100102954512_100000230001 [0,2,0,0,0,0|2,0,0]=4 19210 B14R1.34 CN(CCCO)Cc1cc(ccn1)Cl 269982a_100000213112_100016988179 [0,2,0,0,0,0|2,0,0]=4 19211 B14R1.34 CN(CCCO)Cc1cc(ccn1)Cl 269982a_100102954512_100011215043 [0,2,0,0,0,0|2,0,0]=4 19212 B14R1.34 CN(CCCO)Cc1cc(ccn1)Cl 270004a_100000213112_100011998288 [0,2,0,0,0,0|2,0,0]=4 19213 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 2230a_100000187585_100000230001 [0,2,0,0,0,0|1,0,0]=3 19214 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 2230a_100000213112_100000698116 [0,2,0,0,0,0|1,0,0]=3 19215 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 269982a_100000187585_100011215043 [0,2,0,0,0,0|1,0,0]=3 19216 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 269982a_100000213112_100000211773 [0,2,0,0,0,0|1,0,0]=3 19217 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 26a_100000213112_100000210342 [0,2,0,0,0,0|1,0,0]=3 19218 B14R1.34 CN(CCCO)Cc1cccc(c1)Br 270004a_100000213112_100000210085 [0,2,0,0,0,0|1,0,0]=3 19219 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 2230a_100000213112_100000181238 [0,2,0,0,0,0|1,0,0]=3 19220 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 2230a_100020629429_100000230001 [0,2,0,0,0,0|1,0,0]=3 19221 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 269982a_100000213112_100000181238 [0,2,0,0,0,0|1,0,0]=3 19222 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 269982a_100020629429_100011215043 [0,2,0,0,0,0|1,0,0]=3 19223 B14R1.34 CN(CCCO)Cc1cccc(c1)Cl 270004a_100000213112_100000210801 [0,2,0,0,0,0|1,0,0]=3 19224 B14R1.34 CN(CCCO)Cc1cccc(c1)F 2230a_100000184398_100000230001 [0,2,0,0,0,0|1,0,0]=3 19225 B14R1.34 CN(CCCO)Cc1cccc(c1)F 2230a_100000213112_100000230114 [0,2,0,0,0,0|1,0,0]=3 19226 B14R1.34 CN(CCCO)Cc1cccc(c1)F 269982a_100000184398_100011215043 [0,2,0,0,0,0|1,0,0]=3 19227 B14R1.34 CN(CCCO)Cc1cccc(c1)F 269982a_100000213112_100000230114 [0,2,0,0,0,0|1,0,0]=3 19228 B14R1.34 CN(CCCO)Cc1cccc(c1)F 270004a_100000213112_100000210812 [0,2,0,0,0,0|1,0,0]=3 19229 B14R1.34 CN(CCCO)Cc1cccc(c1)F 34a_100000184398_100000230001 [0,2,0,0,0,0|1,0,0]=3 19230 B14R1.34 CN(CCCO)Cc1cccc(c1)I 2230a_100000213112_100011218688 [0,2,0,0,0,0|1,0,0]=3 19231 B14R1.34 CN(CCCO)Cc1cccc(c1)I 269982a_100000213112_100011218688 [0,2,0,0,0,0|1,0,0]=3 19232 B14R1.34 CN(CCCO)Cc1cccc(c1)I 270004a_100000213112_100000014684 [0,2,0,0,0,0|1,0,0]=3 19233 B14R1.34 CN(CCCO)Cc1cccc(c1)O 2230a_100000207540_100000230001 [0,2,0,0,0,0|1,0,0]=3 19234 B14R1.34 CN(CCCO)Cc1cccc(c1)O 2230a_100000213112_100011660834 [0,2,0,0,0,0|1,0,0]=3 19235 B14R1.34 CN(CCCO)Cc1cccc(c1)O 269982a_100000207540_100011215043 [0,2,0,0,0,0|1,0,0]=3 19236 B14R1.34 CN(CCCO)Cc1cccc(c1)O 269982a_100000213112_100000084143 [0,2,0,0,0,0|1,0,0]=3 19237 B14R1.34 CN(CCCO)Cc1cccc(c1)O 270004a_100000213112_100000188321 [0,2,0,0,0,0|1,0,0]=3 19238 B14R1.34 CN(CCCO)Cc1cccc(n1)Br 2230a_100000213112_100009889011 [0,2,0,0,0,0|2,0,0]=4 19239 B14R1.34 CN(CCCO)Cc1cccc(n1)Br 2230a_106354212997_100000230001 [0,2,0,0,0,0|2,0,0]=4 19240 B14R1.34 CN(CCCO)Cc1cccc(n1)Br 269982a_100000213112_100009889011 [0,2,0,0,0,0|2,0,0]=4 19241 B14R1.34 CN(CCCO)Cc1cccc(n1)Br 269982a_106354212997_100011215043 [0,2,0,0,0,0|2,0,0]=4 19242 B14R1.34 CN(CCCO)Cc1cccc(n1)Br 270004a_100000213112_100000688028 [0,2,0,0,0,0|2,0,0]=4 19243 B14R1.34 CN(CCCO)Cc1cccc(n1)Cl 2230a_100000213112_100000086093 [0,2,0,0,0,0|2,0,0]=4 19244 B14R1.34 CN(CCCO)Cc1cccc(n1)Cl 269982a_100000213112_100000086093 [0,2,0,0,0,0|2,0,0]=4 19245 B14R1.34 CN(CCCO)Cc1cccc(n1)Cl 270004a_100000213112_100011361687 [0,2,0,0,0,0|2,0,0]=4 19246 B14R1.34 CN(CCCO)Cc1cccc(n1)F 2230a_100000213112_100009819644 [0,2,0,0,0,0|2,0,0]=4 19247 B14R1.34 CN(CCCO)Cc1cccc(n1)F 269982a_100000213112_100009819644 [0,2,0,0,0,0|2,0,0]=4 19248 B14R1.34 CN(CCCO)Cc1cccc(n1)F 270004a_100000213112_100000050434 [0,2,0,0,0,0|2,0,0]=4 19249 B14R1.34 CN(CCCO)Cc1ccnc(c1)Br 2230a_100000213112_100010243470 [0,2,0,0,0,0|2,0,0]=4 19250 B14R1.34 CN(CCCO)Cc1ccnc(c1)Br 269982a_100000213112_100010254460 [0,2,0,0,0,0|2,0,0]=4 19251 B14R1.34 CN(CCCO)Cc1ccnc(c1)Br 270004a_100000213112_100009814634 [0,2,0,0,0,0|2,0,0]=4 19252 B14R1.34 CN(CCCO)Cc1ccnc(c1)Cl 2230a_100000213112_100000764220 [0,2,0,0,0,0|2,0,0]=4 19253 B14R1.34 CN(CCCO)Cc1ccnc(c1)Cl 269982a_100000213112_100000764220 [0,2,0,0,0,0|2,0,0]=4 19254 B14R1.34 CN(CCCO)Cc1ccnc(c1)Cl 270004a_100000213112_100011290808 [0,2,0,0,0,0|2,0,0]=4 19255 B14R1.34 CN(CCCO)Cc1ccnc(c1)F 270004a_100000213112_100000068331 [0,2,0,0,0,0|2,0,0]=4 19256 B14R1.34 CN(CCCO)Cc1cncc(c1)Br 2230a_100000213112_100000738771 [0,2,0,0,0,0|2,0,0]=4 19257 B14R1.34 CN(CCCO)Cc1cncc(c1)Br 2230a_103549770560_100000230001 [0,2,0,0,0,0|2,0,0]=4 19258 B14R1.34 CN(CCCO)Cc1cncc(c1)Br 269982a_100000213112_100000738771 [0,2,0,0,0,0|2,0,0]=4 19259 B14R1.34 CN(CCCO)Cc1cncc(c1)Br 269982a_103549770560_100011215043 [0,2,0,0,0,0|2,0,0]=4 19260 B14R1.34 CN(CCCO)Cc1cncc(c1)Br 270004a_100000213112_100000687066 [0,2,0,0,0,0|2,0,0]=4 19261 B14R1.34 CN(CCCO)Cc1cncc(c1)Cl 2230a_100000213112_100016992070 [0,2,0,0,0,0|2,0,0]=4 19262 B14R1.34 CN(CCCO)Cc1cncc(c1)Cl 269982a_100000213112_100016992070 [0,2,0,0,0,0|2,0,0]=4 19263 B14R1.34 CN(CCCO)Cc1cncc(c1)Cl 270004a_100000213112_100000088910 [0,2,0,0,0,0|2,0,0]=4 19264 B14R1.34 CN(CCCO)Cc1cncc(c1)F 2230a_100000213112_100000725299 [0,2,0,0,0,0|2,0,0]=4 19265 B14R1.34 CN(CCCO)Cc1cncc(c1)F 269982a_100000213112_100000725299 [0,2,0,0,0,0|2,0,0]=4 19266 B14R1.34 CN(CCCO)Cc1cncc(c1)F 270004a_100000213112_100011361476 [0,2,0,0,0,0|2,0,0]=4 19267 B14R1.34 CN(CCCO)Cc1cncc(c1)O 270004a_100000213112_100012187055 [0,2,0,0,0,0|2,0,0]=4 19268 B14R1.34 Cc1cc(ccn1)CN(C)CCCO 2230a_100000213112_200020672517 [0,2,0,0,0,0|2,0,0]=4 19269 B14R1.34 Cc1cc(ccn1)CN(C)CCCO 269982a_100000213112_200020672517 [0,2,0,0,0,0|2,0,0]=4 19270 B14R1.34 Cc1cc(ccn1)CN(C)CCCO 270004a_100000213112_100011361630 [0,2,0,0,0,0|2,0,0]=4 19271 B14R1.34 Cc1cccc(c1)CC(=O)CCCF 1458a_100011206899_100011934791 [0,2,0,0,0,0|1,0,1]=4 19272 B14R1.34 Cc1cccc(c1)CC(=O)CCCO 1458a_100011206899_100011215043 [0,2,0,0,0,0|0,0,1]=3 19273 B14R1.34 Cc1cccc(c1)CC(=O)NCCO 240690a_100000210304_100011206899 [0,2,0,0,0,0|1,0,1]=4 19274 B14R1.34 Cc1cccc(c1)CC(=O)NCCO 527a_100000210304_100011206899 [0,2,0,0,0,0|1,0,1]=4 19275 B14R1.34 Cc1cccc(c1)CC(N)COCF 34a_100000716799_100015361967 [0,2,0,0,0,0|2,0,0]=4 19276 B14R1.34 Cc1cccc(c1)CN(C)CCCF 2230a_102495364743_100011934791 [0,2,0,0,0,0|2,0,0]=4 19277 B14R1.34 Cc1cccc(c1)CN(C)CCCF 269982a_102495364743_100011934791 [0,2,0,0,0,0|2,0,0]=4 19278 B14R1.34 Cc1cccc(c1)CN(C)CCCF 34a_102495364743_100011934791 [0,2,0,0,0,0|2,0,0]=4 19279 B14R1.34 Cc1cccc(c1)CN(C)CCCO 2230a_100000213112_100000211840 [0,2,0,0,0,0|1,0,0]=3 19280 B14R1.34 Cc1cccc(c1)CN(C)CCCO 2230a_102495364743_100000230001 [0,2,0,0,0,0|1,0,0]=3 19281 B14R1.34 Cc1cccc(c1)CN(C)CCCO 269982a_100000213112_100000211840 [0,2,0,0,0,0|1,0,0]=3 19282 B14R1.34 Cc1cccc(c1)CN(C)CCCO 269982a_102495364743_100011215043 [0,2,0,0,0,0|1,0,0]=3 19283 B14R1.34 Cc1cccc(c1)CN(C)CCCO 270004a_100000213112_100000211157 [0,2,0,0,0,0|1,0,0]=3 19284 B14R1.34 Cc1cccc(c1)CN(C)CCCO 34a_102495364743_100000230001 [0,2,0,0,0,0|1,0,0]=3 19285 B14R1.34 Cc1cccc(n1)CC(=O)CCCO 1458a_100012001110_100011215043 [0,2,0,0,0,0|1,0,1]=4 19286 B14R1.34 Cc1cccc(n1)CC(C)OCCO 34a_200015421231_100000211926 [0,2,0,0,0,0|2,0,0]=4 19287 B14R1.34 Cc1cccc(n1)CN(C)CCCO 2230a_100000213112_100000757606 [0,2,0,0,0,0|2,0,0]=4 19288 B14R1.34 Cc1cccc(n1)CN(C)CCCO 2230a_100000687132_100000230001 [0,2,0,0,0,0|2,0,0]=4 19289 B14R1.34 Cc1cccc(n1)CN(C)CCCO 269982a_100000213112_100000757606 [0,2,0,0,0,0|2,0,0]=4 19290 B14R1.34 Cc1cccc(n1)CN(C)CCCO 269982a_100000687132_100011215043 [0,2,0,0,0,0|2,0,0]=4 19291 B14R1.34 Cc1cccc(n1)CN(C)CCCO 270004a_100000213112_100011215050 [0,2,0,0,0,0|2,0,0]=4 19292 B14R1.34 Cc1ccnc(c1)CC(C)NCCO 270004a_100000210304_200015184229 [0,2,0,0,0,0|2,0,0]=4 19293 B14R1.34 Cc1ccnc(c1)CN(C)CCCO 2230a_100000213112_100000718516 [0,2,0,0,0,0|2,0,0]=4 19294 B14R1.34 Cc1ccnc(c1)CN(C)CCCO 2230a_106354213154_100000230001 [0,2,0,0,0,0|2,0,0]=4 19295 B14R1.34 Cc1ccnc(c1)CN(C)CCCO 269982a_100000213112_100000718516 [0,2,0,0,0,0|2,0,0]=4 19296 B14R1.34 Cc1ccnc(c1)CN(C)CCCO 269982a_106354213154_100011215043 [0,2,0,0,0,0|2,0,0]=4 19297 B14R1.34 Cc1ccnc(c1)CN(C)CCCO 270004a_100000213112_100011361488 [0,2,0,0,0,0|2,0,0]=4 19298 B14R1.34 Cc1cncc(c1)CN(C)CCCO 2230a_100000213112_100000716715 [0,2,0,0,0,0|2,0,0]=4 19299 B14R1.34 Cc1cncc(c1)CN(C)CCCO 269982a_100000213112_100000716715 [0,2,0,0,0,0|2,0,0]=4 19300 B14R1.34 Cc1cncc(c1)CN(C)CCCO 270004a_100000213112_100011998712 [0,2,0,0,0,0|2,0,0]=4 19301 B14R1.34 NC(COCF)Cc1cccc(c1)Br 34a_114802770106_100015361967 [0,2,0,0,0,0|2,0,0]=4 19302 B14R1.34 NC(COCF)Cc1cccc(c1)F 34a_200012000099_100015361967 [0,2,0,0,0,0|2,0,0]=4 19303 B14R1.34 O=C(CCCF)Cc1cccc(c1)Br 1458a_100000747190_100011934791 [0,2,0,0,0,0|1,0,1]=4 19304 B14R1.34 O=C(CCCF)Cc1cccc(c1)Cl 1458a_100000749307_100011934791 [0,2,0,0,0,0|1,0,1]=4 19305 B14R1.34 O=C(CCCF)Cc1cccc(c1)F 1458a_100000211661_100011934791 [0,2,0,0,0,0|1,0,1]=4 19306 B14R1.34 O=C(CCCF)Cc1cccc(c1)I 1458a_100000238430_100011934791 [0,2,0,0,0,0|1,0,1]=4 19307 B14R1.34 O=C(CCCF)Cc1cccc(c1)O 1458a_100000745134_100011934791 [0,2,0,0,0,0|1,0,1]=4 19308 B14R1.34 O=C(CCCO)Cc1cccc(c1)Br 1458a_100000747190_100011215043 [0,2,0,0,0,0|0,0,1]=3 19309 B14R1.34 O=C(CCCO)Cc1cccc(c1)Cl 1458a_100000749307_100011215043 [0,2,0,0,0,0|0,0,1]=3 19310 B14R1.34 O=C(CCCO)Cc1cccc(c1)F 1458a_100000211661_100011215043 [0,2,0,0,0,0|0,0,1]=3 19311 B14R1.34 O=C(CCCO)Cc1cccc(c1)I 1458a_100000238430_100011215043 [0,2,0,0,0,0|0,0,1]=3 19312 B14R1.34 O=C(CCCO)Cc1cccc(c1)O 1458a_100000745134_100011215043 [0,2,0,0,0,0|0,0,1]=3 19313 B14R1.34 O=C(CCCO)Cc1cccc(n1)Br 1458a_100010201708_100011215043 [0,2,0,0,0,0|1,0,1]=4 19314 B14R1.34 O=C(CCCO)Cc1cccc(n1)Cl 1458a_100000090259_100011215043 [0,2,0,0,0,0|1,0,1]=4 19315 B14R1.34 O=C(CCCO)Cc1cccc(n1)F 1458a_100000096803_100011215043 [0,2,0,0,0,0|1,0,1]=4 19316 B14R1.34 O=C(CCCO)Cc1ccnc(c1)Br 1458a_100010126891_100011215043 [0,2,0,0,0,0|1,0,1]=4 19317 B14R1.34 O=C(CCCO)Cc1cncc(c1)Br 1458a_100000239331_100011215043 [0,2,0,0,0,0|1,0,1]=4 19318 B14R1.34 O=C(CCCO)Cc1cncc(c1)F 1458a_100011667516_100011215043 [0,2,0,0,0,0|1,0,1]=4 19319 B14R1.34 O=C(Cc1cccc(c1)Br)NCCO 240690a_100000210304_100000747190 [0,2,0,0,0,0|1,0,1]=4 19320 B14R1.34 O=C(Cc1cccc(c1)Br)NCCO 527a_100000210304_100000747190 [0,2,0,0,0,0|1,0,1]=4 19321 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000749307 [0,2,0,0,0,0|1,0,1]=4 19322 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCO 527a_100000210304_100000749307 [0,2,0,0,0,0|1,0,1]=4 19323 B14R1.34 O=C(Cc1cccc(c1)F)NCCO 240690a_100000210304_100000211661 [0,2,0,0,0,0|1,0,1]=4 19324 B14R1.34 O=C(Cc1cccc(c1)F)NCCO 527a_100000210304_100000211661 [0,2,0,0,0,0|1,0,1]=4 19325 B14R1.34 O=C(Cc1cccc(c1)I)NCCO 240690a_100000210304_100000238430 [0,2,0,0,0,0|1,0,1]=4 19326 B14R1.34 O=C(Cc1cccc(c1)I)NCCO 527a_100000210304_100000238430 [0,2,0,0,0,0|1,0,1]=4 19327 B14R1.34 O=C(Cc1cccc(c1)O)NCCO 240690a_100000210304_100000745134 [0,2,0,0,0,0|1,0,1]=4 19328 B14R1.34 O=C(Cc1cccc(c1)O)NCCO 527a_100000210304_100000745134 [0,2,0,0,0,0|1,0,1]=4 19329 B14R1.148 CC(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200000210301 [0,2,0,0,0,0|0,0,2]=4 19330 B14R1.148 CC(Br)CCOCc1cccc(c1)Br 34a_100009893172_100000698116 [0,2,0,0,0,0|2,0,0]=4 19331 B14R1.148 CC(Br)CCOCc1cccc(c1)Cl 34a_100009893172_100000187163 [0,2,0,0,0,0|2,0,0]=4 19332 B14R1.148 CC(Br)CCOCc1cccc(c1)F 34a_100009893172_100000187166 [0,2,0,0,0,0|2,0,0]=4 19333 B14R1.148 CC(Br)CCOCc1cccc(c1)I 34a_100009893172_100011218688 [0,2,0,0,0,0|2,0,0]=4 19334 B14R1.148 CC(Br)CCOCc1cccc(c1)O 34a_100009893172_100011660834 [0,2,0,0,0,0|2,0,0]=4 19335 B14R1.148 CC(Br)COCCc1cccc(c1)Br 34a_100012180447_100011740638 [0,2,0,0,0,0|2,0,0]=4 19336 B14R1.148 CC(Br)COCCc1cccc(c1)Cl 34a_100012180447_100011713710 [0,2,0,0,0,0|2,0,0]=4 19337 B14R1.148 CC(Br)COCCc1cccc(c1)F 34a_100012180447_100011217235 [0,2,0,0,0,0|2,0,0]=4 19338 B14R1.148 CC(C)CCCNc1cccc(c1)Br 34a_100000210019_100011214892 [0,2,0,0,0,0|2,0,0]=4 19339 B14R1.148 CC(C)CCCNc1cccc(c1)Cl 34a_100000185859_100011214892 [0,2,0,0,0,0|2,0,0]=4 19340 B14R1.148 CC(C)CCCNc1cccc(c1)F 34a_100000210047_100011214892 [0,2,0,0,0,0|2,0,0]=4 19341 B14R1.148 CC(C)CCCNc1cccc(c1)I 34a_100000211102_100011214892 [0,2,0,0,0,0|2,0,0]=4 19342 B14R1.148 CC(C)CCCNc1cccc(c1)O 34a_100000210217_100011214892 [0,2,0,0,0,0|2,0,0]=4 19343 B14R1.148 CC(C)CCCOc1cccc(c1)Br 34a_100000210342_100011214892 [0,2,0,0,0,0|2,0,0]=4 19344 B14R1.148 CC(C)CCCOc1cccc(c1)Br 7a_100000210342_100011214892 [0,2,0,0,0,0|2,0,0]=4 19345 B14R1.148 CC(C)CCCOc1cccc(c1)Cl 34a_100000210295_100011214892 [0,2,0,0,0,0|2,0,0]=4 19346 B14R1.148 CC(C)CCCOc1cccc(c1)Cl 7a_100000210295_100011214892 [0,2,0,0,0,0|2,0,0]=4 19347 B14R1.148 CC(C)CCCOc1cccc(c1)F 34a_100000210426_100011214892 [0,2,0,0,0,0|2,0,0]=4 19348 B14R1.148 CC(C)CCCOc1cccc(c1)F 7a_100000210426_100011214892 [0,2,0,0,0,0|2,0,0]=4 19349 B14R1.148 CC(C)CCCOc1cccc(c1)I 34a_100000211634_100011214892 [0,2,0,0,0,0|2,0,0]=4 19350 B14R1.148 CC(C)CCCOc1cccc(c1)I 7a_100000211634_100011214892 [0,2,0,0,0,0|2,0,0]=4 19351 B14R1.148 CC(C)CCCOc1cccc(c1)N 34a_100000210217_100011214892 [0,2,0,0,0,0|2,0,0]=4 19352 B14R1.148 CC(C)CCCSc1cccc(c1)Br 62a_100000691529_100011214892 [0,2,0,0,0,0|2,0,0]=4 19353 B14R1.148 CC(C)CCCSc1cccc(c1)Br 62a_100011214892_100000691529 [0,2,0,0,0,0|2,0,0]=4 19354 B14R1.148 CC(C)CCCSc1cccc(c1)Cl 62a_100000699651_100011214892 [0,2,0,0,0,0|2,0,0]=4 19355 B14R1.148 CC(C)CCCSc1cccc(c1)Cl 62a_100011214892_100000699651 [0,2,0,0,0,0|2,0,0]=4 19356 B14R1.148 CC(C)CCCSc1cccc(c1)F 62a_100000685547_100011214892 [0,2,0,0,0,0|2,0,0]=4 19357 B14R1.148 CC(C)CCCSc1cccc(c1)F 62a_100011214892_100000685547 [0,2,0,0,0,0|2,0,0]=4 19358 B14R1.148 CC(C)CCCSc1cccc(c1)N 62a_100000210019_100011214892 [0,2,0,0,0,0|2,0,0]=4 19359 B14R1.148 CC(C)CCCSc1cccc(c1)N 62a_100011214892_100000210019 [0,2,0,0,0,0|2,0,0]=4 19360 B14R1.148 CC(C)CCCSc1cccc(c1)O 62a_100011214892_100000211634 [0,2,0,0,0,0|2,0,0]=4 19361 B14R1.148 CC(C)CCCSc1cccc(c1)[S] 62a_100011214892_114929384022 [0,2,0,0,0,0|2,0,0]=4 19362 B14R1.148 CC(C)CCCSc1cccc(c1)[S] 62a_114929384022_100011214892 [0,2,0,0,0,0|2,0,0]=4 19363 B14R1.148 CC(C)CCNCc1cccc(c1)Br 207a_100000210545_100000210085 [0,2,0,0,0,0|2,0,0]=4 19364 B14R1.148 CC(C)CCNCc1cccc(c1)Br 2230a_100000174977_100000210312 [0,2,0,0,0,0|2,0,0]=4 19365 B14R1.148 CC(C)CCNCc1cccc(c1)Br 269862a_100000174977_100000185833 [0,2,0,0,0,0|2,0,0]=4 19366 B14R1.148 CC(C)CCNCc1cccc(c1)Br 26a_100000210545_100000210342 [0,2,0,0,0,0|2,0,0]=4 19367 B14R1.148 CC(C)CCNCc1cccc(c1)Br 270004a_100000210545_100000210085 [0,2,0,0,0,0|2,0,0]=4 19368 B14R1.148 CC(C)CCNCc1cccc(c1)Br 34a_100000174977_100000210312 [0,2,0,0,0,0|2,0,0]=4 19369 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 207a_100000210545_100000210801 [0,2,0,0,0,0|2,0,0]=4 19370 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 2230a_100000174878_100000210312 [0,2,0,0,0,0|2,0,0]=4 19371 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 269862a_100000174878_100000185833 [0,2,0,0,0,0|2,0,0]=4 19372 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 270004a_100000210545_100000210801 [0,2,0,0,0,0|2,0,0]=4 19373 B14R1.148 CC(C)CCNCc1cccc(c1)Cl 34a_100000174878_100000210312 [0,2,0,0,0,0|2,0,0]=4 19374 B14R1.148 CC(C)CCNCc1cccc(c1)F 207a_100000210545_100000210812 [0,2,0,0,0,0|2,0,0]=4 19375 B14R1.148 CC(C)CCNCc1cccc(c1)F 2230a_100000174948_100000210312 [0,2,0,0,0,0|2,0,0]=4 19376 B14R1.148 CC(C)CCNCc1cccc(c1)F 269862a_100000174948_100000185833 [0,2,0,0,0,0|2,0,0]=4 19377 B14R1.148 CC(C)CCNCc1cccc(c1)F 270004a_100000210545_100000210812 [0,2,0,0,0,0|2,0,0]=4 19378 B14R1.148 CC(C)CCNCc1cccc(c1)F 34a_100000174948_100000210312 [0,2,0,0,0,0|2,0,0]=4 19379 B14R1.148 CC(C)CCNCc1cccc(c1)I 207a_100000210545_100000014684 [0,2,0,0,0,0|2,0,0]=4 19380 B14R1.148 CC(C)CCNCc1cccc(c1)I 2230a_100000106179_100000210312 [0,2,0,0,0,0|2,0,0]=4 19381 B14R1.148 CC(C)CCNCc1cccc(c1)I 269862a_100000106179_100000185833 [0,2,0,0,0,0|2,0,0]=4 19382 B14R1.148 CC(C)CCNCc1cccc(c1)I 270004a_100000210545_100000014684 [0,2,0,0,0,0|2,0,0]=4 19383 B14R1.148 CC(C)CCNCc1cccc(c1)I 34a_100000106179_100000210312 [0,2,0,0,0,0|2,0,0]=4 19384 B14R1.148 CC(C)CCNCc1cccc(c1)O 207a_100000210545_100000188321 [0,2,0,0,0,0|2,0,0]=4 19385 B14R1.148 CC(C)CCNCc1cccc(c1)O 2230a_100000743036_100000210312 [0,2,0,0,0,0|2,0,0]=4 19386 B14R1.148 CC(C)CCNCc1cccc(c1)O 269862a_100000743036_100000185833 [0,2,0,0,0,0|2,0,0]=4 19387 B14R1.148 CC(C)CCNCc1cccc(c1)O 270004a_100000210545_100000188321 [0,2,0,0,0,0|2,0,0]=4 19388 B14R1.148 CC(C)CCNCc1cccc(c1)O 34a_100000743036_100000210312 [0,2,0,0,0,0|2,0,0]=4 19389 B14R1.148 CC(C)CCOCc1cccc(c1)Br 34a_100000210254_100000698116 [0,2,0,0,0,0|2,0,0]=4 19390 B14R1.148 CC(C)CCOCc1cccc(c1)Br 34a_100000687537_100000210312 [0,2,0,0,0,0|2,0,0]=4 19391 B14R1.148 CC(C)CCOCc1cccc(c1)Br 7a_100000210254_100000211773 [0,2,0,0,0,0|2,0,0]=4 19392 B14R1.148 CC(C)CCOCc1cccc(c1)Br 7a_100000687537_100000210626 [0,2,0,0,0,0|2,0,0]=4 19393 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 34a_100000210254_100000187163 [0,2,0,0,0,0|2,0,0]=4 19394 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 34a_100000241301_100000210312 [0,2,0,0,0,0|2,0,0]=4 19395 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 7a_100000210254_100000187163 [0,2,0,0,0,0|2,0,0]=4 19396 B14R1.148 CC(C)CCOCc1cccc(c1)Cl 7a_100000241301_100000210626 [0,2,0,0,0,0|2,0,0]=4 19397 B14R1.148 CC(C)CCOCc1cccc(c1)F 34a_100000210254_100000187166 [0,2,0,0,0,0|2,0,0]=4 19398 B14R1.148 CC(C)CCOCc1cccc(c1)F 34a_100000210976_100000210312 [0,2,0,0,0,0|2,0,0]=4 19399 B14R1.148 CC(C)CCOCc1cccc(c1)F 7a_100000210254_100000230114 [0,2,0,0,0,0|2,0,0]=4 19400 B14R1.148 CC(C)CCOCc1cccc(c1)F 7a_100000210976_100000210626 [0,2,0,0,0,0|2,0,0]=4 19401 B14R1.148 CC(C)CCOCc1cccc(c1)I 34a_100000210254_100011218688 [0,2,0,0,0,0|2,0,0]=4 19402 B14R1.148 CC(C)CCOCc1cccc(c1)I 34a_100011215336_100000210312 [0,2,0,0,0,0|2,0,0]=4 19403 B14R1.148 CC(C)CCOCc1cccc(c1)I 7a_100000210254_100011218688 [0,2,0,0,0,0|2,0,0]=4 19404 B14R1.148 CC(C)CCOCc1cccc(c1)I 7a_100011215336_100000210626 [0,2,0,0,0,0|2,0,0]=4 19405 B14R1.148 CC(C)CCOCc1cccc(c1)N 34a_100000211919_100000210312 [0,2,0,0,0,0|2,0,0]=4 19406 B14R1.148 CC(C)CCOCc1cccc(c1)O 34a_100000210254_100011660834 [0,2,0,0,0,0|2,0,0]=4 19407 B14R1.148 CC(C)CCOCc1cccc(c1)O 7a_100000210254_100000084143 [0,2,0,0,0,0|2,0,0]=4 19408 B14R1.148 CC(C)CCSCc1cccc(c1)Br 62a_100000210312_100000211773 [0,2,0,0,0,0|2,0,0]=4 19409 B14R1.148 CC(C)CCSCc1cccc(c1)Br 62a_100000211773_100000210312 [0,2,0,0,0,0|2,0,0]=4 19410 B14R1.148 CC(C)CCSCc1cccc(c1)Cl 62a_100000187163_100000210312 [0,2,0,0,0,0|2,0,0]=4 19411 B14R1.148 CC(C)CCSCc1cccc(c1)Cl 62a_100000210312_100000187163 [0,2,0,0,0,0|2,0,0]=4 19412 B14R1.148 CC(C)CCSCc1cccc(c1)F 62a_100000210312_100000230114 [0,2,0,0,0,0|2,0,0]=4 19413 B14R1.148 CC(C)CCSCc1cccc(c1)F 62a_100000230114_100000210312 [0,2,0,0,0,0|2,0,0]=4 19414 B14R1.148 CC(C)CCSCc1cccc(c1)I 62a_100000210312_100011218688 [0,2,0,0,0,0|2,0,0]=4 19415 B14R1.148 CC(C)CCSCc1cccc(c1)I 62a_100011218688_100000210312 [0,2,0,0,0,0|2,0,0]=4 19416 B14R1.148 CC(C)CCSCc1cccc(c1)O 62a_100000210312_100011660834 [0,2,0,0,0,0|2,0,0]=4 19417 B14R1.148 CC(C)CCSCc1cccc(c1)O 62a_100011660834_100000210312 [0,2,0,0,0,0|2,0,0]=4 19418 B14R1.148 CC(C)CNCCc1cccc(c1)Br 2230a_100000210953_100011740638 [0,2,0,0,0,0|2,0,0]=4 19419 B14R1.148 CC(C)CNCCc1cccc(c1)Br 2230a_100011207229_100000210760 [0,2,0,0,0,0|2,0,0]=4 19420 B14R1.148 CC(C)CNCCc1cccc(c1)Br 270004a_100011207229_100000210432 [0,2,0,0,0,0|2,0,0]=4 19421 B14R1.148 CC(C)CNCCc1cccc(c1)Br 34a_100000210953_100011740638 [0,2,0,0,0,0|2,0,0]=4 19422 B14R1.148 CC(C)CNCCc1cccc(c1)Br 34a_100011207229_100000210624 [0,2,0,0,0,0|2,0,0]=4 19423 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 2230a_100000185263_100000210760 [0,2,0,0,0,0|2,0,0]=4 19424 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 2230a_100000210953_100011713710 [0,2,0,0,0,0|2,0,0]=4 19425 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 270004a_100000185263_100000210432 [0,2,0,0,0,0|2,0,0]=4 19426 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 34a_100000185263_100000210624 [0,2,0,0,0,0|2,0,0]=4 19427 B14R1.148 CC(C)CNCCc1cccc(c1)Cl 34a_100000210953_100011713710 [0,2,0,0,0,0|2,0,0]=4 19428 B14R1.148 CC(C)CNCCc1cccc(c1)F 2230a_100000205154_100000210760 [0,2,0,0,0,0|2,0,0]=4 19429 B14R1.148 CC(C)CNCCc1cccc(c1)F 2230a_100000210953_100011217235 [0,2,0,0,0,0|2,0,0]=4 19430 B14R1.148 CC(C)CNCCc1cccc(c1)F 270004a_100000205154_100000210432 [0,2,0,0,0,0|2,0,0]=4 19431 B14R1.148 CC(C)CNCCc1cccc(c1)F 34a_100000205154_100000210624 [0,2,0,0,0,0|2,0,0]=4 19432 B14R1.148 CC(C)CNCCc1cccc(c1)F 34a_100000210953_100011217235 [0,2,0,0,0,0|2,0,0]=4 19433 B14R1.148 CC(C)CNCCc1cccc(c1)O 2230a_100000747277_100000210760 [0,2,0,0,0,0|2,0,0]=4 19434 B14R1.148 CC(C)CNCCc1cccc(c1)O 34a_100000747277_100000210624 [0,2,0,0,0,0|2,0,0]=4 19435 B14R1.148 CC(C)COCCc1cccc(c1)Br 34a_100000210257_100011740638 [0,2,0,0,0,0|2,0,0]=4 19436 B14R1.148 CC(C)COCCc1cccc(c1)Br 34a_100011217444_100000210624 [0,2,0,0,0,0|2,0,0]=4 19437 B14R1.148 CC(C)COCCc1cccc(c1)Br 7a_100011217444_100000210760 [0,2,0,0,0,0|2,0,0]=4 19438 B14R1.148 CC(C)COCCc1cccc(c1)Cl 34a_100000210257_100011713710 [0,2,0,0,0,0|2,0,0]=4 19439 B14R1.148 CC(C)COCCc1cccc(c1)Cl 34a_100000754733_100000210624 [0,2,0,0,0,0|2,0,0]=4 19440 B14R1.148 CC(C)COCCc1cccc(c1)Cl 7a_100000754733_100000210760 [0,2,0,0,0,0|2,0,0]=4 19441 B14R1.148 CC(C)COCCc1cccc(c1)F 34a_100000210257_100011217235 [0,2,0,0,0,0|2,0,0]=4 19442 B14R1.148 CC(C)COCCc1cccc(c1)F 34a_100000763591_100000210624 [0,2,0,0,0,0|2,0,0]=4 19443 B14R1.148 CC(C)COCCc1cccc(c1)F 7a_100000763591_100000210760 [0,2,0,0,0,0|2,0,0]=4 19444 B14R1.148 CC(C)COCCc1cccc(c1)N 34a_100011996697_100000210624 [0,2,0,0,0,0|2,0,0]=4 19445 B14R1.148 CC(C)CSCCc1cccc(c1)Br 62a_100000210624_100011740638 [0,2,0,0,0,0|2,0,0]=4 19446 B14R1.148 CC(C)CSCCc1cccc(c1)Br 62a_100011740638_100000210760 [0,2,0,0,0,0|2,0,0]=4 19447 B14R1.148 CC(C)CSCCc1cccc(c1)Cl 62a_100000210624_100011713710 [0,2,0,0,0,0|2,0,0]=4 19448 B14R1.148 CC(C)CSCCc1cccc(c1)Cl 62a_100011713710_100000210760 [0,2,0,0,0,0|2,0,0]=4 19449 B14R1.148 CC(C)CSCCc1cccc(c1)F 62a_100000210624_100011217235 [0,2,0,0,0,0|2,0,0]=4 19450 B14R1.148 CC(C)CSCCc1cccc(c1)F 62a_100011217235_100000210760 [0,2,0,0,0,0|2,0,0]=4 19451 B14R1.148 CC(C)NCCCc1cccc(c1)Br 2230a_100000753791_100000210206 [0,2,0,0,0,0|2,0,0]=4 19452 B14R1.148 CC(C)NCCCc1cccc(c1)Br 2230a_100138425928_100011713683 [0,2,0,0,0,0|2,0,0]=4 19453 B14R1.148 CC(C)NCCCc1cccc(c1)Br 34a_100000753791_100000210206 [0,2,0,0,0,0|2,0,0]=4 19454 B14R1.148 CC(C)NCCCc1cccc(c1)Br 34a_100138425928_100011713683 [0,2,0,0,0,0|2,0,0]=4 19455 B14R1.148 CC(C)NCCCc1cccc(c1)Cl 2230a_100000704586_100000210206 [0,2,0,0,0,0|2,0,0]=4 19456 B14R1.148 CC(C)NCCCc1cccc(c1)Cl 34a_100000704586_100000210206 [0,2,0,0,0,0|2,0,0]=4 19457 B14R1.148 CC(C)NCCCc1cccc(c1)F 2230a_100000754185_100000210206 [0,2,0,0,0,0|2,0,0]=4 19458 B14R1.148 CC(C)NCCCc1cccc(c1)F 2230a_100138425928_200000698031 [0,2,0,0,0,0|2,0,0]=4 19459 B14R1.148 CC(C)NCCCc1cccc(c1)F 34a_100000754185_100000210206 [0,2,0,0,0,0|2,0,0]=4 19460 B14R1.148 CC(C)NCCCc1cccc(c1)F 34a_100138425928_200000698031 [0,2,0,0,0,0|2,0,0]=4 19461 B14R1.148 CC(C)OCCCc1cccc(c1)Br 34a_100000212225_100011713683 [0,2,0,0,0,0|2,0,0]=4 19462 B14R1.148 CC(C)OCCCc1cccc(c1)Br 34a_100011709248_100000210206 [0,2,0,0,0,0|2,0,0]=4 19463 B14R1.148 CC(C)OCCCc1cccc(c1)Br 7a_100011709248_100000210206 [0,2,0,0,0,0|2,0,0]=4 19464 B14R1.148 CC(C)OCCCc1cccc(c1)Cl 34a_100011709246_100000210206 [0,2,0,0,0,0|2,0,0]=4 19465 B14R1.148 CC(C)OCCCc1cccc(c1)Cl 7a_100011709246_100000210206 [0,2,0,0,0,0|2,0,0]=4 19466 B14R1.148 CC(C)OCCCc1cccc(c1)F 34a_100000212225_200000698031 [0,2,0,0,0,0|2,0,0]=4 19467 B14R1.148 CC(C)OCCCc1cccc(c1)N 34a_200000698965_100000210206 [0,2,0,0,0,0|2,0,0]=4 19468 B14R1.148 CC(C)OCCCc1cccc(c1)N 7a_200000698965_100000210206 [0,2,0,0,0,0|2,0,0]=4 19469 B14R1.148 CC(C)SCCCc1cccc(c1)Br 62a_100000210206_100011713683 [0,2,0,0,0,0|2,0,0]=4 19470 B14R1.148 CC(C)SCCCc1cccc(c1)Br 62a_100011713683_100000210206 [0,2,0,0,0,0|2,0,0]=4 19471 B14R1.148 CC(C)SCCCc1cccc(c1)F 62a_100000210206_200000698031 [0,2,0,0,0,0|2,0,0]=4 19472 B14R1.148 CC(C)SCCCc1cccc(c1)F 62a_200000698031_100000210206 [0,2,0,0,0,0|2,0,0]=4 19473 B14R1.148 CC(F)COCCc1cccc(c1)Br 34a_100015925927_100011740638 [0,2,0,0,0,0|2,0,0]=4 19474 B14R1.148 CC(F)COCCc1cccc(c1)Cl 34a_100015925927_100011713710 [0,2,0,0,0,0|2,0,0]=4 19475 B14R1.148 CC(F)COCCc1cccc(c1)F 34a_100015925927_100011217235 [0,2,0,0,0,0|2,0,0]=4 19476 B14R1.148 CC(O)CCCNc1cccc(c1)Br 34a_100000210019_200000718107 [0,2,0,0,0,0|1,0,0]=3 19477 B14R1.148 CC(O)CCCNc1cccc(c1)Cl 34a_100000185859_200000718107 [0,2,0,0,0,0|1,0,0]=3 19478 B14R1.148 CC(O)CCCNc1cccc(c1)F 34a_100000210047_200000718107 [0,2,0,0,0,0|1,0,0]=3 19479 B14R1.148 CC(O)CCCNc1cccc(c1)I 34a_100000211102_200000718107 [0,2,0,0,0,0|1,0,0]=3 19480 B14R1.148 CC(O)CCCNc1cccc(c1)O 34a_100000210217_200000718107 [0,2,0,0,0,0|1,0,0]=3 19481 B14R1.148 CC(O)CCCOc1cc[nH]c(=O)c1 34a_100000032262_200000718107 [0,2,0,0,0,0|2,0,0]=4 19482 B14R1.148 CC(O)CCCOc1ccc[n+](c1)[O-] 34a_100000039713_200000718107 [0,2,0,0,0,0|2,0,0]=4 19483 B14R1.148 CC(O)CCCOc1ccc[n+](c1)[O-] 7a_100000039713_200000718107 [0,2,0,0,0,0|2,0,0]=4 19484 B14R1.148 CC(O)CCCOc1cccc(=O)[nH]1 34a_100000033347_200000718107 [0,2,0,0,0,0|2,0,0]=4 19485 B14R1.148 CC(O)CCCOc1cccc(c1)Br 34a_100000210342_200000718107 [0,2,0,0,0,0|1,0,0]=3 19486 B14R1.148 CC(O)CCCOc1cccc(c1)Br 7a_100000210342_200000718107 [0,2,0,0,0,0|1,0,0]=3 19487 B14R1.148 CC(O)CCCOc1cccc(c1)Cl 34a_100000210295_200000718107 [0,2,0,0,0,0|1,0,0]=3 19488 B14R1.148 CC(O)CCCOc1cccc(c1)Cl 7a_100000210295_200000718107 [0,2,0,0,0,0|1,0,0]=3 19489 B14R1.148 CC(O)CCCOc1cccc(c1)F 34a_100000210426_200000718107 [0,2,0,0,0,0|1,0,0]=3 19490 B14R1.148 CC(O)CCCOc1cccc(c1)F 7a_100000210426_200000718107 [0,2,0,0,0,0|1,0,0]=3 19491 B14R1.148 CC(O)CCCOc1cccc(c1)I 34a_100000211634_200000718107 [0,2,0,0,0,0|1,0,0]=3 19492 B14R1.148 CC(O)CCCOc1cccc(c1)I 7a_100000211634_200000718107 [0,2,0,0,0,0|1,0,0]=3 19493 B14R1.148 CC(O)CCCOc1cccc(c1)N 34a_100000210217_200000718107 [0,2,0,0,0,0|1,0,0]=3 19494 B14R1.148 CC(O)CCCOc1cccc(n1)F 34a_100011432558_200000718107 [0,2,0,0,0,0|2,0,0]=4 19495 B14R1.148 CC(O)CCCOc1ccnc(c1)Cl 34a_100000762945_200000718107 [0,2,0,0,0,0|2,0,0]=4 19496 B14R1.148 CC(O)CCCOc1ccnc(c1)F 34a_100000732698_200000718107 [0,2,0,0,0,0|2,0,0]=4 19497 B14R1.148 CC(O)CCCOc1ccnc(c1)N 34a_100011834064_200000718107 [0,2,0,0,0,0|2,0,0]=4 19498 B14R1.148 CC(O)CCCOc1cncc(c1)Br 34a_100000754920_200000718107 [0,2,0,0,0,0|2,0,0]=4 19499 B14R1.148 CC(O)CCCOc1cncc(c1)Br 7a_100000754920_200000718107 [0,2,0,0,0,0|2,0,0]=4 19500 B14R1.148 CC(O)CCCOc1cncc(c1)Cl 7a_100000032511_200000718107 [0,2,0,0,0,0|2,0,0]=4 19501 B14R1.148 CC(O)CCCOc1cncc(c1)F 34a_100011830296_200000718107 [0,2,0,0,0,0|2,0,0]=4 19502 B14R1.148 CC(O)CCCOc1cncc(c1)F 7a_100011830296_200000718107 [0,2,0,0,0,0|2,0,0]=4 19503 B14R1.148 CC(O)CCCOc1cncc(c1)N 34a_100011997051_200000718107 [0,2,0,0,0,0|2,0,0]=4 19504 B14R1.148 CC(O)CCCSc1cc(=O)cc[nH]1 62a_100009817434_200000718107 [0,2,0,0,0,0|2,0,0]=4 19505 B14R1.148 CC(O)CCCSc1cc(ccn1)Cl 62a_100010167805_200000718107 [0,2,0,0,0,0|2,0,0]=4 19506 B14R1.148 CC(O)CCCSc1cc(ccn1)Cl 62a_200000718107_100010167805 [0,2,0,0,0,0|2,0,0]=4 19507 B14R1.148 CC(O)CCCSc1cc(ccn1)F 62a_100000764206_200000718107 [0,2,0,0,0,0|2,0,0]=4 19508 B14R1.148 CC(O)CCCSc1cc(ccn1)F 62a_200000718107_100000764206 [0,2,0,0,0,0|2,0,0]=4 19509 B14R1.148 CC(O)CCCSc1cc(ccn1)N 62a_100009814236_200000718107 [0,2,0,0,0,0|2,0,0]=4 19510 B14R1.148 CC(O)CCCSc1cc(ccn1)N 62a_200000718107_100009814236 [0,2,0,0,0,0|2,0,0]=4 19511 B14R1.148 CC(O)CCCSc1cc(ccn1)O 62a_200000718107_100000762945 [0,2,0,0,0,0|2,0,0]=4 19512 B14R1.148 CC(O)CCCSc1cc[nH]c(=O)c1 62a_100009816521_200000718107 [0,2,0,0,0,0|2,0,0]=4 19513 B14R1.148 CC(O)CCCSc1cc[nH]c(=O)c1 62a_200000718107_100009816521 [0,2,0,0,0,0|2,0,0]=4 19514 B14R1.148 CC(O)CCCSc1ccc[n+](c1)C 62a_100009996589_200000718107 [0,2,0,0,0,0|2,0,0]=4 19515 B14R1.148 CC(O)CCCSc1ccc[n+](c1)C 62a_200000718107_100009996589 [0,2,0,0,0,0|2,0,0]=4 19516 B14R1.148 CC(O)CCCSc1ccc[n+](c1)[O-] 62a_200000718107_100009815978 [0,2,0,0,0,0|2,0,0]=4 19517 B14R1.148 CC(O)CCCSc1cccc(=O)[nH]1 62a_200000718107_100000752884 [0,2,0,0,0,0|2,0,0]=4 19518 B14R1.148 CC(O)CCCSc1cccc(c1)Br 62a_100000691529_200000718107 [0,2,0,0,0,0|1,0,0]=3 19519 B14R1.148 CC(O)CCCSc1cccc(c1)Br 62a_200000718107_100000691529 [0,2,0,0,0,0|1,0,0]=3 19520 B14R1.148 CC(O)CCCSc1cccc(c1)Cl 62a_100000699651_200000718107 [0,2,0,0,0,0|1,0,0]=3 19521 B14R1.148 CC(O)CCCSc1cccc(c1)Cl 62a_200000718107_100000699651 [0,2,0,0,0,0|1,0,0]=3 19522 B14R1.148 CC(O)CCCSc1cccc(c1)F 62a_100000685547_200000718107 [0,2,0,0,0,0|1,0,0]=3 19523 B14R1.148 CC(O)CCCSc1cccc(c1)F 62a_200000718107_100000685547 [0,2,0,0,0,0|1,0,0]=3 19524 B14R1.148 CC(O)CCCSc1cccc(c1)N 62a_100000210019_200000718107 [0,2,0,0,0,0|1,0,0]=3 19525 B14R1.148 CC(O)CCCSc1cccc(c1)N 62a_200000718107_100000210019 [0,2,0,0,0,0|1,0,0]=3 19526 B14R1.148 CC(O)CCCSc1cccc(c1)O 62a_200000718107_100000211634 [0,2,0,0,0,0|1,0,0]=3 19527 B14R1.148 CC(O)CCCSc1cccc(c1)[S] 62a_114929384022_200000718107 [0,2,0,0,0,0|1,0,0]=3 19528 B14R1.148 CC(O)CCCSc1cccc(c1)[S] 62a_200000718107_114929384022 [0,2,0,0,0,0|1,0,0]=3 19529 B14R1.148 CC(O)CCCSc1cccc(n1)Br 62a_100000684672_200000718107 [0,2,0,0,0,0|2,0,0]=4 19530 B14R1.148 CC(O)CCCSc1cccc(n1)Br 62a_200000718107_100000684672 [0,2,0,0,0,0|2,0,0]=4 19531 B14R1.148 CC(O)CCCSc1cccc(n1)Cl 62a_100000051397_200000718107 [0,2,0,0,0,0|2,0,0]=4 19532 B14R1.148 CC(O)CCCSc1cccc(n1)Cl 62a_200000718107_100000051397 [0,2,0,0,0,0|2,0,0]=4 19533 B14R1.148 CC(O)CCCSc1cccc(n1)F 62a_100009815982_200000718107 [0,2,0,0,0,0|2,0,0]=4 19534 B14R1.148 CC(O)CCCSc1cccc(n1)F 62a_200000718107_100009815982 [0,2,0,0,0,0|2,0,0]=4 19535 B14R1.148 CC(O)CCCSc1cccc(n1)N 62a_100000740741_200000718107 [0,2,0,0,0,0|2,0,0]=4 19536 B14R1.148 CC(O)CCCSc1cccc(n1)N 62a_200000718107_100000740741 [0,2,0,0,0,0|2,0,0]=4 19537 B14R1.148 CC(O)CCCSc1ccnc(c1)Br 62a_100009814637_200000718107 [0,2,0,0,0,0|2,0,0]=4 19538 B14R1.148 CC(O)CCCSc1ccnc(c1)Br 62a_200000718107_100009814637 [0,2,0,0,0,0|2,0,0]=4 19539 B14R1.148 CC(O)CCCSc1ccnc(c1)Cl 62a_100000035001_200000718107 [0,2,0,0,0,0|2,0,0]=4 19540 B14R1.148 CC(O)CCCSc1ccnc(c1)Cl 62a_200000718107_100000035001 [0,2,0,0,0,0|2,0,0]=4 19541 B14R1.148 CC(O)CCCSc1ccnc(c1)F 62a_100009816116_200000718107 [0,2,0,0,0,0|2,0,0]=4 19542 B14R1.148 CC(O)CCCSc1ccnc(c1)F 62a_200000718107_100009816116 [0,2,0,0,0,0|2,0,0]=4 19543 B14R1.148 CC(O)CCCSc1ccnc(c1)N 62a_100000049665_200000718107 [0,2,0,0,0,0|2,0,0]=4 19544 B14R1.148 CC(O)CCCSc1ccnc(c1)N 62a_200000718107_100000049665 [0,2,0,0,0,0|2,0,0]=4 19545 B14R1.148 CC(O)CCCSc1cncc(c1)Br 62a_100000728054_200000718107 [0,2,0,0,0,0|2,0,0]=4 19546 B14R1.148 CC(O)CCCSc1cncc(c1)Br 62a_200000718107_100000728054 [0,2,0,0,0,0|2,0,0]=4 19547 B14R1.148 CC(O)CCCSc1cncc(c1)Cl 62a_100000049639_200000718107 [0,2,0,0,0,0|2,0,0]=4 19548 B14R1.148 CC(O)CCCSc1cncc(c1)Cl 62a_200000718107_100000049639 [0,2,0,0,0,0|2,0,0]=4 19549 B14R1.148 CC(O)CCCSc1cncc(c1)F 62a_100000744099_200000718107 [0,2,0,0,0,0|2,0,0]=4 19550 B14R1.148 CC(O)CCCSc1cncc(c1)F 62a_200000718107_100000744099 [0,2,0,0,0,0|2,0,0]=4 19551 B14R1.148 CC(O)CCCSc1cncc(c1)N 62a_100000687067_200000718107 [0,2,0,0,0,0|2,0,0]=4 19552 B14R1.148 CC(O)CCCSc1cncc(c1)N 62a_200000718107_100000687067 [0,2,0,0,0,0|2,0,0]=4 19553 B14R1.148 CC(O)CCCSc1cncc(c1)O 62a_100000754920_200000718107 [0,2,0,0,0,0|2,0,0]=4 19554 B14R1.148 CC(O)CCCSc1cncc(c1)O 62a_200000718107_100000754920 [0,2,0,0,0,0|2,0,0]=4 19555 B14R1.148 CC(O)CCNCc1cc(ccn1)Br 2230a_200000755665_100010173614 [0,2,0,0,0,0|2,0,0]=4 19556 B14R1.148 CC(O)CCNCc1cc(ccn1)Br 270004a_200000755665_100009818557 [0,2,0,0,0,0|2,0,0]=4 19557 B14R1.148 CC(O)CCNCc1cc(ccn1)Cl 2230a_200000755665_100016988179 [0,2,0,0,0,0|2,0,0]=4 19558 B14R1.148 CC(O)CCNCc1cc(ccn1)Cl 270004a_200000755665_100011998288 [0,2,0,0,0,0|2,0,0]=4 19559 B14R1.148 CC(O)CCNCc1cccc(=O)[nH]1 207a_200000755665_100011935257 [0,2,0,0,0,0|2,0,0]=4 19560 B14R1.148 CC(O)CCNCc1cccc(=O)[nH]1 2230a_100000696482_100012276601 [0,2,0,0,0,0|2,0,0]=4 19561 B14R1.148 CC(O)CCNCc1cccc(c1)Br 207a_200000755665_100000210085 [0,2,0,0,0,0|1,0,0]=3 19562 B14R1.148 CC(O)CCNCc1cccc(c1)Br 2230a_100000174977_100012276601 [0,2,0,0,0,0|1,0,0]=3 19563 B14R1.148 CC(O)CCNCc1cccc(c1)Br 2230a_200000755665_100000698116 [0,2,0,0,0,0|1,0,0]=3 19564 B14R1.148 CC(O)CCNCc1cccc(c1)Br 270004a_200000755665_100000210085 [0,2,0,0,0,0|1,0,0]=3 19565 B14R1.148 CC(O)CCNCc1cccc(c1)Br 34a_100000174977_100012276601 [0,2,0,0,0,0|1,0,0]=3 19566 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 207a_200000755665_100000210801 [0,2,0,0,0,0|1,0,0]=3 19567 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 2230a_100000174878_100012276601 [0,2,0,0,0,0|1,0,0]=3 19568 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 2230a_200000755665_100000181238 [0,2,0,0,0,0|1,0,0]=3 19569 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 270004a_200000755665_100000210801 [0,2,0,0,0,0|1,0,0]=3 19570 B14R1.148 CC(O)CCNCc1cccc(c1)Cl 34a_100000174878_100012276601 [0,2,0,0,0,0|1,0,0]=3 19571 B14R1.148 CC(O)CCNCc1cccc(c1)F 207a_200000755665_100000210812 [0,2,0,0,0,0|1,0,0]=3 19572 B14R1.148 CC(O)CCNCc1cccc(c1)F 2230a_100000174948_100012276601 [0,2,0,0,0,0|1,0,0]=3 19573 B14R1.148 CC(O)CCNCc1cccc(c1)F 2230a_200000755665_100000230114 [0,2,0,0,0,0|1,0,0]=3 19574 B14R1.148 CC(O)CCNCc1cccc(c1)F 270004a_200000755665_100000210812 [0,2,0,0,0,0|1,0,0]=3 19575 B14R1.148 CC(O)CCNCc1cccc(c1)F 34a_100000174948_100012276601 [0,2,0,0,0,0|1,0,0]=3 19576 B14R1.148 CC(O)CCNCc1cccc(c1)I 207a_200000755665_100000014684 [0,2,0,0,0,0|1,0,0]=3 19577 B14R1.148 CC(O)CCNCc1cccc(c1)I 2230a_100000106179_100012276601 [0,2,0,0,0,0|1,0,0]=3 19578 B14R1.148 CC(O)CCNCc1cccc(c1)I 2230a_200000755665_100011218688 [0,2,0,0,0,0|1,0,0]=3 19579 B14R1.148 CC(O)CCNCc1cccc(c1)I 270004a_200000755665_100000014684 [0,2,0,0,0,0|1,0,0]=3 19580 B14R1.148 CC(O)CCNCc1cccc(c1)I 34a_100000106179_100012276601 [0,2,0,0,0,0|1,0,0]=3 19581 B14R1.148 CC(O)CCNCc1cccc(c1)O 207a_200000755665_100000188321 [0,2,0,0,0,0|1,0,0]=3 19582 B14R1.148 CC(O)CCNCc1cccc(c1)O 2230a_100000743036_100012276601 [0,2,0,0,0,0|1,0,0]=3 19583 B14R1.148 CC(O)CCNCc1cccc(c1)O 2230a_200000755665_100011660834 [0,2,0,0,0,0|1,0,0]=3 19584 B14R1.148 CC(O)CCNCc1cccc(c1)O 270004a_200000755665_100000188321 [0,2,0,0,0,0|1,0,0]=3 19585 B14R1.148 CC(O)CCNCc1cccc(c1)O 34a_100000743036_100012276601 [0,2,0,0,0,0|1,0,0]=3 19586 B14R1.148 CC(O)CCNCc1cccc(n1)Br 2230a_100016987751_100012276601 [0,2,0,0,0,0|2,0,0]=4 19587 B14R1.148 CC(O)CCNCc1cccc(n1)Br 2230a_200000755665_100009889011 [0,2,0,0,0,0|2,0,0]=4 19588 B14R1.148 CC(O)CCNCc1cccc(n1)Br 270004a_200000755665_100000688028 [0,2,0,0,0,0|2,0,0]=4 19589 B14R1.148 CC(O)CCNCc1cccc(n1)Cl 2230a_100016990191_100012276601 [0,2,0,0,0,0|2,0,0]=4 19590 B14R1.148 CC(O)CCNCc1cccc(n1)Cl 2230a_200000755665_100000086093 [0,2,0,0,0,0|2,0,0]=4 19591 B14R1.148 CC(O)CCNCc1cccc(n1)Cl 270004a_200000755665_100011361687 [0,2,0,0,0,0|2,0,0]=4 19592 B14R1.148 CC(O)CCNCc1cccc(n1)F 2230a_100015188798_100012276601 [0,2,0,0,0,0|2,0,0]=4 19593 B14R1.148 CC(O)CCNCc1cccc(n1)F 2230a_200000755665_100009819644 [0,2,0,0,0,0|2,0,0]=4 19594 B14R1.148 CC(O)CCNCc1cccc(n1)F 270004a_200000755665_100000050434 [0,2,0,0,0,0|2,0,0]=4 19595 B14R1.148 CC(O)CCNCc1cccc(n1)F 34a_100015188798_100012276601 [0,2,0,0,0,0|2,0,0]=4 19596 B14R1.148 CC(O)CCNCc1ccnc(c1)Br 2230a_100025757509_100012276601 [0,2,0,0,0,0|2,0,0]=4 19597 B14R1.148 CC(O)CCNCc1ccnc(c1)Br 2230a_200000755665_100010243470 [0,2,0,0,0,0|2,0,0]=4 19598 B14R1.148 CC(O)CCNCc1ccnc(c1)Br 270004a_200000755665_100009814634 [0,2,0,0,0,0|2,0,0]=4 19599 B14R1.148 CC(O)CCNCc1ccnc(c1)Br 34a_100025757509_100012276601 [0,2,0,0,0,0|2,0,0]=4 19600 B14R1.148 CC(O)CCNCc1ccnc(c1)Cl 2230a_100015205668_100012276601 [0,2,0,0,0,0|2,0,0]=4 19601 B14R1.148 CC(O)CCNCc1ccnc(c1)Cl 2230a_200000755665_100000764220 [0,2,0,0,0,0|2,0,0]=4 19602 B14R1.148 CC(O)CCNCc1ccnc(c1)Cl 270004a_200000755665_100011290808 [0,2,0,0,0,0|2,0,0]=4 19603 B14R1.148 CC(O)CCNCc1ccnc(c1)Cl 34a_100015205668_100012276601 [0,2,0,0,0,0|2,0,0]=4 19604 B14R1.148 CC(O)CCNCc1ccnc(c1)F 2230a_100015188774_100012276601 [0,2,0,0,0,0|2,0,0]=4 19605 B14R1.148 CC(O)CCNCc1ccnc(c1)F 270004a_200000755665_100000068331 [0,2,0,0,0,0|2,0,0]=4 19606 B14R1.148 CC(O)CCNCc1ccnc(c1)F 34a_100015188774_100012276601 [0,2,0,0,0,0|2,0,0]=4 19607 B14R1.148 CC(O)CCNCc1ccnc(c1)O 207a_200000755665_100000688113 [0,2,0,0,0,0|2,0,0]=4 19608 B14R1.148 CC(O)CCNCc1cncc(c1)Br 207a_200000755665_100000687066 [0,2,0,0,0,0|2,0,0]=4 19609 B14R1.148 CC(O)CCNCc1cncc(c1)Br 2230a_200000755665_100000738771 [0,2,0,0,0,0|2,0,0]=4 19610 B14R1.148 CC(O)CCNCc1cncc(c1)Br 270004a_200000755665_100000687066 [0,2,0,0,0,0|2,0,0]=4 19611 B14R1.148 CC(O)CCNCc1cncc(c1)Cl 207a_200000755665_100000088910 [0,2,0,0,0,0|2,0,0]=4 19612 B14R1.148 CC(O)CCNCc1cncc(c1)Cl 2230a_200000755665_100016992070 [0,2,0,0,0,0|2,0,0]=4 19613 B14R1.148 CC(O)CCNCc1cncc(c1)Cl 2230a_200020614424_100012276601 [0,2,0,0,0,0|2,0,0]=4 19614 B14R1.148 CC(O)CCNCc1cncc(c1)Cl 270004a_200000755665_100000088910 [0,2,0,0,0,0|2,0,0]=4 19615 B14R1.148 CC(O)CCNCc1cncc(c1)F 207a_200000755665_100011361476 [0,2,0,0,0,0|2,0,0]=4 19616 B14R1.148 CC(O)CCNCc1cncc(c1)F 2230a_100011962886_100012276601 [0,2,0,0,0,0|2,0,0]=4 19617 B14R1.148 CC(O)CCNCc1cncc(c1)F 2230a_200000755665_100000725299 [0,2,0,0,0,0|2,0,0]=4 19618 B14R1.148 CC(O)CCNCc1cncc(c1)F 270004a_200000755665_100011361476 [0,2,0,0,0,0|2,0,0]=4 19619 B14R1.148 CC(O)CCNCc1cncc(c1)F 34a_100011962886_100012276601 [0,2,0,0,0,0|2,0,0]=4 19620 B14R1.148 CC(O)CCNCc1cncc(c1)O 207a_200000755665_100012187055 [0,2,0,0,0,0|2,0,0]=4 19621 B14R1.148 CC(O)CCNCc1cncc(c1)O 270004a_200000755665_100012187055 [0,2,0,0,0,0|2,0,0]=4 19622 B14R1.148 CC(O)CCOCc1cc(ccn1)Cl 34a_100000748867_100012276601 [0,2,0,0,0,0|2,0,0]=4 19623 B14R1.148 CC(O)CCOCc1cc(ccn1)N 34a_100000692640_100012276601 [0,2,0,0,0,0|2,0,0]=4 19624 B14R1.148 CC(O)CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100012276601 [0,2,0,0,0,0|2,0,0]=4 19625 B14R1.148 CC(O)CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100012276601 [0,2,0,0,0,0|2,0,0]=4 19626 B14R1.148 CC(O)CCOCc1cccc(c1)Br 34a_100000687537_100012276601 [0,2,0,0,0,0|1,0,0]=3 19627 B14R1.148 CC(O)CCOCc1cccc(c1)Br 7a_100000687537_100012276601 [0,2,0,0,0,0|1,0,0]=3 19628 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 34a_100000241301_100012276601 [0,2,0,0,0,0|1,0,0]=3 19629 B14R1.148 CC(O)CCOCc1cccc(c1)Cl 7a_100000241301_100012276601 [0,2,0,0,0,0|1,0,0]=3 19630 B14R1.148 CC(O)CCOCc1cccc(c1)F 34a_100000210976_100012276601 [0,2,0,0,0,0|1,0,0]=3 19631 B14R1.148 CC(O)CCOCc1cccc(c1)F 7a_100000210976_100012276601 [0,2,0,0,0,0|1,0,0]=3 19632 B14R1.148 CC(O)CCOCc1cccc(c1)I 34a_100011215336_100012276601 [0,2,0,0,0,0|1,0,0]=3 19633 B14R1.148 CC(O)CCOCc1cccc(c1)I 7a_100011215336_100012276601 [0,2,0,0,0,0|1,0,0]=3 19634 B14R1.148 CC(O)CCOCc1cccc(c1)N 34a_100000211919_100012276601 [0,2,0,0,0,0|1,0,0]=3 19635 B14R1.148 CC(O)CCOCc1cccc(n1)Br 34a_100000694195_100012276601 [0,2,0,0,0,0|2,0,0]=4 19636 B14R1.148 CC(O)CCOCc1cccc(n1)Cl 34a_100011998359_100012276601 [0,2,0,0,0,0|2,0,0]=4 19637 B14R1.148 CC(O)CCOCc1cccc(n1)F 34a_100000086748_100012276601 [0,2,0,0,0,0|2,0,0]=4 19638 B14R1.148 CC(O)CCOCc1ccnc(c1)Br 34a_100009814636_100012276601 [0,2,0,0,0,0|2,0,0]=4 19639 B14R1.148 CC(O)CCOCc1ccnc(c1)Br 7a_100009814636_100012276601 [0,2,0,0,0,0|2,0,0]=4 19640 B14R1.148 CC(O)CCOCc1ccnc(c1)Cl 34a_100000748751_100012276601 [0,2,0,0,0,0|2,0,0]=4 19641 B14R1.148 CC(O)CCOCc1ccnc(c1)F 34a_100000082451_100012276601 [0,2,0,0,0,0|2,0,0]=4 19642 B14R1.148 CC(O)CCOCc1cncc(c1)Br 34a_100011259137_100012276601 [0,2,0,0,0,0|2,0,0]=4 19643 B14R1.148 CC(O)CCOCc1cncc(c1)Br 7a_100011259137_100012276601 [0,2,0,0,0,0|2,0,0]=4 19644 B14R1.148 CC(O)CCOCc1cncc(c1)Cl 34a_100000092867_100012276601 [0,2,0,0,0,0|2,0,0]=4 19645 B14R1.148 CC(O)CCOCc1cncc(c1)Cl 7a_100000092867_100012276601 [0,2,0,0,0,0|2,0,0]=4 19646 B14R1.148 CC(O)CCOCc1cncc(c1)F 34a_100011962875_100012276601 [0,2,0,0,0,0|2,0,0]=4 19647 B14R1.148 CC(O)CCOCc1cncc(c1)F 7a_100011962875_100012276601 [0,2,0,0,0,0|2,0,0]=4 19648 B14R1.148 CC(O)CCOCc1cncc(c1)N 34a_100000085308_100012276601 [0,2,0,0,0,0|2,0,0]=4 19649 B14R1.148 CC(O)CCSCc1cc(ccn1)Br 62a_100010173614_100012276601 [0,2,0,0,0,0|2,0,0]=4 19650 B14R1.148 CC(O)CCSCc1cc(ccn1)Br 62a_100012276601_100010173614 [0,2,0,0,0,0|2,0,0]=4 19651 B14R1.148 CC(O)CCSCc1cc(ccn1)Cl 62a_100012276601_100016988179 [0,2,0,0,0,0|2,0,0]=4 19652 B14R1.148 CC(O)CCSCc1cc(ccn1)Cl 62a_100016988179_100012276601 [0,2,0,0,0,0|2,0,0]=4 19653 B14R1.148 CC(O)CCSCc1cccc(c1)Br 62a_100000211773_100012276601 [0,2,0,0,0,0|1,0,0]=3 19654 B14R1.148 CC(O)CCSCc1cccc(c1)Br 62a_100012276601_100000211773 [0,2,0,0,0,0|1,0,0]=3 19655 B14R1.148 CC(O)CCSCc1cccc(c1)Cl 62a_100000187163_100012276601 [0,2,0,0,0,0|1,0,0]=3 19656 B14R1.148 CC(O)CCSCc1cccc(c1)Cl 62a_100012276601_100000187163 [0,2,0,0,0,0|1,0,0]=3 19657 B14R1.148 CC(O)CCSCc1cccc(c1)F 62a_100000230114_100012276601 [0,2,0,0,0,0|1,0,0]=3 19658 B14R1.148 CC(O)CCSCc1cccc(c1)F 62a_100012276601_100000230114 [0,2,0,0,0,0|1,0,0]=3 19659 B14R1.148 CC(O)CCSCc1cccc(c1)I 62a_100011218688_100012276601 [0,2,0,0,0,0|1,0,0]=3 19660 B14R1.148 CC(O)CCSCc1cccc(c1)I 62a_100012276601_100011218688 [0,2,0,0,0,0|1,0,0]=3 19661 B14R1.148 CC(O)CCSCc1cccc(c1)O 62a_100011660834_100012276601 [0,2,0,0,0,0|1,0,0]=3 19662 B14R1.148 CC(O)CCSCc1cccc(c1)O 62a_100012276601_100011660834 [0,2,0,0,0,0|1,0,0]=3 19663 B14R1.148 CC(O)CCSCc1cccc(n1)Br 62a_100009889011_100012276601 [0,2,0,0,0,0|2,0,0]=4 19664 B14R1.148 CC(O)CCSCc1cccc(n1)Br 62a_100012276601_100009889011 [0,2,0,0,0,0|2,0,0]=4 19665 B14R1.148 CC(O)CCSCc1cccc(n1)Cl 62a_100000086093_100012276601 [0,2,0,0,0,0|2,0,0]=4 19666 B14R1.148 CC(O)CCSCc1cccc(n1)Cl 62a_100012276601_100000086093 [0,2,0,0,0,0|2,0,0]=4 19667 B14R1.148 CC(O)CCSCc1cccc(n1)F 62a_100009819644_100012276601 [0,2,0,0,0,0|2,0,0]=4 19668 B14R1.148 CC(O)CCSCc1cccc(n1)F 62a_100012276601_100009819644 [0,2,0,0,0,0|2,0,0]=4 19669 B14R1.148 CC(O)CCSCc1ccnc(c1)Br 62a_100010254460_100012276601 [0,2,0,0,0,0|2,0,0]=4 19670 B14R1.148 CC(O)CCSCc1ccnc(c1)Br 62a_100012276601_100010243470 [0,2,0,0,0,0|2,0,0]=4 19671 B14R1.148 CC(O)CCSCc1ccnc(c1)Cl 62a_100000764220_100012276601 [0,2,0,0,0,0|2,0,0]=4 19672 B14R1.148 CC(O)CCSCc1ccnc(c1)Cl 62a_100012276601_100000764220 [0,2,0,0,0,0|2,0,0]=4 19673 B14R1.148 CC(O)CCSCc1cncc(c1)Br 62a_100000738771_100012276601 [0,2,0,0,0,0|2,0,0]=4 19674 B14R1.148 CC(O)CCSCc1cncc(c1)Br 62a_100012276601_100000738771 [0,2,0,0,0,0|2,0,0]=4 19675 B14R1.148 CC(O)CCSCc1cncc(c1)Cl 62a_100012276601_100016992070 [0,2,0,0,0,0|2,0,0]=4 19676 B14R1.148 CC(O)CCSCc1cncc(c1)Cl 62a_100016992070_100012276601 [0,2,0,0,0,0|2,0,0]=4 19677 B14R1.148 CC(O)CCSCc1cncc(c1)F 62a_100000725299_100012276601 [0,2,0,0,0,0|2,0,0]=4 19678 B14R1.148 CC(O)CCSCc1cncc(c1)F 62a_100012276601_100000725299 [0,2,0,0,0,0|2,0,0]=4 19679 B14R1.148 CC(O)CNCCc1cccc(c1)Br 2230a_100000210904_100011740638 [0,2,0,0,0,0|1,0,0]=3 19680 B14R1.148 CC(O)CNCCc1cccc(c1)Br 2230a_100011207229_100011218427 [0,2,0,0,0,0|1,0,0]=3 19681 B14R1.148 CC(O)CNCCc1cccc(c1)Br 34a_100000210904_100011740638 [0,2,0,0,0,0|1,0,0]=3 19682 B14R1.148 CC(O)CNCCc1cccc(c1)Br 34a_100011207229_100011218427 [0,2,0,0,0,0|1,0,0]=3 19683 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 2230a_100000185263_100011218427 [0,2,0,0,0,0|1,0,0]=3 19684 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 2230a_100000210904_100011713710 [0,2,0,0,0,0|1,0,0]=3 19685 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 34a_100000185263_100011218427 [0,2,0,0,0,0|1,0,0]=3 19686 B14R1.148 CC(O)CNCCc1cccc(c1)Cl 34a_100000210904_100011713710 [0,2,0,0,0,0|1,0,0]=3 19687 B14R1.148 CC(O)CNCCc1cccc(c1)F 2230a_100000205154_100011218427 [0,2,0,0,0,0|1,0,0]=3 19688 B14R1.148 CC(O)CNCCc1cccc(c1)F 2230a_100000210904_100011217235 [0,2,0,0,0,0|1,0,0]=3 19689 B14R1.148 CC(O)CNCCc1cccc(c1)F 34a_100000205154_100011218427 [0,2,0,0,0,0|1,0,0]=3 19690 B14R1.148 CC(O)CNCCc1cccc(c1)F 34a_100000210904_100011217235 [0,2,0,0,0,0|1,0,0]=3 19691 B14R1.148 CC(O)CNCCc1cccc(c1)O 2230a_100000747277_100011218427 [0,2,0,0,0,0|1,0,0]=3 19692 B14R1.148 CC(O)CNCCc1cccc(c1)O 34a_100000747277_100011218427 [0,2,0,0,0,0|1,0,0]=3 19693 B14R1.148 CC(O)COCCc1cccc(c1)Br 34a_100011217444_100011218427 [0,2,0,0,0,0|1,0,0]=3 19694 B14R1.148 CC(O)COCCc1cccc(c1)Br 7a_100011217444_100011218427 [0,2,0,0,0,0|1,0,0]=3 19695 B14R1.148 CC(O)COCCc1cccc(c1)Cl 34a_100000754733_100011218427 [0,2,0,0,0,0|1,0,0]=3 19696 B14R1.148 CC(O)COCCc1cccc(c1)Cl 7a_100000754733_100011218427 [0,2,0,0,0,0|1,0,0]=3 19697 B14R1.148 CC(O)COCCc1cccc(c1)F 34a_100000763591_100011218427 [0,2,0,0,0,0|1,0,0]=3 19698 B14R1.148 CC(O)COCCc1cccc(c1)F 7a_100000763591_100011218427 [0,2,0,0,0,0|1,0,0]=3 19699 B14R1.148 CC(O)COCCc1cccc(c1)N 34a_100011996697_100011218427 [0,2,0,0,0,0|1,0,0]=3 19700 B14R1.148 CC(O)COCCc1cccc(n1)Br 34a_100010221043_100011218427 [0,2,0,0,0,0|2,0,0]=4 19701 B14R1.148 CC(O)COCCc1cccc(n1)Br 7a_100010221043_100011218427 [0,2,0,0,0,0|2,0,0]=4 19702 B14R1.148 CC(O)CSCCc1cccc(c1)Br 62a_100011218427_100011740638 [0,2,0,0,0,0|1,0,0]=3 19703 B14R1.148 CC(O)CSCCc1cccc(c1)Br 62a_100011740638_100011218427 [0,2,0,0,0,0|1,0,0]=3 19704 B14R1.148 CC(O)CSCCc1cccc(c1)Cl 62a_100011218427_100011713710 [0,2,0,0,0,0|1,0,0]=3 19705 B14R1.148 CC(O)CSCCc1cccc(c1)Cl 62a_100011713710_100011218427 [0,2,0,0,0,0|1,0,0]=3 19706 B14R1.148 CC(O)CSCCc1cccc(c1)F 62a_100011217235_100011218427 [0,2,0,0,0,0|1,0,0]=3 19707 B14R1.148 CC(O)CSCCc1cccc(c1)F 62a_100011218427_100011217235 [0,2,0,0,0,0|1,0,0]=3 19708 B14R1.148 C[C@@H](Cl)COCCc1cccc(c1)Br 34a_100016084084_100011740638 [0,2,0,0,0,0|2,0,0]=4 19709 B14R1.148 C[C@@H](Cl)COCCc1cccc(c1)Cl 34a_100016084084_100011713710 [0,2,0,0,0,0|2,0,0]=4 19710 B14R1.148 C[C@@H](Cl)COCCc1cccc(c1)F 34a_100016084084_100011217235 [0,2,0,0,0,0|2,0,0]=4 19711 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)Br 34a_100000706166_100000698116 [0,2,0,0,0,0|2,0,0]=4 19712 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)Cl 34a_100000706166_100000187163 [0,2,0,0,0,0|2,0,0]=4 19713 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)F 34a_100000706166_100000187166 [0,2,0,0,0,0|2,0,0]=4 19714 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)I 34a_100000706166_100011218688 [0,2,0,0,0,0|2,0,0]=4 19715 B14R1.148 C[C@@H](N)CCOCc1cccc(c1)O 34a_100000706166_100011660834 [0,2,0,0,0,0|2,0,0]=4 19716 B14R1.148 C[C@@H](N)COCCc1cccc(c1)Br 34a_100000737577_100011740638 [0,2,0,0,0,0|2,0,0]=4 19717 B14R1.148 C[C@@H](N)COCCc1cccc(c1)Cl 34a_100000737577_100011713710 [0,2,0,0,0,0|2,0,0]=4 19718 B14R1.148 C[C@@H](N)COCCc1cccc(c1)F 34a_100000737577_100011217235 [0,2,0,0,0,0|2,0,0]=4 19719 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Br 2230a_100011207229_100009817552 [0,2,0,0,0,0|1,0,0]=3 19720 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Br 34a_100011207229_100009817552 [0,2,0,0,0,0|1,0,0]=3 19721 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Cl 2230a_100000185263_100009817552 [0,2,0,0,0,0|1,0,0]=3 19722 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)Cl 34a_100000185263_100009817552 [0,2,0,0,0,0|1,0,0]=3 19723 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)F 2230a_100000205154_100009817552 [0,2,0,0,0,0|1,0,0]=3 19724 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)F 34a_100000205154_100009817552 [0,2,0,0,0,0|1,0,0]=3 19725 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)O 2230a_100000747277_100009817552 [0,2,0,0,0,0|1,0,0]=3 19726 B14R1.148 C[C@@H](O)CNCCc1cccc(c1)O 34a_100000747277_100009817552 [0,2,0,0,0,0|1,0,0]=3 19727 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Br 34a_100011217444_100009817552 [0,2,0,0,0,0|1,0,0]=3 19728 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Br 7a_100011217444_100009817552 [0,2,0,0,0,0|1,0,0]=3 19729 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Cl 34a_100000754733_100009817552 [0,2,0,0,0,0|1,0,0]=3 19730 B14R1.148 C[C@@H](O)COCCc1cccc(c1)Cl 7a_100000754733_100009817552 [0,2,0,0,0,0|1,0,0]=3 19731 B14R1.148 C[C@@H](O)COCCc1cccc(c1)F 34a_100000763591_100009817552 [0,2,0,0,0,0|1,0,0]=3 19732 B14R1.148 C[C@@H](O)COCCc1cccc(c1)F 7a_100000763591_100009817552 [0,2,0,0,0,0|1,0,0]=3 19733 B14R1.148 C[C@@H](O)COCCc1cccc(c1)N 34a_100011996697_100009817552 [0,2,0,0,0,0|1,0,0]=3 19734 B14R1.148 C[C@@H](O)COCCc1cccc(n1)Br 34a_100010221043_100009817552 [0,2,0,0,0,0|2,0,0]=4 19735 B14R1.148 C[C@@H](O)COCCc1cccc(n1)Br 7a_100010221043_100009817552 [0,2,0,0,0,0|2,0,0]=4 19736 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Br 62a_100009817552_100011740638 [0,2,0,0,0,0|1,0,0]=3 19737 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Br 62a_100011740638_100009817552 [0,2,0,0,0,0|1,0,0]=3 19738 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Cl 62a_100009817552_100011713710 [0,2,0,0,0,0|1,0,0]=3 19739 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)Cl 62a_100011713710_100009817552 [0,2,0,0,0,0|1,0,0]=3 19740 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)F 62a_100009817552_100011217235 [0,2,0,0,0,0|1,0,0]=3 19741 B14R1.148 C[C@@H](O)CSCCc1cccc(c1)F 62a_100011217235_100009817552 [0,2,0,0,0,0|1,0,0]=3 19742 B14R1.148 Cc1cc(ccn1)CNCCC(C)O 207a_200000755665_100011361630 [0,2,0,0,0,0|2,0,0]=4 19743 B14R1.148 Cc1cc(ccn1)CNCCC(C)O 2230a_200000755665_200020672517 [0,2,0,0,0,0|2,0,0]=4 19744 B14R1.148 Cc1cc(ccn1)CNCCC(C)O 270004a_200000755665_100011361630 [0,2,0,0,0,0|2,0,0]=4 19745 B14R1.148 Cc1cc(ccn1)CNCCC(C)O 34a_100011934566_100012276601 [0,2,0,0,0,0|2,0,0]=4 19746 B14R1.148 Cc1cc(ccn1)COCCC(C)O 34a_100011998630_100012276601 [0,2,0,0,0,0|2,0,0]=4 19747 B14R1.148 Cc1cc(ccn1)CSCCC(C)O 62a_100012276601_200020672517 [0,2,0,0,0,0|2,0,0]=4 19748 B14R1.148 Cc1cc(ccn1)CSCCC(C)O 62a_200020672517_100012276601 [0,2,0,0,0,0|2,0,0]=4 19749 B14R1.148 Cc1cc(ccn1)OCCCC(C)O 34a_100000688365_200000718107 [0,2,0,0,0,0|2,0,0]=4 19750 B14R1.148 Cc1cc(ccn1)SCCCC(C)O 62a_100000758586_200000718107 [0,2,0,0,0,0|2,0,0]=4 19751 B14R1.148 Cc1cc(ccn1)SCCCC(C)O 62a_200000718107_100000758586 [0,2,0,0,0,0|2,0,0]=4 19752 B14R1.148 Cc1cccc(c1)CCCNC(C)C 2230a_103496528808_100000210206 [0,2,0,0,0,0|2,0,0]=4 19753 B14R1.148 Cc1cccc(c1)CCCNC(C)C 34a_103496528808_100000210206 [0,2,0,0,0,0|2,0,0]=4 19754 B14R1.148 Cc1cccc(c1)CCNCC(=O)O 269956a_100016091260_100011713685 [0,2,0,0,0,0|1,0,1]=4 19755 B14R1.148 Cc1cccc(c1)CCNCC(C)C 2230a_100000210953_100011713685 [0,2,0,0,0,0|2,0,0]=4 19756 B14R1.148 Cc1cccc(c1)CCNCC(C)C 2230a_100000749837_100000210760 [0,2,0,0,0,0|2,0,0]=4 19757 B14R1.148 Cc1cccc(c1)CCNCC(C)C 270004a_100000749837_100000210432 [0,2,0,0,0,0|2,0,0]=4 19758 B14R1.148 Cc1cccc(c1)CCNCC(C)C 34a_100000210953_100011713685 [0,2,0,0,0,0|2,0,0]=4 19759 B14R1.148 Cc1cccc(c1)CCNCC(C)C 34a_100000749837_100000210624 [0,2,0,0,0,0|2,0,0]=4 19760 B14R1.148 Cc1cccc(c1)CCNCC(C)O 2230a_100000210904_100011713685 [0,2,0,0,0,0|1,0,0]=3 19761 B14R1.148 Cc1cccc(c1)CCNCC(C)O 2230a_100000749837_100011218427 [0,2,0,0,0,0|1,0,0]=3 19762 B14R1.148 Cc1cccc(c1)CCNCC(C)O 34a_100000210904_100011713685 [0,2,0,0,0,0|1,0,0]=3 19763 B14R1.148 Cc1cccc(c1)CCNCC(C)O 34a_100000749837_100011218427 [0,2,0,0,0,0|1,0,0]=3 19764 B14R1.148 Cc1cccc(c1)CCNCC(F)F 2230a_100000749837_100011934356 [0,2,0,0,0,0|2,0,0]=4 19765 B14R1.148 Cc1cccc(c1)CCNCC(F)F 34a_100000749837_100011934356 [0,2,0,0,0,0|2,0,0]=4 19766 B14R1.148 Cc1cccc(c1)CCNCC(F)F 34a_100000765723_100011713685 [0,2,0,0,0,0|2,0,0]=4 19767 B14R1.148 Cc1cccc(c1)CCNC[C@@H](C)O 2230a_100000749837_100009817552 [0,2,0,0,0,0|1,0,0]=3 19768 B14R1.148 Cc1cccc(c1)CCNC[C@@H](C)O 34a_100000749837_100009817552 [0,2,0,0,0,0|1,0,0]=3 19769 B14R1.148 Cc1cccc(c1)CCOCC(C)Br 34a_100012180447_100011713685 [0,2,0,0,0,0|2,0,0]=4 19770 B14R1.148 Cc1cccc(c1)CCOCC(C)C 34a_100000210257_100011713685 [0,2,0,0,0,0|2,0,0]=4 19771 B14R1.148 Cc1cccc(c1)CCOCC(C)C 34a_100011217157_100000210624 [0,2,0,0,0,0|2,0,0]=4 19772 B14R1.148 Cc1cccc(c1)CCOCC(C)C 7a_100011217157_100000210760 [0,2,0,0,0,0|2,0,0]=4 19773 B14R1.148 Cc1cccc(c1)CCOCC(C)F 34a_100015925927_100011713685 [0,2,0,0,0,0|2,0,0]=4 19774 B14R1.148 Cc1cccc(c1)CCOCC(C)O 34a_100011217157_100011218427 [0,2,0,0,0,0|1,0,0]=3 19775 B14R1.148 Cc1cccc(c1)CCOCC(C)O 7a_100011217157_100011218427 [0,2,0,0,0,0|1,0,0]=3 19776 B14R1.148 Cc1cccc(c1)CCOCC(F)F 34a_100000743014_100011713685 [0,2,0,0,0,0|2,0,0]=4 19777 B14R1.148 Cc1cccc(c1)CCOCC(F)F 34a_100011217157_100011934356 [0,2,0,0,0,0|2,0,0]=4 19778 B14R1.148 Cc1cccc(c1)CCOCC(F)F 7a_100011217157_100011934356 [0,2,0,0,0,0|2,0,0]=4 19779 B14R1.148 Cc1cccc(c1)CCOC[C@@H](C)Cl 34a_100016084084_100011713685 [0,2,0,0,0,0|2,0,0]=4 19780 B14R1.148 Cc1cccc(c1)CCOC[C@@H](C)N 34a_100000737577_100011713685 [0,2,0,0,0,0|2,0,0]=4 19781 B14R1.148 Cc1cccc(c1)CCOC[C@@H](C)O 34a_100011217157_100009817552 [0,2,0,0,0,0|1,0,0]=3 19782 B14R1.148 Cc1cccc(c1)CCOC[C@@H](C)O 7a_100011217157_100009817552 [0,2,0,0,0,0|1,0,0]=3 19783 B14R1.148 Cc1cccc(c1)CCSCC(C)C 62a_100000210624_100011713685 [0,2,0,0,0,0|2,0,0]=4 19784 B14R1.148 Cc1cccc(c1)CCSCC(C)C 62a_100011713685_100000210760 [0,2,0,0,0,0|2,0,0]=4 19785 B14R1.148 Cc1cccc(c1)CCSCC(C)O 62a_100011218427_100011713685 [0,2,0,0,0,0|1,0,0]=3 19786 B14R1.148 Cc1cccc(c1)CCSCC(C)O 62a_100011713685_100011218427 [0,2,0,0,0,0|1,0,0]=3 19787 B14R1.148 Cc1cccc(c1)CCSCC(F)F 62a_100011713685_100011934356 [0,2,0,0,0,0|2,0,0]=4 19788 B14R1.148 Cc1cccc(c1)CCSCC(F)F 62a_100011934356_100011713685 [0,2,0,0,0,0|2,0,0]=4 19789 B14R1.148 Cc1cccc(c1)CCSC[C@@H](C)O 62a_100009817552_100011713685 [0,2,0,0,0,0|1,0,0]=3 19790 B14R1.148 Cc1cccc(c1)CCSC[C@@H](C)O 62a_100011713685_100009817552 [0,2,0,0,0,0|1,0,0]=3 19791 B14R1.148 Cc1cccc(c1)CNCCC(C)C 207a_100000210545_100000211157 [0,2,0,0,0,0|2,0,0]=4 19792 B14R1.148 Cc1cccc(c1)CNCCC(C)C 2230a_100000185548_100000210312 [0,2,0,0,0,0|2,0,0]=4 19793 B14R1.148 Cc1cccc(c1)CNCCC(C)C 269862a_100000185548_100000185833 [0,2,0,0,0,0|2,0,0]=4 19794 B14R1.148 Cc1cccc(c1)CNCCC(C)C 270004a_100000210545_100000211157 [0,2,0,0,0,0|2,0,0]=4 19795 B14R1.148 Cc1cccc(c1)CNCCC(C)C 34a_100000185548_100000210312 [0,2,0,0,0,0|2,0,0]=4 19796 B14R1.148 Cc1cccc(c1)CNCCC(C)O 207a_200000755665_100000211157 [0,2,0,0,0,0|1,0,0]=3 19797 B14R1.148 Cc1cccc(c1)CNCCC(C)O 2230a_100000185548_100012276601 [0,2,0,0,0,0|1,0,0]=3 19798 B14R1.148 Cc1cccc(c1)CNCCC(C)O 2230a_200000755665_100000211840 [0,2,0,0,0,0|1,0,0]=3 19799 B14R1.148 Cc1cccc(c1)CNCCC(C)O 270004a_200000755665_100000211157 [0,2,0,0,0,0|1,0,0]=3 19800 B14R1.148 Cc1cccc(c1)CNCCC(C)O 34a_100000185548_100012276601 [0,2,0,0,0,0|1,0,0]=3 19801 B14R1.148 Cc1cccc(c1)COCCC(C)Br 34a_100009893172_100000211840 [0,2,0,0,0,0|2,0,0]=4 19802 B14R1.148 Cc1cccc(c1)COCCC(C)C 34a_100000210254_100000211840 [0,2,0,0,0,0|2,0,0]=4 19803 B14R1.148 Cc1cccc(c1)COCCC(C)C 34a_100011217746_100000210312 [0,2,0,0,0,0|2,0,0]=4 19804 B14R1.148 Cc1cccc(c1)COCCC(C)C 7a_100000210254_100000211840 [0,2,0,0,0,0|2,0,0]=4 19805 B14R1.148 Cc1cccc(c1)COCCC(C)C 7a_100011217746_100000210626 [0,2,0,0,0,0|2,0,0]=4 19806 B14R1.148 Cc1cccc(c1)COCCC(C)O 34a_100011217746_100012276601 [0,2,0,0,0,0|1,0,0]=3 19807 B14R1.148 Cc1cccc(c1)COCCC(C)O 7a_100011217746_100012276601 [0,2,0,0,0,0|1,0,0]=3 19808 B14R1.148 Cc1cccc(c1)COCCC(F)F 34a_100103093639_100000211840 [0,2,0,0,0,0|2,0,0]=4 19809 B14R1.148 Cc1cccc(c1)COCC[C@@H](C)N 34a_100000706166_100000211840 [0,2,0,0,0,0|2,0,0]=4 19810 B14R1.148 Cc1cccc(c1)CSCCC(C)C 62a_100000210312_100000211840 [0,2,0,0,0,0|2,0,0]=4 19811 B14R1.148 Cc1cccc(c1)CSCCC(C)C 62a_100000211840_100000210312 [0,2,0,0,0,0|2,0,0]=4 19812 B14R1.148 Cc1cccc(c1)CSCCC(C)O 62a_100000211840_100012276601 [0,2,0,0,0,0|1,0,0]=3 19813 B14R1.148 Cc1cccc(c1)CSCCC(C)O 62a_100012276601_100000211840 [0,2,0,0,0,0|1,0,0]=3 19814 B14R1.148 Cc1cccc(c1)NCCCC(C)C 2230a_100000188690_100011214892 [0,2,0,0,0,0|2,0,0]=4 19815 B14R1.148 Cc1cccc(c1)NCCCC(C)C 34a_100000188690_100011214892 [0,2,0,0,0,0|2,0,0]=4 19816 B14R1.148 Cc1cccc(c1)NCCCC(C)O 2230a_100000188690_200000718107 [0,2,0,0,0,0|1,0,0]=3 19817 B14R1.148 Cc1cccc(c1)NCCCC(C)O 34a_100000188690_200000718107 [0,2,0,0,0,0|1,0,0]=3 19818 B14R1.148 Cc1cccc(c1)OCCCC(C)C 34a_100000210337_100011214892 [0,2,0,0,0,0|2,0,0]=4 19819 B14R1.148 Cc1cccc(c1)OCCCC(C)C 7a_100000210337_100011214892 [0,2,0,0,0,0|2,0,0]=4 19820 B14R1.148 Cc1cccc(c1)OCCCC(C)O 34a_100000210337_200000718107 [0,2,0,0,0,0|1,0,0]=3 19821 B14R1.148 Cc1cccc(c1)OCCCC(C)O 7a_100000210337_200000718107 [0,2,0,0,0,0|1,0,0]=3 19822 B14R1.148 Cc1cccc(c1)SCCCC(C)C 62a_100011214892_100011215228 [0,2,0,0,0,0|2,0,0]=4 19823 B14R1.148 Cc1cccc(c1)SCCCC(C)C 62a_100011215228_100011214892 [0,2,0,0,0,0|2,0,0]=4 19824 B14R1.148 Cc1cccc(c1)SCCCC(C)O 62a_100011215228_200000718107 [0,2,0,0,0,0|1,0,0]=3 19825 B14R1.148 Cc1cccc(c1)SCCCC(C)O 62a_200000718107_100011215228 [0,2,0,0,0,0|1,0,0]=3 19826 B14R1.148 Cc1cccc(n1)CCNCC(C)O 2230a_100011824523_100011218427 [0,2,0,0,0,0|2,0,0]=4 19827 B14R1.148 Cc1cccc(n1)CCNCC(C)O 34a_100011824523_100011218427 [0,2,0,0,0,0|2,0,0]=4 19828 B14R1.148 Cc1cccc(n1)CCNC[C@@H](C)O 2230a_100011824523_100009817552 [0,2,0,0,0,0|2,0,0]=4 19829 B14R1.148 Cc1cccc(n1)CCNC[C@@H](C)O 34a_100011824523_100009817552 [0,2,0,0,0,0|2,0,0]=4 19830 B14R1.148 Cc1cccc(n1)CNCCC(C)O 207a_200000755665_100011215050 [0,2,0,0,0,0|2,0,0]=4 19831 B14R1.148 Cc1cccc(n1)CNCCC(C)O 2230a_200000755665_100000757606 [0,2,0,0,0,0|2,0,0]=4 19832 B14R1.148 Cc1cccc(n1)CNCCC(C)O 270004a_200000755665_100011215050 [0,2,0,0,0,0|2,0,0]=4 19833 B14R1.148 Cc1cccc(n1)CNCCC(C)O 34a_100000701342_100012276601 [0,2,0,0,0,0|2,0,0]=4 19834 B14R1.148 Cc1cccc(n1)COCCC(C)O 34a_100000690600_100012276601 [0,2,0,0,0,0|2,0,0]=4 19835 B14R1.148 Cc1cccc(n1)CSCCC(C)O 62a_100000757606_100012276601 [0,2,0,0,0,0|2,0,0]=4 19836 B14R1.148 Cc1cccc(n1)CSCCC(C)O 62a_100012276601_100000757606 [0,2,0,0,0,0|2,0,0]=4 19837 B14R1.148 Cc1cccc(n1)SCCCC(C)O 62a_100000742759_200000718107 [0,2,0,0,0,0|2,0,0]=4 19838 B14R1.148 Cc1cccc(n1)SCCCC(C)O 62a_200000718107_100000742759 [0,2,0,0,0,0|2,0,0]=4 19839 B14R1.148 Cc1ccnc(c1)CNCCC(C)O 207a_200000755665_100011361488 [0,2,0,0,0,0|2,0,0]=4 19840 B14R1.148 Cc1ccnc(c1)CNCCC(C)O 2230a_200000755665_100000718516 [0,2,0,0,0,0|2,0,0]=4 19841 B14R1.148 Cc1ccnc(c1)CNCCC(C)O 270004a_200000755665_100011361488 [0,2,0,0,0,0|2,0,0]=4 19842 B14R1.148 Cc1ccnc(c1)COCCC(C)O 34a_100011998357_100012276601 [0,2,0,0,0,0|2,0,0]=4 19843 B14R1.148 Cc1ccnc(c1)CSCCC(C)O 62a_100000718516_100012276601 [0,2,0,0,0,0|2,0,0]=4 19844 B14R1.148 Cc1ccnc(c1)CSCCC(C)O 62a_100012276601_100000718516 [0,2,0,0,0,0|2,0,0]=4 19845 B14R1.148 Cc1ccnc(c1)SCCCC(C)O 62a_100000750283_200000718107 [0,2,0,0,0,0|2,0,0]=4 19846 B14R1.148 Cc1ccnc(c1)SCCCC(C)O 62a_200000718107_100000750283 [0,2,0,0,0,0|2,0,0]=4 19847 B14R1.148 Cc1cncc(c1)CNCCC(C)O 207a_200000755665_100011998712 [0,2,0,0,0,0|2,0,0]=4 19848 B14R1.148 Cc1cncc(c1)CNCCC(C)O 2230a_100000692839_100012276601 [0,2,0,0,0,0|2,0,0]=4 19849 B14R1.148 Cc1cncc(c1)CNCCC(C)O 2230a_200000755665_100000716715 [0,2,0,0,0,0|2,0,0]=4 19850 B14R1.148 Cc1cncc(c1)CNCCC(C)O 270004a_200000755665_100011998712 [0,2,0,0,0,0|2,0,0]=4 19851 B14R1.148 Cc1cncc(c1)CNCCC(C)O 34a_100000692839_100012276601 [0,2,0,0,0,0|2,0,0]=4 19852 B14R1.148 Cc1cncc(c1)COCCC(C)O 34a_100011998709_100012276601 [0,2,0,0,0,0|2,0,0]=4 19853 B14R1.148 Cc1cncc(c1)COCCC(C)O 7a_100011998709_100012276601 [0,2,0,0,0,0|2,0,0]=4 19854 B14R1.148 Cc1cncc(c1)CSCCC(C)O 62a_100000716715_100012276601 [0,2,0,0,0,0|2,0,0]=4 19855 B14R1.148 Cc1cncc(c1)CSCCC(C)O 62a_100012276601_100000716715 [0,2,0,0,0,0|2,0,0]=4 19856 B14R1.148 Cc1cncc(c1)OCCCC(C)O 34a_100011830280_200000718107 [0,2,0,0,0,0|2,0,0]=4 19857 B14R1.148 Cc1cncc(c1)OCCCC(C)O 7a_100011830280_200000718107 [0,2,0,0,0,0|2,0,0]=4 19858 B14R1.148 Cc1cncc(c1)SCCCC(C)O 62a_100000760492_200000718107 [0,2,0,0,0,0|2,0,0]=4 19859 B14R1.148 Cc1cncc(c1)SCCCC(C)O 62a_200000718107_100000760492 [0,2,0,0,0,0|2,0,0]=4 19860 B14R1.148 FC(F)CCOCc1cccc(c1)Br 34a_100103093639_100000698116 [0,2,0,0,0,0|2,0,0]=4 19861 B14R1.148 FC(F)CCOCc1cccc(c1)Cl 34a_100103093639_100000187163 [0,2,0,0,0,0|2,0,0]=4 19862 B14R1.148 FC(F)CCOCc1cccc(c1)I 34a_100103093639_100011218688 [0,2,0,0,0,0|2,0,0]=4 19863 B14R1.148 FC(F)CNCCc1cccc(c1)Br 2230a_100011207229_100011934356 [0,2,0,0,0,0|2,0,0]=4 19864 B14R1.148 FC(F)CNCCc1cccc(c1)Br 34a_100000765723_100011740638 [0,2,0,0,0,0|2,0,0]=4 19865 B14R1.148 FC(F)CNCCc1cccc(c1)Br 34a_100011207229_100011934356 [0,2,0,0,0,0|2,0,0]=4 19866 B14R1.148 FC(F)CNCCc1cccc(c1)Cl 2230a_100000185263_100011934356 [0,2,0,0,0,0|2,0,0]=4 19867 B14R1.148 FC(F)CNCCc1cccc(c1)Cl 34a_100000185263_100011934356 [0,2,0,0,0,0|2,0,0]=4 19868 B14R1.148 FC(F)CNCCc1cccc(c1)Cl 34a_100000765723_100011713710 [0,2,0,0,0,0|2,0,0]=4 19869 B14R1.148 FC(F)COCCc1cccc(c1)Br 34a_100000743014_100011740638 [0,2,0,0,0,0|2,0,0]=4 19870 B14R1.148 FC(F)COCCc1cccc(c1)Br 34a_100011217444_100011934356 [0,2,0,0,0,0|2,0,0]=4 19871 B14R1.148 FC(F)COCCc1cccc(c1)Br 7a_100011217444_100011934356 [0,2,0,0,0,0|2,0,0]=4 19872 B14R1.148 FC(F)COCCc1cccc(c1)Cl 34a_100000743014_100011713710 [0,2,0,0,0,0|2,0,0]=4 19873 B14R1.148 FC(F)COCCc1cccc(c1)Cl 34a_100000754733_100011934356 [0,2,0,0,0,0|2,0,0]=4 19874 B14R1.148 FC(F)COCCc1cccc(c1)Cl 7a_100000754733_100011934356 [0,2,0,0,0,0|2,0,0]=4 19875 B14R1.148 FC(F)CSCCc1cccc(c1)Br 62a_100011740638_100011934356 [0,2,0,0,0,0|2,0,0]=4 19876 B14R1.148 FC(F)CSCCc1cccc(c1)Br 62a_100011934356_100011740638 [0,2,0,0,0,0|2,0,0]=4 19877 B14R1.148 FC(F)CSCCc1cccc(c1)Cl 62a_100011713710_100011934356 [0,2,0,0,0,0|2,0,0]=4 19878 B14R1.148 FC(F)CSCCc1cccc(c1)Cl 62a_100011934356_100011713710 [0,2,0,0,0,0|2,0,0]=4 19879 B14R1.148 Fc1cccc(c1)CCNCC(F)F 2230a_100000205154_100011934356 [0,2,0,0,0,0|2,0,0]=4 19880 B14R1.148 Fc1cccc(c1)CCNCC(F)F 34a_100000205154_100011934356 [0,2,0,0,0,0|2,0,0]=4 19881 B14R1.148 Fc1cccc(c1)CCNCC(F)F 34a_100000765723_100011217235 [0,2,0,0,0,0|2,0,0]=4 19882 B14R1.148 Fc1cccc(c1)CCOCC(F)F 34a_100000743014_100011217235 [0,2,0,0,0,0|2,0,0]=4 19883 B14R1.148 Fc1cccc(c1)CCOCC(F)F 34a_100000763591_100011934356 [0,2,0,0,0,0|2,0,0]=4 19884 B14R1.148 Fc1cccc(c1)CCOCC(F)F 7a_100000763591_100011934356 [0,2,0,0,0,0|2,0,0]=4 19885 B14R1.148 Fc1cccc(c1)CCSCC(F)F 62a_100011217235_100011934356 [0,2,0,0,0,0|2,0,0]=4 19886 B14R1.148 Fc1cccc(c1)CCSCC(F)F 62a_100011934356_100011217235 [0,2,0,0,0,0|2,0,0]=4 19887 B14R1.148 Fc1cccc(c1)COCCC(F)F 34a_100103093639_100000187166 [0,2,0,0,0,0|2,0,0]=4 19888 B14R1.148 Nc1cccc(c1)CCOCC(F)F 34a_100011996697_100011934356 [0,2,0,0,0,0|2,0,0]=4 19889 B14R1.148 O=C(O)CNCCc1cccc(c1)Br 269956a_100016091260_100011740638 [0,2,0,0,0,0|1,0,1]=4 19890 B14R1.148 O=C(O)CNCCc1cccc(c1)Cl 269956a_100016091260_100011713710 [0,2,0,0,0,0|1,0,1]=4 19891 B14R1.148 O=C(O)CNCCc1cccc(c1)F 269956a_100016091260_100011217235 [0,2,0,0,0,0|1,0,1]=4 19892 B14R1.148 Oc1cccc(c1)CCNCC(F)F 2230a_100000747277_100011934356 [0,2,0,0,0,0|2,0,0]=4 19893 B14R1.148 Oc1cccc(c1)CCNCC(F)F 34a_100000747277_100011934356 [0,2,0,0,0,0|2,0,0]=4 19894 B14R1.148 Oc1cccc(c1)COCCC(F)F 34a_100103093639_100011660834 [0,2,0,0,0,0|2,0,0]=4 19895 B14R1.148 [13CH3]C(=O)CCCCc1cccc(c1)Br 1458a_200010160685_200025704644 [0,2,0,0,0,0|0,0,2]=4 19896 B14R1.218 BrCCCOCc1cc(ccc1Br)Br 34a_100011217188_100011982794 [0,2,0,0,0,0|2,0,0]=4 19897 B14R1.218 BrCCCOCc1cc(ccc1Br)I 34a_100011217188_100012355412 [0,2,0,0,0,0|2,0,0]=4 19898 B14R1.218 BrCCCOCc1cc(ccc1I)Br 34a_100011217188_100012362523 [0,2,0,0,0,0|2,0,0]=4 19899 B14R1.218 CCCCCNc1cc(ccc1Br)Br 34a_100000737762_100000718602 [0,2,0,0,0,0|2,0,0]=4 19900 B14R1.218 CCCCCNc1cc(ccc1Br)C 34a_100000745044_100000718602 [0,2,0,0,0,0|2,0,0]=4 19901 B14R1.218 CCCCCNc1cc(ccc1Br)Cl 34a_100000687073_100000718602 [0,2,0,0,0,0|2,0,0]=4 19902 B14R1.218 CCCCCNc1cc(ccc1Br)F 34a_100000687223_100000718602 [0,2,0,0,0,0|2,0,0]=4 19903 B14R1.218 CCCCCNc1cc(ccc1Br)O 34a_100011999798_100000718602 [0,2,0,0,0,0|2,0,0]=4 19904 B14R1.218 CCCCCNc1cc(ccc1C)Br 34a_100000741167_100000718602 [0,2,0,0,0,0|2,0,0]=4 19905 B14R1.218 CCCCCNc1cc(ccc1C)Br 7a_100000741167_100000210326 [0,2,0,0,0,0|2,0,0]=4 19906 B14R1.218 CCCCCNc1cc(ccc1C)C 2230a_100000185781_100000210326 [0,2,0,0,0,0|2,0,0]=4 19907 B14R1.218 CCCCCNc1cc(ccc1C)C 34a_100000185781_100000718602 [0,2,0,0,0,0|2,0,0]=4 19908 B14R1.218 CCCCCNc1cc(ccc1C)C 7a_100000185781_100000210326 [0,2,0,0,0,0|2,0,0]=4 19909 B14R1.218 CCCCCNc1cc(ccc1C)Cl 34a_100000211374_100000718602 [0,2,0,0,0,0|2,0,0]=4 19910 B14R1.218 CCCCCNc1cc(ccc1C)Cl 7a_100000211374_100000210326 [0,2,0,0,0,0|2,0,0]=4 19911 B14R1.218 CCCCCNc1cc(ccc1C)F 34a_100000211107_100000718602 [0,2,0,0,0,0|2,0,0]=4 19912 B14R1.218 CCCCCNc1cc(ccc1C)F 7a_100000211107_100000210326 [0,2,0,0,0,0|2,0,0]=4 19913 B14R1.218 CCCCCNc1cc(ccc1C)I 7a_100000761890_100000210326 [0,2,0,0,0,0|2,0,0]=4 19914 B14R1.218 CCCCCNc1cc(ccc1C)O 34a_100011216113_100000718602 [0,2,0,0,0,0|2,0,0]=4 19915 B14R1.218 CCCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000718602 [0,2,0,0,0,0|2,0,0]=4 19916 B14R1.218 CCCCCNc1cc(ccc1Cl)C 34a_100011215360_100000718602 [0,2,0,0,0,0|2,0,0]=4 19917 B14R1.218 CCCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000718602 [0,2,0,0,0,0|2,0,0]=4 19918 B14R1.218 CCCCCNc1cc(ccc1Cl)F 34a_100000751338_100000718602 [0,2,0,0,0,0|2,0,0]=4 19919 B14R1.218 CCCCCNc1cc(ccc1Cl)I 34a_200000761891_100000718602 [0,2,0,0,0,0|2,0,0]=4 19920 B14R1.218 CCCCCNc1cc(ccc1Cl)O 34a_100011934297_100000718602 [0,2,0,0,0,0|2,0,0]=4 19921 B14R1.218 CCCCCNc1cc(ccc1F)Br 34a_100000740924_100000718602 [0,2,0,0,0,0|2,0,0]=4 19922 B14R1.218 CCCCCNc1cc(ccc1F)C 34a_100000211285_100000718602 [0,2,0,0,0,0|2,0,0]=4 19923 B14R1.218 CCCCCNc1cc(ccc1F)Cl 34a_100000212115_100000718602 [0,2,0,0,0,0|2,0,0]=4 19924 B14R1.218 CCCCCNc1cc(ccc1F)F 34a_100000210742_100000718602 [0,2,0,0,0,0|2,0,0]=4 19925 B14R1.218 CCCCCNc1cc(ccc1F)I 34a_100011464823_100000718602 [0,2,0,0,0,0|2,0,0]=4 19926 B14R1.218 CCCCCNc1cc(ccc1F)O 34a_100012017239_100000718602 [0,2,0,0,0,0|2,0,0]=4 19927 B14R1.218 CCCCCNc1cc(ccc1I)Br 34a_100000743836_100000718602 [0,2,0,0,0,0|2,0,0]=4 19928 B14R1.218 CCCCCNc1cc(ccc1I)C 34a_100011216686_100000718602 [0,2,0,0,0,0|2,0,0]=4 19929 B14R1.218 CCCCCNc1cc(ccc1I)Cl 34a_100000761886_100000718602 [0,2,0,0,0,0|2,0,0]=4 19930 B14R1.218 CCCCCNc1cc(ccc1I)F 34a_100011218093_100000718602 [0,2,0,0,0,0|2,0,0]=4 19931 B14R1.218 CCCCCNc1cc(ccc1O)Br 34a_100000752626_100000718602 [0,2,0,0,0,0|2,0,0]=4 19932 B14R1.218 CCCCCNc1cc(ccc1O)C 34a_100011215204_100000718602 [0,2,0,0,0,0|2,0,0]=4 19933 B14R1.218 CCCCCNc1cc(ccc1O)Cl 34a_100000210500_100000718602 [0,2,0,0,0,0|2,0,0]=4 19934 B14R1.218 CCCCCNc1cc(ccc1O)F 34a_100000759472_100000718602 [0,2,0,0,0,0|2,0,0]=4 19935 B14R1.218 CCCCCOc1cc(ccc1Br)Br 34a_100011220040_100000718602 [0,2,0,0,0,0|2,0,0]=4 19936 B14R1.218 CCCCCOc1cc(ccc1Br)Br 7a_100011220040_100000210326 [0,2,0,0,0,0|2,0,0]=4 19937 B14R1.218 CCCCCOc1cc(ccc1Br)C 34a_100012002257_100000718602 [0,2,0,0,0,0|2,0,0]=4 19938 B14R1.218 CCCCCOc1cc(ccc1Br)C 7a_100012002257_100000210326 [0,2,0,0,0,0|2,0,0]=4 19939 B14R1.218 CCCCCOc1cc(ccc1Br)Cl 34a_100012339455_100000718602 [0,2,0,0,0,0|2,0,0]=4 19940 B14R1.218 CCCCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210326 [0,2,0,0,0,0|2,0,0]=4 19941 B14R1.218 CCCCCOc1cc(ccc1Br)F 34a_100000690578_100000718602 [0,2,0,0,0,0|2,0,0]=4 19942 B14R1.218 CCCCCOc1cc(ccc1Br)F 7a_100000690578_100000210326 [0,2,0,0,0,0|2,0,0]=4 19943 B14R1.218 CCCCCOc1cc(ccc1Br)I 34a_100012356990_100000718602 [0,2,0,0,0,0|2,0,0]=4 19944 B14R1.218 CCCCCOc1cc(ccc1Br)I 7a_100012356990_100000210326 [0,2,0,0,0,0|2,0,0]=4 19945 B14R1.218 CCCCCOc1cc(ccc1C)Br 34a_100000685420_100000718602 [0,2,0,0,0,0|2,0,0]=4 19946 B14R1.218 CCCCCOc1cc(ccc1C)Br 7a_100000685420_100000210326 [0,2,0,0,0,0|2,0,0]=4 19947 B14R1.218 CCCCCOc1cc(ccc1C)C 34a_100000210931_100000718602 [0,2,0,0,0,0|2,0,0]=4 19948 B14R1.218 CCCCCOc1cc(ccc1C)C 7a_100000210931_100000210326 [0,2,0,0,0,0|2,0,0]=4 19949 B14R1.218 CCCCCOc1cc(ccc1C)Cl 34a_100000756515_100000718602 [0,2,0,0,0,0|2,0,0]=4 19950 B14R1.218 CCCCCOc1cc(ccc1C)Cl 7a_100000756515_100000210326 [0,2,0,0,0,0|2,0,0]=4 19951 B14R1.218 CCCCCOc1cc(ccc1C)F 34a_100000690566_100000718602 [0,2,0,0,0,0|2,0,0]=4 19952 B14R1.218 CCCCCOc1cc(ccc1C)F 7a_100000690566_100000210326 [0,2,0,0,0,0|2,0,0]=4 19953 B14R1.218 CCCCCOc1cc(ccc1C)I 7a_100000766334_100000210326 [0,2,0,0,0,0|2,0,0]=4 19954 B14R1.218 CCCCCOc1cc(ccc1C)N 34a_100000759471_100000718602 [0,2,0,0,0,0|2,0,0]=4 19955 B14R1.218 CCCCCOc1cc(ccc1C)N 7a_100000759471_100000210326 [0,2,0,0,0,0|2,0,0]=4 19956 B14R1.218 CCCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000718602 [0,2,0,0,0,0|2,0,0]=4 19957 B14R1.218 CCCCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210326 [0,2,0,0,0,0|2,0,0]=4 19958 B14R1.218 CCCCCOc1cc(ccc1Cl)C 34a_100000211493_100000718602 [0,2,0,0,0,0|2,0,0]=4 19959 B14R1.218 CCCCCOc1cc(ccc1Cl)C 7a_100000211493_100000210326 [0,2,0,0,0,0|2,0,0]=4 19960 B14R1.218 CCCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000718602 [0,2,0,0,0,0|2,0,0]=4 19961 B14R1.218 CCCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210326 [0,2,0,0,0,0|2,0,0]=4 19962 B14R1.218 CCCCCOc1cc(ccc1Cl)F 34a_100000692107_100000718602 [0,2,0,0,0,0|2,0,0]=4 19963 B14R1.218 CCCCCOc1cc(ccc1Cl)F 7a_100000692107_100000210326 [0,2,0,0,0,0|2,0,0]=4 19964 B14R1.218 CCCCCOc1cc(ccc1Cl)I 34a_100011356854_100000718602 [0,2,0,0,0,0|2,0,0]=4 19965 B14R1.218 CCCCCOc1cc(ccc1Cl)I 7a_100011356854_100000210326 [0,2,0,0,0,0|2,0,0]=4 19966 B14R1.218 CCCCCOc1cc(ccc1Cl)N 34a_100011934209_100000718602 [0,2,0,0,0,0|2,0,0]=4 19967 B14R1.218 CCCCCOc1cc(ccc1F)Br 34a_100000686035_100000718602 [0,2,0,0,0,0|2,0,0]=4 19968 B14R1.218 CCCCCOc1cc(ccc1F)Br 7a_100000686035_100000210326 [0,2,0,0,0,0|2,0,0]=4 19969 B14R1.218 CCCCCOc1cc(ccc1F)C 34a_100000759540_100000718602 [0,2,0,0,0,0|2,0,0]=4 19970 B14R1.218 CCCCCOc1cc(ccc1F)C 7a_100000759540_100000210326 [0,2,0,0,0,0|2,0,0]=4 19971 B14R1.218 CCCCCOc1cc(ccc1F)Cl 34a_100000757397_100000718602 [0,2,0,0,0,0|2,0,0]=4 19972 B14R1.218 CCCCCOc1cc(ccc1F)Cl 7a_100000757397_100000210326 [0,2,0,0,0,0|2,0,0]=4 19973 B14R1.218 CCCCCOc1cc(ccc1F)F 34a_100000752141_100000718602 [0,2,0,0,0,0|2,0,0]=4 19974 B14R1.218 CCCCCOc1cc(ccc1F)F 7a_100000752141_100000210326 [0,2,0,0,0,0|2,0,0]=4 19975 B14R1.218 CCCCCOc1cc(ccc1F)I 34a_100009958187_100000718602 [0,2,0,0,0,0|2,0,0]=4 19976 B14R1.218 CCCCCOc1cc(ccc1F)I 7a_100009958187_100000210326 [0,2,0,0,0,0|2,0,0]=4 19977 B14R1.218 CCCCCOc1cc(ccc1F)N 34a_100012017398_100000718602 [0,2,0,0,0,0|2,0,0]=4 19978 B14R1.218 CCCCCOc1cc(ccc1F)N 7a_100012017398_100000210326 [0,2,0,0,0,0|2,0,0]=4 19979 B14R1.218 CCCCCOc1cc(ccc1I)Br 34a_100012344904_100000718602 [0,2,0,0,0,0|2,0,0]=4 19980 B14R1.218 CCCCCOc1cc(ccc1I)Br 7a_100012344904_100000210326 [0,2,0,0,0,0|2,0,0]=4 19981 B14R1.218 CCCCCOc1cc(ccc1I)Cl 34a_100000050036_100000718602 [0,2,0,0,0,0|2,0,0]=4 19982 B14R1.218 CCCCCOc1cc(ccc1I)Cl 7a_100000050036_100000210326 [0,2,0,0,0,0|2,0,0]=4 19983 B14R1.218 CCCCCOc1cc(ccc1I)F 34a_100010084537_100000718602 [0,2,0,0,0,0|2,0,0]=4 19984 B14R1.218 CCCCCOc1cc(ccc1I)F 7a_100010084537_100000210326 [0,2,0,0,0,0|2,0,0]=4 19985 B14R1.218 CCCCCOc1cc(ccc1N)Br 34a_100000739049_100000718602 [0,2,0,0,0,0|2,0,0]=4 19986 B14R1.218 CCCCCOc1cc(ccc1N)Br 7a_100000739049_100000210326 [0,2,0,0,0,0|2,0,0]=4 19987 B14R1.218 CCCCCOc1cc(ccc1N)C 34a_100000211527_100000718602 [0,2,0,0,0,0|2,0,0]=4 19988 B14R1.218 CCCCCOc1cc(ccc1N)C 7a_100000211527_100000210326 [0,2,0,0,0,0|2,0,0]=4 19989 B14R1.218 CCCCCOc1cc(ccc1N)Cl 34a_100000185728_100000718602 [0,2,0,0,0,0|2,0,0]=4 19990 B14R1.218 CCCCCOc1cc(ccc1N)Cl 7a_100000185728_100000210326 [0,2,0,0,0,0|2,0,0]=4 19991 B14R1.218 CCCCCOc1cc(ccc1N)F 34a_100000753323_100000718602 [0,2,0,0,0,0|2,0,0]=4 19992 B14R1.218 CCCCCOc1cc(ccc1N)F 7a_100000753323_100000210326 [0,2,0,0,0,0|2,0,0]=4 19993 B14R1.218 CCCCCOc1cc(ccc1N)I 34a_100000057187_100000718602 [0,2,0,0,0,0|2,0,0]=4 19994 B14R1.218 CCCCCOc1cc(ccc1N)I 7a_100000057187_100000210326 [0,2,0,0,0,0|2,0,0]=4 19995 B14R1.218 CCCCCOc1cc(ccc1N)N 34a_100025717382_100000718602 [0,2,0,0,0,0|2,0,0]=4 19996 B14R1.218 CCCCCSc1cc(ccc1Br)Br 62a_100000210326_100011483371 [0,2,0,0,0,0|2,0,0]=4 19997 B14R1.218 CCCCCSc1cc(ccc1Br)Br 62a_100011483371_100000210326 [0,2,0,0,0,0|2,0,0]=4 19998 B14R1.218 CCCCCSc1cc(ccc1Br)C 62a_100000210326_100012353751 [0,2,0,0,0,0|2,0,0]=4 19999 B14R1.218 CCCCCSc1cc(ccc1Br)C 62a_100012353751_100000210326 [0,2,0,0,0,0|2,0,0]=4 20000 B14R1.218 CCCCCSc1cc(ccc1Br)Cl 62a_100000210326_100012339723 [0,2,0,0,0,0|2,0,0]=4 20001 B14R1.218 CCCCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210326 [0,2,0,0,0,0|2,0,0]=4 20002 B14R1.218 CCCCCSc1cc(ccc1Br)F 62a_100000210326_100011217576 [0,2,0,0,0,0|2,0,0]=4 20003 B14R1.218 CCCCCSc1cc(ccc1Br)F 62a_100011217576_100000210326 [0,2,0,0,0,0|2,0,0]=4 20004 B14R1.218 CCCCCSc1cc(ccc1Br)N 62a_100000210326_100000750459 [0,2,0,0,0,0|2,0,0]=4 20005 B14R1.218 CCCCCSc1cc(ccc1Br)N 62a_100000750459_100000210326 [0,2,0,0,0,0|2,0,0]=4 20006 B14R1.218 CCCCCSc1cc(ccc1Br)O 62a_100000210326_100012339312 [0,2,0,0,0,0|2,0,0]=4 20007 B14R1.218 CCCCCSc1cc(ccc1Br)O 62a_100012339312_100000210326 [0,2,0,0,0,0|2,0,0]=4 20008 B14R1.218 CCCCCSc1cc(ccc1C)Br 62a_100000210326_100011344865 [0,2,0,0,0,0|2,0,0]=4 20009 B14R1.218 CCCCCSc1cc(ccc1C)Br 62a_100011344865_100000210326 [0,2,0,0,0,0|2,0,0]=4 20010 B14R1.218 CCCCCSc1cc(ccc1C)C 62a_100000210326_100000210833 [0,2,0,0,0,0|2,0,0]=4 20011 B14R1.218 CCCCCSc1cc(ccc1C)C 62a_100000210833_100000210326 [0,2,0,0,0,0|2,0,0]=4 20012 B14R1.218 CCCCCSc1cc(ccc1C)Cl 62a_100000210326_100011263213 [0,2,0,0,0,0|2,0,0]=4 20013 B14R1.218 CCCCCSc1cc(ccc1C)Cl 62a_100011263213_100000210326 [0,2,0,0,0,0|2,0,0]=4 20014 B14R1.218 CCCCCSc1cc(ccc1C)F 62a_100000210326_100011218078 [0,2,0,0,0,0|2,0,0]=4 20015 B14R1.218 CCCCCSc1cc(ccc1C)F 62a_100011218078_100000210326 [0,2,0,0,0,0|2,0,0]=4 20016 B14R1.218 CCCCCSc1cc(ccc1C)N 62a_100000210326_100000736455 [0,2,0,0,0,0|2,0,0]=4 20017 B14R1.218 CCCCCSc1cc(ccc1C)N 62a_100000736455_100000210326 [0,2,0,0,0,0|2,0,0]=4 20018 B14R1.218 CCCCCSc1cc(ccc1C)O 62a_100000210326_100011380479 [0,2,0,0,0,0|2,0,0]=4 20019 B14R1.218 CCCCCSc1cc(ccc1C)O 62a_100011380479_100000210326 [0,2,0,0,0,0|2,0,0]=4 20020 B14R1.218 CCCCCSc1cc(ccc1Cl)Br 62a_100000210326_100011772130 [0,2,0,0,0,0|2,0,0]=4 20021 B14R1.218 CCCCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210326 [0,2,0,0,0,0|2,0,0]=4 20022 B14R1.218 CCCCCSc1cc(ccc1Cl)C 62a_100000210326_100012356289 [0,2,0,0,0,0|2,0,0]=4 20023 B14R1.218 CCCCCSc1cc(ccc1Cl)C 62a_100012356289_100000210326 [0,2,0,0,0,0|2,0,0]=4 20024 B14R1.218 CCCCCSc1cc(ccc1Cl)Cl 62a_100000210326_100000707729 [0,2,0,0,0,0|2,0,0]=4 20025 B14R1.218 CCCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210326 [0,2,0,0,0,0|2,0,0]=4 20026 B14R1.218 CCCCCSc1cc(ccc1Cl)F 62a_100000210326_100011217299 [0,2,0,0,0,0|2,0,0]=4 20027 B14R1.218 CCCCCSc1cc(ccc1Cl)F 62a_100011217299_100000210326 [0,2,0,0,0,0|2,0,0]=4 20028 B14R1.218 CCCCCSc1cc(ccc1Cl)N 62a_100000210326_100012360549 [0,2,0,0,0,0|2,0,0]=4 20029 B14R1.218 CCCCCSc1cc(ccc1Cl)N 62a_100012360549_100000210326 [0,2,0,0,0,0|2,0,0]=4 20030 B14R1.218 CCCCCSc1cc(ccc1Cl)O 62a_100000049588_100000210326 [0,2,0,0,0,0|2,0,0]=4 20031 B14R1.218 CCCCCSc1cc(ccc1Cl)O 62a_100000210326_100000049588 [0,2,0,0,0,0|2,0,0]=4 20032 B14R1.218 CCCCCSc1cc(ccc1F)Br 62a_100000210326_100011217312 [0,2,0,0,0,0|2,0,0]=4 20033 B14R1.218 CCCCCSc1cc(ccc1F)Br 62a_100011217312_100000210326 [0,2,0,0,0,0|2,0,0]=4 20034 B14R1.218 CCCCCSc1cc(ccc1F)C 62a_100000210326_100000736223 [0,2,0,0,0,0|2,0,0]=4 20035 B14R1.218 CCCCCSc1cc(ccc1F)C 62a_100000736223_100000210326 [0,2,0,0,0,0|2,0,0]=4 20036 B14R1.218 CCCCCSc1cc(ccc1F)Cl 62a_100000210326_100011218116 [0,2,0,0,0,0|2,0,0]=4 20037 B14R1.218 CCCCCSc1cc(ccc1F)Cl 62a_100011218116_100000210326 [0,2,0,0,0,0|2,0,0]=4 20038 B14R1.218 CCCCCSc1cc(ccc1F)F 62a_100000210326_100011219198 [0,2,0,0,0,0|2,0,0]=4 20039 B14R1.218 CCCCCSc1cc(ccc1F)F 62a_100011219198_100000210326 [0,2,0,0,0,0|2,0,0]=4 20040 B14R1.218 CCCCCSc1cc(ccc1F)N 62a_100000210326_100000760356 [0,2,0,0,0,0|2,0,0]=4 20041 B14R1.218 CCCCCSc1cc(ccc1F)N 62a_100000760356_100000210326 [0,2,0,0,0,0|2,0,0]=4 20042 B14R1.218 CCCCCSc1cc(ccc1F)O 62a_100000210326_100000693481 [0,2,0,0,0,0|2,0,0]=4 20043 B14R1.218 CCCCCSc1cc(ccc1F)O 62a_100000693481_100000210326 [0,2,0,0,0,0|2,0,0]=4 20044 B14R1.218 CCCCCSc1cc(ccc1N)Br 62a_100000187925_100000210326 [0,2,0,0,0,0|2,0,0]=4 20045 B14R1.218 CCCCCSc1cc(ccc1N)Br 62a_100000210326_100000187925 [0,2,0,0,0,0|2,0,0]=4 20046 B14R1.218 CCCCCSc1cc(ccc1N)C 62a_100000210326_100011356834 [0,2,0,0,0,0|2,0,0]=4 20047 B14R1.218 CCCCCSc1cc(ccc1N)C 62a_100011356834_100000210326 [0,2,0,0,0,0|2,0,0]=4 20048 B14R1.218 CCCCCSc1cc(ccc1N)Cl 62a_100000210326_100000761889 [0,2,0,0,0,0|2,0,0]=4 20049 B14R1.218 CCCCCSc1cc(ccc1N)Cl 62a_100000761889_100000210326 [0,2,0,0,0,0|2,0,0]=4 20050 B14R1.218 CCCCCSc1cc(ccc1N)F 62a_100000210326_100000760547 [0,2,0,0,0,0|2,0,0]=4 20051 B14R1.218 CCCCCSc1cc(ccc1N)F 62a_100000760547_100000210326 [0,2,0,0,0,0|2,0,0]=4 20052 B14R1.218 CCCCCSc1cc(ccc1N)N 62a_100000210326_100011534242 [0,2,0,0,0,0|2,0,0]=4 20053 B14R1.218 CCCCCSc1cc(ccc1N)N 62a_100011534242_100000210326 [0,2,0,0,0,0|2,0,0]=4 20054 B14R1.218 CCCCCSc1cc(ccc1N)O 62a_100000210326_100012001276 [0,2,0,0,0,0|2,0,0]=4 20055 B14R1.218 CCCCCSc1cc(ccc1N)O 62a_100012001276_100000210326 [0,2,0,0,0,0|2,0,0]=4 20056 B14R1.218 CCCCCSc1cc(ccc1O)Br 62a_100000210326_100012355227 [0,2,0,0,0,0|2,0,0]=4 20057 B14R1.218 CCCCCSc1cc(ccc1O)Br 62a_100012355227_100000210326 [0,2,0,0,0,0|2,0,0]=4 20058 B14R1.218 CCCCCSc1cc(ccc1O)C 62a_100000210326_100000765521 [0,2,0,0,0,0|2,0,0]=4 20059 B14R1.218 CCCCCSc1cc(ccc1O)C 62a_100000765521_100000210326 [0,2,0,0,0,0|2,0,0]=4 20060 B14R1.218 CCCCCSc1cc(ccc1O)Cl 62a_100000210326_100011356953 [0,2,0,0,0,0|2,0,0]=4 20061 B14R1.218 CCCCCSc1cc(ccc1O)Cl 62a_100011356953_100000210326 [0,2,0,0,0,0|2,0,0]=4 20062 B14R1.218 CCCCCSc1cc(ccc1O)F 62a_100000210326_100000211999 [0,2,0,0,0,0|2,0,0]=4 20063 B14R1.218 CCCCCSc1cc(ccc1O)F 62a_100000211999_100000210326 [0,2,0,0,0,0|2,0,0]=4 20064 B14R1.218 CCCCCSc1cc(ccc1O)N 62a_100000210326_100011534360 [0,2,0,0,0,0|2,0,0]=4 20065 B14R1.218 CCCCCSc1cc(ccc1O)N 62a_100011534360_100000210326 [0,2,0,0,0,0|2,0,0]=4 20066 B14R1.218 CCCCCSc1cc(ccc1O)O 62a_100000210326_100009813629 [0,2,0,0,0,0|2,0,0]=4 20067 B14R1.218 CCCCNCc1cc(ccc1Br)Br 207a_100000102301_100011266429 [0,2,0,0,0,0|2,0,0]=4 20068 B14R1.218 CCCCNCc1cc(ccc1Br)Br 2230a_100000102301_100011982794 [0,2,0,0,0,0|2,0,0]=4 20069 B14R1.218 CCCCNCc1cc(ccc1Br)Br 270004a_100000102301_100011266429 [0,2,0,0,0,0|2,0,0]=4 20070 B14R1.218 CCCCNCc1cc(ccc1Br)Br 34a_100000707832_100000210210 [0,2,0,0,0,0|2,0,0]=4 20071 B14R1.218 CCCCNCc1cc(ccc1Br)Br 7a_106832991798_100011982794 [0,2,0,0,0,0|2,0,0]=4 20072 B14R1.218 CCCCNCc1cc(ccc1Br)C 207a_100000102301_100011551863 [0,2,0,0,0,0|2,0,0]=4 20073 B14R1.218 CCCCNCc1cc(ccc1Br)C 270004a_100000102301_100011551863 [0,2,0,0,0,0|2,0,0]=4 20074 B14R1.218 CCCCNCc1cc(ccc1Br)Cl 207a_100000102301_100000746314 [0,2,0,0,0,0|2,0,0]=4 20075 B14R1.218 CCCCNCc1cc(ccc1Br)Cl 2230a_100000102301_100000733903 [0,2,0,0,0,0|2,0,0]=4 20076 B14R1.218 CCCCNCc1cc(ccc1Br)Cl 270004a_100000102301_100000746314 [0,2,0,0,0,0|2,0,0]=4 20077 B14R1.218 CCCCNCc1cc(ccc1Br)Cl 7a_106832991798_100000733903 [0,2,0,0,0,0|2,0,0]=4 20078 B14R1.218 CCCCNCc1cc(ccc1Br)F 207a_100000102301_100000766564 [0,2,0,0,0,0|2,0,0]=4 20079 B14R1.218 CCCCNCc1cc(ccc1Br)F 2230a_100000102301_100000736370 [0,2,0,0,0,0|2,0,0]=4 20080 B14R1.218 CCCCNCc1cc(ccc1Br)F 2230a_100000742738_100000210211 [0,2,0,0,0,0|2,0,0]=4 20081 B14R1.218 CCCCNCc1cc(ccc1Br)F 270004a_100000102301_100000766564 [0,2,0,0,0,0|2,0,0]=4 20082 B14R1.218 CCCCNCc1cc(ccc1Br)F 34a_100000742738_100000210210 [0,2,0,0,0,0|2,0,0]=4 20083 B14R1.218 CCCCNCc1cc(ccc1Br)F 7a_106832991798_100000736370 [0,2,0,0,0,0|2,0,0]=4 20084 B14R1.218 CCCCNCc1cc(ccc1Br)I 207a_100000102301_100010185652 [0,2,0,0,0,0|2,0,0]=4 20085 B14R1.218 CCCCNCc1cc(ccc1Br)I 2230a_100000102301_100012355412 [0,2,0,0,0,0|2,0,0]=4 20086 B14R1.218 CCCCNCc1cc(ccc1Br)I 7a_106832991798_100012355412 [0,2,0,0,0,0|2,0,0]=4 20087 B14R1.218 CCCCNCc1cc(ccc1C)Br 207a_100000102301_100011361606 [0,2,0,0,0,0|2,0,0]=4 20088 B14R1.218 CCCCNCc1cc(ccc1C)Br 270004a_100000102301_100011361606 [0,2,0,0,0,0|2,0,0]=4 20089 B14R1.218 CCCCNCc1cc(ccc1C)C 207a_100000102301_100000211343 [0,2,0,0,0,0|2,0,0]=4 20090 B14R1.218 CCCCNCc1cc(ccc1C)C 2230a_100000102301_100000184699 [0,2,0,0,0,0|2,0,0]=4 20091 B14R1.218 CCCCNCc1cc(ccc1C)C 270004a_100000102301_100000211343 [0,2,0,0,0,0|2,0,0]=4 20092 B14R1.218 CCCCNCc1cc(ccc1C)C 34a_100000174964_100000210210 [0,2,0,0,0,0|2,0,0]=4 20093 B14R1.218 CCCCNCc1cc(ccc1C)C 7a_106832991798_100000184699 [0,2,0,0,0,0|2,0,0]=4 20094 B14R1.218 CCCCNCc1cc(ccc1C)Cl 207a_100000102301_100011551331 [0,2,0,0,0,0|2,0,0]=4 20095 B14R1.218 CCCCNCc1cc(ccc1C)Cl 2230a_100000102301_100012186985 [0,2,0,0,0,0|2,0,0]=4 20096 B14R1.218 CCCCNCc1cc(ccc1C)Cl 270004a_100000102301_100011551331 [0,2,0,0,0,0|2,0,0]=4 20097 B14R1.218 CCCCNCc1cc(ccc1C)Cl 34a_100000717755_100000210210 [0,2,0,0,0,0|2,0,0]=4 20098 B14R1.218 CCCCNCc1cc(ccc1C)Cl 7a_106832991798_100012186985 [0,2,0,0,0,0|2,0,0]=4 20099 B14R1.218 CCCCNCc1cc(ccc1C)F 207a_100000102301_100000697687 [0,2,0,0,0,0|2,0,0]=4 20100 B14R1.218 CCCCNCc1cc(ccc1C)F 2230a_100000102301_100000709795 [0,2,0,0,0,0|2,0,0]=4 20101 B14R1.218 CCCCNCc1cc(ccc1C)F 270004a_100000102301_100000697687 [0,2,0,0,0,0|2,0,0]=4 20102 B14R1.218 CCCCNCc1cc(ccc1C)F 34a_100011217291_100000210210 [0,2,0,0,0,0|2,0,0]=4 20103 B14R1.218 CCCCNCc1cc(ccc1C)F 7a_106832991798_100000709795 [0,2,0,0,0,0|2,0,0]=4 20104 B14R1.218 CCCCNCc1cc(ccc1C)O 34a_200009844824_100000210210 [0,2,0,0,0,0|2,0,0]=4 20105 B14R1.218 CCCCNCc1cc(ccc1Cl)Br 207a_100000102301_100000746309 [0,2,0,0,0,0|2,0,0]=4 20106 B14R1.218 CCCCNCc1cc(ccc1Cl)Br 2230a_100000102301_100000763347 [0,2,0,0,0,0|2,0,0]=4 20107 B14R1.218 CCCCNCc1cc(ccc1Cl)Br 270004a_100000102301_100000746309 [0,2,0,0,0,0|2,0,0]=4 20108 B14R1.218 CCCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000210210 [0,2,0,0,0,0|2,0,0]=4 20109 B14R1.218 CCCCNCc1cc(ccc1Cl)Br 7a_106832991798_100000763347 [0,2,0,0,0,0|2,0,0]=4 20110 B14R1.218 CCCCNCc1cc(ccc1Cl)C 207a_100000102301_100011551332 [0,2,0,0,0,0|2,0,0]=4 20111 B14R1.218 CCCCNCc1cc(ccc1Cl)C 2230a_100000102301_100009871730 [0,2,0,0,0,0|2,0,0]=4 20112 B14R1.218 CCCCNCc1cc(ccc1Cl)C 2230a_100025705715_100000210211 [0,2,0,0,0,0|2,0,0]=4 20113 B14R1.218 CCCCNCc1cc(ccc1Cl)C 270004a_100000102301_100011551332 [0,2,0,0,0,0|2,0,0]=4 20114 B14R1.218 CCCCNCc1cc(ccc1Cl)C 34a_100025705715_100000210210 [0,2,0,0,0,0|2,0,0]=4 20115 B14R1.218 CCCCNCc1cc(ccc1Cl)C 7a_106832991798_100009871730 [0,2,0,0,0,0|2,0,0]=4 20116 B14R1.218 CCCCNCc1cc(ccc1Cl)Cl 207a_100000102301_100000746308 [0,2,0,0,0,0|2,0,0]=4 20117 B14R1.218 CCCCNCc1cc(ccc1Cl)Cl 2230a_100000102301_100000756322 [0,2,0,0,0,0|2,0,0]=4 20118 B14R1.218 CCCCNCc1cc(ccc1Cl)Cl 270004a_100000102301_100000746308 [0,2,0,0,0,0|2,0,0]=4 20119 B14R1.218 CCCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000210210 [0,2,0,0,0,0|2,0,0]=4 20120 B14R1.218 CCCCNCc1cc(ccc1Cl)Cl 7a_106832991798_100000756322 [0,2,0,0,0,0|2,0,0]=4 20121 B14R1.218 CCCCNCc1cc(ccc1Cl)F 207a_100000102301_100011218309 [0,2,0,0,0,0|2,0,0]=4 20122 B14R1.218 CCCCNCc1cc(ccc1Cl)F 2230a_100000102301_100000709952 [0,2,0,0,0,0|2,0,0]=4 20123 B14R1.218 CCCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000210211 [0,2,0,0,0,0|2,0,0]=4 20124 B14R1.218 CCCCNCc1cc(ccc1Cl)F 270004a_100000102301_100011218309 [0,2,0,0,0,0|2,0,0]=4 20125 B14R1.218 CCCCNCc1cc(ccc1Cl)F 34a_100011830483_100000210210 [0,2,0,0,0,0|2,0,0]=4 20126 B14R1.218 CCCCNCc1cc(ccc1Cl)F 7a_106832991798_100000709952 [0,2,0,0,0,0|2,0,0]=4 20127 B14R1.218 CCCCNCc1cc(ccc1Cl)I 207a_100000102301_100010254384 [0,2,0,0,0,0|2,0,0]=4 20128 B14R1.218 CCCCNCc1cc(ccc1Cl)I 2230a_100000102301_100010188191 [0,2,0,0,0,0|2,0,0]=4 20129 B14R1.218 CCCCNCc1cc(ccc1Cl)I 7a_106832991798_100010188191 [0,2,0,0,0,0|2,0,0]=4 20130 B14R1.218 CCCCNCc1cc(ccc1F)Br 207a_100000102301_100000211465 [0,2,0,0,0,0|2,0,0]=4 20131 B14R1.218 CCCCNCc1cc(ccc1F)Br 2230a_100000102301_100000736399 [0,2,0,0,0,0|2,0,0]=4 20132 B14R1.218 CCCCNCc1cc(ccc1F)Br 270004a_100000102301_100000211465 [0,2,0,0,0,0|2,0,0]=4 20133 B14R1.218 CCCCNCc1cc(ccc1F)Br 34a_100009815772_100000210210 [0,2,0,0,0,0|2,0,0]=4 20134 B14R1.218 CCCCNCc1cc(ccc1F)Br 7a_106832991798_100000736399 [0,2,0,0,0,0|2,0,0]=4 20135 B14R1.218 CCCCNCc1cc(ccc1F)C 207a_100000102301_100000756917 [0,2,0,0,0,0|2,0,0]=4 20136 B14R1.218 CCCCNCc1cc(ccc1F)C 2230a_100000102301_100011260760 [0,2,0,0,0,0|2,0,0]=4 20137 B14R1.218 CCCCNCc1cc(ccc1F)C 270004a_100000102301_100000756917 [0,2,0,0,0,0|2,0,0]=4 20138 B14R1.218 CCCCNCc1cc(ccc1F)C 34a_100102693586_100000210210 [0,2,0,0,0,0|2,0,0]=4 20139 B14R1.218 CCCCNCc1cc(ccc1F)C 7a_106832991798_100011260760 [0,2,0,0,0,0|2,0,0]=4 20140 B14R1.218 CCCCNCc1cc(ccc1F)Cl 207a_100000102301_100000745245 [0,2,0,0,0,0|2,0,0]=4 20141 B14R1.218 CCCCNCc1cc(ccc1F)Cl 2230a_100000102301_100000716957 [0,2,0,0,0,0|2,0,0]=4 20142 B14R1.218 CCCCNCc1cc(ccc1F)Cl 270004a_100000102301_100000745245 [0,2,0,0,0,0|2,0,0]=4 20143 B14R1.218 CCCCNCc1cc(ccc1F)Cl 34a_100011211646_100000210210 [0,2,0,0,0,0|2,0,0]=4 20144 B14R1.218 CCCCNCc1cc(ccc1F)Cl 7a_106832991798_100000716957 [0,2,0,0,0,0|2,0,0]=4 20145 B14R1.218 CCCCNCc1cc(ccc1F)F 207a_100000102301_100000740046 [0,2,0,0,0,0|2,0,0]=4 20146 B14R1.218 CCCCNCc1cc(ccc1F)F 2230a_100000102301_100000741279 [0,2,0,0,0,0|2,0,0]=4 20147 B14R1.218 CCCCNCc1cc(ccc1F)F 270004a_100000102301_100000740046 [0,2,0,0,0,0|2,0,0]=4 20148 B14R1.218 CCCCNCc1cc(ccc1F)F 34a_100000752317_100000210210 [0,2,0,0,0,0|2,0,0]=4 20149 B14R1.218 CCCCNCc1cc(ccc1F)F 7a_106832991798_100000741279 [0,2,0,0,0,0|2,0,0]=4 20150 B14R1.218 CCCCNCc1cc(ccc1F)I 207a_100000102301_100000050626 [0,2,0,0,0,0|2,0,0]=4 20151 B14R1.218 CCCCNCc1cc(ccc1F)I 2230a_100000102301_200010149601 [0,2,0,0,0,0|2,0,0]=4 20152 B14R1.218 CCCCNCc1cc(ccc1F)I 7a_106832991798_200010149601 [0,2,0,0,0,0|2,0,0]=4 20153 B14R1.218 CCCCNCc1cc(ccc1I)Br 207a_100000102301_100010185651 [0,2,0,0,0,0|2,0,0]=4 20154 B14R1.218 CCCCNCc1cc(ccc1I)Br 2230a_100000102301_100012362523 [0,2,0,0,0,0|2,0,0]=4 20155 B14R1.218 CCCCNCc1cc(ccc1I)Br 270004a_100000102301_100010185651 [0,2,0,0,0,0|2,0,0]=4 20156 B14R1.218 CCCCNCc1cc(ccc1I)Br 7a_106832991798_100012362523 [0,2,0,0,0,0|2,0,0]=4 20157 B14R1.218 CCCCNCc1cc(ccc1I)C 207a_100000102301_100010150105 [0,2,0,0,0,0|2,0,0]=4 20158 B14R1.218 CCCCNCc1cc(ccc1I)C 270004a_100000102301_100010150105 [0,2,0,0,0,0|2,0,0]=4 20159 B14R1.218 CCCCNCc1cc(ccc1I)Cl 207a_100000102301_100010254386 [0,2,0,0,0,0|2,0,0]=4 20160 B14R1.218 CCCCNCc1cc(ccc1I)Cl 2230a_100000102301_100012348826 [0,2,0,0,0,0|2,0,0]=4 20161 B14R1.218 CCCCNCc1cc(ccc1I)Cl 270004a_100000102301_100010254386 [0,2,0,0,0,0|2,0,0]=4 20162 B14R1.218 CCCCNCc1cc(ccc1I)Cl 7a_106832991798_100012348826 [0,2,0,0,0,0|2,0,0]=4 20163 B14R1.218 CCCCNCc1cc(ccc1I)F 207a_100000102301_100010186294 [0,2,0,0,0,0|2,0,0]=4 20164 B14R1.218 CCCCNCc1cc(ccc1I)F 2230a_100000102301_100010149606 [0,2,0,0,0,0|2,0,0]=4 20165 B14R1.218 CCCCNCc1cc(ccc1I)F 270004a_100000102301_100010186294 [0,2,0,0,0,0|2,0,0]=4 20166 B14R1.218 CCCCNCc1cc(ccc1I)F 7a_106832991798_100010149606 [0,2,0,0,0,0|2,0,0]=4 20167 B14R1.218 CCCCNCc1cc(ccc1O)Br 34a_100000730032_100000210210 [0,2,0,0,0,0|2,0,0]=4 20168 B14R1.218 CCCCNCc1cc(ccc1O)Cl 34a_100000238540_100000210210 [0,2,0,0,0,0|2,0,0]=4 20169 B14R1.218 CCCCNCc1cc(ccc1O)F 7a_106832991798_100010161318 [0,2,0,0,0,0|2,0,0]=4 20170 B14R1.218 CCCCOCc1cc(ccc1Br)Br 34a_100000210227_100011982794 [0,2,0,0,0,0|2,0,0]=4 20171 B14R1.218 CCCCOCc1cc(ccc1Br)Br 34a_100011266457_100000210210 [0,2,0,0,0,0|2,0,0]=4 20172 B14R1.218 CCCCOCc1cc(ccc1Br)Br 7a_100000210227_100011982794 [0,2,0,0,0,0|2,0,0]=4 20173 B14R1.218 CCCCOCc1cc(ccc1Br)Br 7a_100011266457_100000210211 [0,2,0,0,0,0|2,0,0]=4 20174 B14R1.218 CCCCOCc1cc(ccc1Br)C 34a_100012361352_100000210210 [0,2,0,0,0,0|2,0,0]=4 20175 B14R1.218 CCCCOCc1cc(ccc1Br)C 7a_100012361352_100000210211 [0,2,0,0,0,0|2,0,0]=4 20176 B14R1.218 CCCCOCc1cc(ccc1Br)Cl 34a_100000210227_100000733903 [0,2,0,0,0,0|2,0,0]=4 20177 B14R1.218 CCCCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210210 [0,2,0,0,0,0|2,0,0]=4 20178 B14R1.218 CCCCOCc1cc(ccc1Br)Cl 7a_100000210227_100000733903 [0,2,0,0,0,0|2,0,0]=4 20179 B14R1.218 CCCCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210211 [0,2,0,0,0,0|2,0,0]=4 20180 B14R1.218 CCCCOCc1cc(ccc1Br)F 34a_100000210227_100000736370 [0,2,0,0,0,0|2,0,0]=4 20181 B14R1.218 CCCCOCc1cc(ccc1Br)F 34a_100011217561_100000210210 [0,2,0,0,0,0|2,0,0]=4 20182 B14R1.218 CCCCOCc1cc(ccc1Br)F 7a_100000210227_100000736370 [0,2,0,0,0,0|2,0,0]=4 20183 B14R1.218 CCCCOCc1cc(ccc1Br)F 7a_100011217561_100000210211 [0,2,0,0,0,0|2,0,0]=4 20184 B14R1.218 CCCCOCc1cc(ccc1Br)I 34a_100000210227_100012355412 [0,2,0,0,0,0|2,0,0]=4 20185 B14R1.218 CCCCOCc1cc(ccc1Br)I 7a_100000210227_100012355412 [0,2,0,0,0,0|2,0,0]=4 20186 B14R1.218 CCCCOCc1cc(ccc1Br)I 7a_100012359683_100000210211 [0,2,0,0,0,0|2,0,0]=4 20187 B14R1.218 CCCCOCc1cc(ccc1Br)N 34a_100012347228_100000210210 [0,2,0,0,0,0|2,0,0]=4 20188 B14R1.218 CCCCOCc1cc(ccc1C)Br 34a_100000700630_100000210210 [0,2,0,0,0,0|2,0,0]=4 20189 B14R1.218 CCCCOCc1cc(ccc1C)Br 7a_100000700630_100000210211 [0,2,0,0,0,0|2,0,0]=4 20190 B14R1.218 CCCCOCc1cc(ccc1C)C 34a_100000210227_100000184699 [0,2,0,0,0,0|2,0,0]=4 20191 B14R1.218 CCCCOCc1cc(ccc1C)C 34a_200011215349_100000210210 [0,2,0,0,0,0|2,0,0]=4 20192 B14R1.218 CCCCOCc1cc(ccc1C)C 7a_100000210227_100000184699 [0,2,0,0,0,0|2,0,0]=4 20193 B14R1.218 CCCCOCc1cc(ccc1C)C 7a_200011215349_100000210211 [0,2,0,0,0,0|2,0,0]=4 20194 B14R1.218 CCCCOCc1cc(ccc1C)Cl 34a_100000210227_100012186985 [0,2,0,0,0,0|2,0,0]=4 20195 B14R1.218 CCCCOCc1cc(ccc1C)Cl 34a_100012002407_100000210210 [0,2,0,0,0,0|2,0,0]=4 20196 B14R1.218 CCCCOCc1cc(ccc1C)Cl 7a_100000210227_100012186985 [0,2,0,0,0,0|2,0,0]=4 20197 B14R1.218 CCCCOCc1cc(ccc1C)Cl 7a_100012002407_100000210211 [0,2,0,0,0,0|2,0,0]=4 20198 B14R1.218 CCCCOCc1cc(ccc1C)F 34a_100000210227_100000709795 [0,2,0,0,0,0|2,0,0]=4 20199 B14R1.218 CCCCOCc1cc(ccc1C)F 34a_100011219218_100000210210 [0,2,0,0,0,0|2,0,0]=4 20200 B14R1.218 CCCCOCc1cc(ccc1C)F 7a_100000210227_100000709795 [0,2,0,0,0,0|2,0,0]=4 20201 B14R1.218 CCCCOCc1cc(ccc1C)F 7a_100011219218_100000210211 [0,2,0,0,0,0|2,0,0]=4 20202 B14R1.218 CCCCOCc1cc(ccc1C)I 34a_100010150140_100000210210 [0,2,0,0,0,0|2,0,0]=4 20203 B14R1.218 CCCCOCc1cc(ccc1C)I 7a_100010150140_100000210211 [0,2,0,0,0,0|2,0,0]=4 20204 B14R1.218 CCCCOCc1cc(ccc1Cl)Br 34a_100000210227_100000763347 [0,2,0,0,0,0|2,0,0]=4 20205 B14R1.218 CCCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210210 [0,2,0,0,0,0|2,0,0]=4 20206 B14R1.218 CCCCOCc1cc(ccc1Cl)Br 7a_100000210227_100000763347 [0,2,0,0,0,0|2,0,0]=4 20207 B14R1.218 CCCCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210211 [0,2,0,0,0,0|2,0,0]=4 20208 B14R1.218 CCCCOCc1cc(ccc1Cl)C 34a_100000210227_100009871730 [0,2,0,0,0,0|2,0,0]=4 20209 B14R1.218 CCCCOCc1cc(ccc1Cl)C 34a_100009878994_100000210210 [0,2,0,0,0,0|2,0,0]=4 20210 B14R1.218 CCCCOCc1cc(ccc1Cl)C 7a_100000210227_100009871730 [0,2,0,0,0,0|2,0,0]=4 20211 B14R1.218 CCCCOCc1cc(ccc1Cl)C 7a_100009878994_100000210211 [0,2,0,0,0,0|2,0,0]=4 20212 B14R1.218 CCCCOCc1cc(ccc1Cl)Cl 34a_100000210227_100000756322 [0,2,0,0,0,0|2,0,0]=4 20213 B14R1.218 CCCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210210 [0,2,0,0,0,0|2,0,0]=4 20214 B14R1.218 CCCCOCc1cc(ccc1Cl)Cl 7a_100000210227_100000756322 [0,2,0,0,0,0|2,0,0]=4 20215 B14R1.218 CCCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210211 [0,2,0,0,0,0|2,0,0]=4 20216 B14R1.218 CCCCOCc1cc(ccc1Cl)F 34a_100000210227_100000709952 [0,2,0,0,0,0|2,0,0]=4 20217 B14R1.218 CCCCOCc1cc(ccc1Cl)F 34a_100011218361_100000210210 [0,2,0,0,0,0|2,0,0]=4 20218 B14R1.218 CCCCOCc1cc(ccc1Cl)F 7a_100000210227_100000709952 [0,2,0,0,0,0|2,0,0]=4 20219 B14R1.218 CCCCOCc1cc(ccc1Cl)F 7a_100011218361_100000210211 [0,2,0,0,0,0|2,0,0]=4 20220 B14R1.218 CCCCOCc1cc(ccc1Cl)I 34a_100000210227_100010188191 [0,2,0,0,0,0|2,0,0]=4 20221 B14R1.218 CCCCOCc1cc(ccc1Cl)I 34a_100010128486_100000210210 [0,2,0,0,0,0|2,0,0]=4 20222 B14R1.218 CCCCOCc1cc(ccc1Cl)I 7a_100000210227_100010188191 [0,2,0,0,0,0|2,0,0]=4 20223 B14R1.218 CCCCOCc1cc(ccc1Cl)I 7a_100010128486_100000210211 [0,2,0,0,0,0|2,0,0]=4 20224 B14R1.218 CCCCOCc1cc(ccc1Cl)N 34a_100011273577_100000210210 [0,2,0,0,0,0|2,0,0]=4 20225 B14R1.218 CCCCOCc1cc(ccc1F)Br 34a_100000210227_100000736399 [0,2,0,0,0,0|2,0,0]=4 20226 B14R1.218 CCCCOCc1cc(ccc1F)Br 34a_100000246282_100000210210 [0,2,0,0,0,0|2,0,0]=4 20227 B14R1.218 CCCCOCc1cc(ccc1F)Br 7a_100000210227_100000736399 [0,2,0,0,0,0|2,0,0]=4 20228 B14R1.218 CCCCOCc1cc(ccc1F)Br 7a_100000246282_100000210211 [0,2,0,0,0,0|2,0,0]=4 20229 B14R1.218 CCCCOCc1cc(ccc1F)C 34a_100000210227_100011260760 [0,2,0,0,0,0|2,0,0]=4 20230 B14R1.218 CCCCOCc1cc(ccc1F)C 34a_100011692775_100000210210 [0,2,0,0,0,0|2,0,0]=4 20231 B14R1.218 CCCCOCc1cc(ccc1F)C 7a_100000210227_100011260760 [0,2,0,0,0,0|2,0,0]=4 20232 B14R1.218 CCCCOCc1cc(ccc1F)C 7a_100011692775_100000210211 [0,2,0,0,0,0|2,0,0]=4 20233 B14R1.218 CCCCOCc1cc(ccc1F)Cl 34a_100000210227_100000716957 [0,2,0,0,0,0|2,0,0]=4 20234 B14R1.218 CCCCOCc1cc(ccc1F)Cl 34a_100011217248_100000210210 [0,2,0,0,0,0|2,0,0]=4 20235 B14R1.218 CCCCOCc1cc(ccc1F)Cl 7a_100000210227_100000716957 [0,2,0,0,0,0|2,0,0]=4 20236 B14R1.218 CCCCOCc1cc(ccc1F)Cl 7a_100011217248_100000210211 [0,2,0,0,0,0|2,0,0]=4 20237 B14R1.218 CCCCOCc1cc(ccc1F)F 34a_100000210227_100000741279 [0,2,0,0,0,0|2,0,0]=4 20238 B14R1.218 CCCCOCc1cc(ccc1F)F 34a_100011217725_100000210210 [0,2,0,0,0,0|2,0,0]=4 20239 B14R1.218 CCCCOCc1cc(ccc1F)F 7a_100000210227_100000741279 [0,2,0,0,0,0|2,0,0]=4 20240 B14R1.218 CCCCOCc1cc(ccc1F)F 7a_100011217725_100000210211 [0,2,0,0,0,0|2,0,0]=4 20241 B14R1.218 CCCCOCc1cc(ccc1F)I 34a_100000049604_100000210210 [0,2,0,0,0,0|2,0,0]=4 20242 B14R1.218 CCCCOCc1cc(ccc1F)I 34a_100000210227_200010149601 [0,2,0,0,0,0|2,0,0]=4 20243 B14R1.218 CCCCOCc1cc(ccc1F)I 7a_100000049604_100000210211 [0,2,0,0,0,0|2,0,0]=4 20244 B14R1.218 CCCCOCc1cc(ccc1F)I 7a_100000210227_200010149601 [0,2,0,0,0,0|2,0,0]=4 20245 B14R1.218 CCCCOCc1cc(ccc1F)N 34a_100011218011_100000210210 [0,2,0,0,0,0|2,0,0]=4 20246 B14R1.218 CCCCOCc1cc(ccc1I)Br 34a_100000210227_100012362523 [0,2,0,0,0,0|2,0,0]=4 20247 B14R1.218 CCCCOCc1cc(ccc1I)Br 34a_100011356890_100000210210 [0,2,0,0,0,0|2,0,0]=4 20248 B14R1.218 CCCCOCc1cc(ccc1I)Br 7a_100000210227_100012362523 [0,2,0,0,0,0|2,0,0]=4 20249 B14R1.218 CCCCOCc1cc(ccc1I)Br 7a_100011356890_100000210211 [0,2,0,0,0,0|2,0,0]=4 20250 B14R1.218 CCCCOCc1cc(ccc1I)Cl 34a_100000210227_100012348826 [0,2,0,0,0,0|2,0,0]=4 20251 B14R1.218 CCCCOCc1cc(ccc1I)Cl 7a_100000210227_100012348826 [0,2,0,0,0,0|2,0,0]=4 20252 B14R1.218 CCCCOCc1cc(ccc1I)F 34a_100000210227_100010149606 [0,2,0,0,0,0|2,0,0]=4 20253 B14R1.218 CCCCOCc1cc(ccc1I)F 34a_100010255287_100000210210 [0,2,0,0,0,0|2,0,0]=4 20254 B14R1.218 CCCCOCc1cc(ccc1I)F 7a_100000210227_100010149606 [0,2,0,0,0,0|2,0,0]=4 20255 B14R1.218 CCCCOCc1cc(ccc1I)F 7a_100010255287_100000210211 [0,2,0,0,0,0|2,0,0]=4 20256 B14R1.218 CCCCOCc1cc(ccc1N)Br 34a_100012353972_100000210210 [0,2,0,0,0,0|2,0,0]=4 20257 B14R1.218 CCCCOCc1cc(ccc1N)Br 7a_100012353972_100000210211 [0,2,0,0,0,0|2,0,0]=4 20258 B14R1.218 CCCCOCc1cc(ccc1N)C 34a_100011215565_100000210210 [0,2,0,0,0,0|2,0,0]=4 20259 B14R1.218 CCCCOCc1cc(ccc1N)C 7a_100011215565_100000210211 [0,2,0,0,0,0|2,0,0]=4 20260 B14R1.218 CCCCOCc1cc(ccc1N)Cl 34a_100011214999_100000210210 [0,2,0,0,0,0|2,0,0]=4 20261 B14R1.218 CCCCOCc1cc(ccc1N)Cl 7a_100011214999_100000210211 [0,2,0,0,0,0|2,0,0]=4 20262 B14R1.218 CCCCOCc1cc(ccc1N)F 34a_100011296978_100000210210 [0,2,0,0,0,0|2,0,0]=4 20263 B14R1.218 CCCCOCc1cc(ccc1N)F 7a_100011296978_100000210211 [0,2,0,0,0,0|2,0,0]=4 20264 B14R1.218 CCCCOCc1cc(ccc1O)F 34a_100000210227_100010161318 [0,2,0,0,0,0|2,0,0]=4 20265 B14R1.218 CCCCOCc1cc(ccc1O)F 7a_100000210227_100010161318 [0,2,0,0,0,0|2,0,0]=4 20266 B14R1.218 CCCCSCc1cc(ccc1Br)Br 62a_100000210211_100011982794 [0,2,0,0,0,0|2,0,0]=4 20267 B14R1.218 CCCCSCc1cc(ccc1Br)Br 62a_100011982794_100000210210 [0,2,0,0,0,0|2,0,0]=4 20268 B14R1.218 CCCCSCc1cc(ccc1Br)Cl 62a_100000210211_100000733903 [0,2,0,0,0,0|2,0,0]=4 20269 B14R1.218 CCCCSCc1cc(ccc1Br)Cl 62a_100000733903_100000210210 [0,2,0,0,0,0|2,0,0]=4 20270 B14R1.218 CCCCSCc1cc(ccc1Br)F 62a_100000210211_100000736370 [0,2,0,0,0,0|2,0,0]=4 20271 B14R1.218 CCCCSCc1cc(ccc1Br)F 62a_100000736370_100000210210 [0,2,0,0,0,0|2,0,0]=4 20272 B14R1.218 CCCCSCc1cc(ccc1Br)I 62a_100000210211_100012355412 [0,2,0,0,0,0|2,0,0]=4 20273 B14R1.218 CCCCSCc1cc(ccc1Br)I 62a_100012355412_100000210210 [0,2,0,0,0,0|2,0,0]=4 20274 B14R1.218 CCCCSCc1cc(ccc1C)C 62a_100000184699_100000210210 [0,2,0,0,0,0|2,0,0]=4 20275 B14R1.218 CCCCSCc1cc(ccc1C)C 62a_100000210211_100000184699 [0,2,0,0,0,0|2,0,0]=4 20276 B14R1.218 CCCCSCc1cc(ccc1C)Cl 62a_100000210211_100012186985 [0,2,0,0,0,0|2,0,0]=4 20277 B14R1.218 CCCCSCc1cc(ccc1C)Cl 62a_100012186985_100000210210 [0,2,0,0,0,0|2,0,0]=4 20278 B14R1.218 CCCCSCc1cc(ccc1C)F 62a_100000210211_100000709795 [0,2,0,0,0,0|2,0,0]=4 20279 B14R1.218 CCCCSCc1cc(ccc1C)F 62a_100000709795_100000210210 [0,2,0,0,0,0|2,0,0]=4 20280 B14R1.218 CCCCSCc1cc(ccc1Cl)Br 62a_100000210211_100000763347 [0,2,0,0,0,0|2,0,0]=4 20281 B14R1.218 CCCCSCc1cc(ccc1Cl)Br 62a_100000763347_100000210210 [0,2,0,0,0,0|2,0,0]=4 20282 B14R1.218 CCCCSCc1cc(ccc1Cl)C 62a_100000210211_100009871730 [0,2,0,0,0,0|2,0,0]=4 20283 B14R1.218 CCCCSCc1cc(ccc1Cl)C 62a_100009871730_100000210210 [0,2,0,0,0,0|2,0,0]=4 20284 B14R1.218 CCCCSCc1cc(ccc1Cl)Cl 62a_100000210211_100000756322 [0,2,0,0,0,0|2,0,0]=4 20285 B14R1.218 CCCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100000210210 [0,2,0,0,0,0|2,0,0]=4 20286 B14R1.218 CCCCSCc1cc(ccc1Cl)F 62a_100000210211_100000709952 [0,2,0,0,0,0|2,0,0]=4 20287 B14R1.218 CCCCSCc1cc(ccc1Cl)F 62a_100000709952_100000210210 [0,2,0,0,0,0|2,0,0]=4 20288 B14R1.218 CCCCSCc1cc(ccc1Cl)I 62a_100000210211_100010188191 [0,2,0,0,0,0|2,0,0]=4 20289 B14R1.218 CCCCSCc1cc(ccc1Cl)I 62a_100010188191_100000210210 [0,2,0,0,0,0|2,0,0]=4 20290 B14R1.218 CCCCSCc1cc(ccc1F)Br 62a_100000210211_100000736399 [0,2,0,0,0,0|2,0,0]=4 20291 B14R1.218 CCCCSCc1cc(ccc1F)Br 62a_100000736399_100000210210 [0,2,0,0,0,0|2,0,0]=4 20292 B14R1.218 CCCCSCc1cc(ccc1F)C 62a_100000210211_100011260760 [0,2,0,0,0,0|2,0,0]=4 20293 B14R1.218 CCCCSCc1cc(ccc1F)C 62a_100011260760_100000210210 [0,2,0,0,0,0|2,0,0]=4 20294 B14R1.218 CCCCSCc1cc(ccc1F)Cl 62a_100000210211_100000716957 [0,2,0,0,0,0|2,0,0]=4 20295 B14R1.218 CCCCSCc1cc(ccc1F)Cl 62a_100000716957_100000210210 [0,2,0,0,0,0|2,0,0]=4 20296 B14R1.218 CCCCSCc1cc(ccc1F)F 62a_100000210211_100000685659 [0,2,0,0,0,0|2,0,0]=4 20297 B14R1.218 CCCCSCc1cc(ccc1F)F 62a_100000685659_100000210210 [0,2,0,0,0,0|2,0,0]=4 20298 B14R1.218 CCCCSCc1cc(ccc1F)I 62a_100000210211_200010149601 [0,2,0,0,0,0|2,0,0]=4 20299 B14R1.218 CCCCSCc1cc(ccc1F)I 62a_200010149601_100000210210 [0,2,0,0,0,0|2,0,0]=4 20300 B14R1.218 CCCCSCc1cc(ccc1I)Br 62a_100000210211_100012362523 [0,2,0,0,0,0|2,0,0]=4 20301 B14R1.218 CCCCSCc1cc(ccc1I)Br 62a_100012362523_100000210210 [0,2,0,0,0,0|2,0,0]=4 20302 B14R1.218 CCCCSCc1cc(ccc1I)Cl 62a_100000210211_100012348826 [0,2,0,0,0,0|2,0,0]=4 20303 B14R1.218 CCCCSCc1cc(ccc1I)Cl 62a_100012348826_100000210210 [0,2,0,0,0,0|2,0,0]=4 20304 B14R1.218 CCCCSCc1cc(ccc1I)F 62a_100000210211_100010149606 [0,2,0,0,0,0|2,0,0]=4 20305 B14R1.218 CCCCSCc1cc(ccc1I)F 62a_100010149606_100000210210 [0,2,0,0,0,0|2,0,0]=4 20306 B14R1.218 CCCCSCc1cc(ccc1O)F 62a_100000210211_100010161318 [0,2,0,0,0,0|2,0,0]=4 20307 B14R1.218 CCCCSCc1cc(ccc1O)F 62a_100010161318_100000210210 [0,2,0,0,0,0|2,0,0]=4 20308 B14R1.218 CCCNCCc1cc(ccc1C)C 2230a_200011485678_100000210303 [0,2,0,0,0,0|2,0,0]=4 20309 B14R1.218 CCCNCCc1cc(ccc1C)C 34a_200011485678_100000210303 [0,2,0,0,0,0|2,0,0]=4 20310 B14R1.218 CCCNCCc1cc(ccc1Cl)Cl 2230a_100000705354_100000210303 [0,2,0,0,0,0|2,0,0]=4 20311 B14R1.218 CCCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100000210303 [0,2,0,0,0,0|2,0,0]=4 20312 B14R1.218 CCCNCCc1cc(ccc1F)Cl 2230a_200011997525_100000210303 [0,2,0,0,0,0|2,0,0]=4 20313 B14R1.218 CCCNCCc1cc(ccc1F)Cl 34a_200011997525_100000210303 [0,2,0,0,0,0|2,0,0]=4 20314 B14R1.218 CCCOCCc1cc(ccc1Br)Cl 34a_100012426913_100000210303 [0,2,0,0,0,0|2,0,0]=4 20315 B14R1.218 CCCOCCc1cc(ccc1Br)Cl 7a_100012426913_100000210303 [0,2,0,0,0,0|2,0,0]=4 20316 B14R1.218 CCCOCCc1cc(ccc1C)C 34a_100011694955_100000210303 [0,2,0,0,0,0|2,0,0]=4 20317 B14R1.218 CCCOCCc1cc(ccc1C)C 7a_100011694955_100000210303 [0,2,0,0,0,0|2,0,0]=4 20318 B14R1.218 CCCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100000210303 [0,2,0,0,0,0|2,0,0]=4 20319 B14R1.218 CCCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100000210303 [0,2,0,0,0,0|2,0,0]=4 20320 B14R1.218 CCCOCCc1cc(ccc1F)F 34a_100000210258_100011755056 [0,2,0,0,0,0|2,0,0]=4 20321 B14R1.218 CCCOCCc1cc(ccc1F)F 34a_100011755048_100000210303 [0,2,0,0,0,0|2,0,0]=4 20322 B14R1.218 CCCOCCc1cc(ccc1F)F 7a_100011755048_100000210303 [0,2,0,0,0,0|2,0,0]=4 20323 B14R1.218 CCCSCCc1cc(ccc1F)F 62a_100000210303_100011755056 [0,2,0,0,0,0|2,0,0]=4 20324 B14R1.218 CCCSCCc1cc(ccc1F)F 62a_100011755056_100000210303 [0,2,0,0,0,0|2,0,0]=4 20325 B14R1.218 Cc1cc(c(cn1)Br)COCCCO 34a_100015579599_100000230001 [0,2,0,0,0,0|2,0,0]=4 20326 B14R1.218 Cc1cc(c(cn1)Br)OCCCCO 34a_100011016184_100011216708 [0,2,0,0,0,0|2,0,0]=4 20327 B14R1.218 Cc1cc(c(cn1)C)SCCCCO 62a_100000210776_100009862788 [0,2,0,0,0,0|2,0,0]=4 20328 B14R1.218 Cc1cc(c(cn1)C)SCCCCO 62a_100009862788_100000210776 [0,2,0,0,0,0|2,0,0]=4 20329 B14R1.218 Cc1cc(c(cn1)F)NCCCCO 27a_100000750430_100009867690 [0,2,0,0,0,0|2,0,0]=4 20330 B14R1.218 Cc1cc(c(cn1)F)SCCCCO 62a_100000210776_100009867690 [0,2,0,0,0,0|2,0,0]=4 20331 B14R1.218 Cc1cc(c(cn1)F)SCCCCO 62a_100009867690_100000210776 [0,2,0,0,0,0|2,0,0]=4 20332 B14R1.218 Cc1cc(c(cn1)O)SCCCCO 62a_100000210776_100009843476 [0,2,0,0,0,0|2,0,0]=4 20333 B14R1.218 Cc1cc(c(cn1)O)SCCCCO 62a_100009843476_100000210776 [0,2,0,0,0,0|2,0,0]=4 20334 B14R1.218 Cc1ccc(c(c1)CCNCCF)C 2230a_200011485678_100011217306 [0,2,0,0,0,0|2,0,0]=4 20335 B14R1.218 Cc1ccc(c(c1)CCNCCF)C 34a_200011485678_100011217306 [0,2,0,0,0,0|2,0,0]=4 20336 B14R1.218 Cc1ccc(c(c1)CCNCCO)C 2230a_200011485678_100000211926 [0,2,0,0,0,0|1,0,0]=3 20337 B14R1.218 Cc1ccc(c(c1)CCNCCO)C 34a_200011485678_100000211926 [0,2,0,0,0,0|1,0,0]=3 20338 B14R1.218 Cc1ccc(c(c1)CCOCCF)C 34a_100011694955_100011217306 [0,2,0,0,0,0|2,0,0]=4 20339 B14R1.218 Cc1ccc(c(c1)CCOCCF)C 7a_100011694955_100011217306 [0,2,0,0,0,0|2,0,0]=4 20340 B14R1.218 Cc1ccc(c(c1)CCOCCO)C 34a_100011694955_100000211926 [0,2,0,0,0,0|1,0,0]=3 20341 B14R1.218 Cc1ccc(c(c1)CCOCCO)C 7a_100011694955_100000211926 [0,2,0,0,0,0|1,0,0]=3 20342 B14R1.218 Cc1ccc(c(c1)CNCCCF)Br 207a_100015189416_100011551863 [0,2,0,0,0,0|2,0,0]=4 20343 B14R1.218 Cc1ccc(c(c1)CNCCCF)Br 270004a_100015189416_100011551863 [0,2,0,0,0,0|2,0,0]=4 20344 B14R1.218 Cc1ccc(c(c1)CNCCCF)C 207a_100015189416_100000211343 [0,2,0,0,0,0|2,0,0]=4 20345 B14R1.218 Cc1ccc(c(c1)CNCCCF)C 2230a_100015189416_100000184699 [0,2,0,0,0,0|2,0,0]=4 20346 B14R1.218 Cc1ccc(c(c1)CNCCCF)C 270004a_100015189416_100000211343 [0,2,0,0,0,0|2,0,0]=4 20347 B14R1.218 Cc1ccc(c(c1)CNCCCF)C 34a_100000174964_100011934791 [0,2,0,0,0,0|2,0,0]=4 20348 B14R1.218 Cc1ccc(c(c1)CNCCCF)C 34a_100015189416_100000184699 [0,2,0,0,0,0|2,0,0]=4 20349 B14R1.218 Cc1ccc(c(c1)CNCCCF)Cl 207a_100015189416_100011551332 [0,2,0,0,0,0|2,0,0]=4 20350 B14R1.218 Cc1ccc(c(c1)CNCCCF)Cl 2230a_100015189416_100009871730 [0,2,0,0,0,0|2,0,0]=4 20351 B14R1.218 Cc1ccc(c(c1)CNCCCF)Cl 2230a_100025705715_100011934791 [0,2,0,0,0,0|2,0,0]=4 20352 B14R1.218 Cc1ccc(c(c1)CNCCCF)Cl 270004a_100015189416_100011551332 [0,2,0,0,0,0|2,0,0]=4 20353 B14R1.218 Cc1ccc(c(c1)CNCCCF)Cl 34a_100015189416_100009871730 [0,2,0,0,0,0|2,0,0]=4 20354 B14R1.218 Cc1ccc(c(c1)CNCCCF)Cl 34a_100025705715_100011934791 [0,2,0,0,0,0|2,0,0]=4 20355 B14R1.218 Cc1ccc(c(c1)CNCCCF)F 207a_100015189416_100000756917 [0,2,0,0,0,0|2,0,0]=4 20356 B14R1.218 Cc1ccc(c(c1)CNCCCF)F 2230a_100015189416_100011260760 [0,2,0,0,0,0|2,0,0]=4 20357 B14R1.218 Cc1ccc(c(c1)CNCCCF)F 270004a_100015189416_100000756917 [0,2,0,0,0,0|2,0,0]=4 20358 B14R1.218 Cc1ccc(c(c1)CNCCCF)F 34a_100015189416_100011260760 [0,2,0,0,0,0|2,0,0]=4 20359 B14R1.218 Cc1ccc(c(c1)CNCCCF)F 34a_100102693586_100011934791 [0,2,0,0,0,0|2,0,0]=4 20360 B14R1.218 Cc1ccc(c(c1)CNCCCF)I 207a_100015189416_100010150105 [0,2,0,0,0,0|2,0,0]=4 20361 B14R1.218 Cc1ccc(c(c1)CNCCCF)I 270004a_100015189416_100010150105 [0,2,0,0,0,0|2,0,0]=4 20362 B14R1.218 Cc1ccc(c(c1)CNCCCO)Br 207a_100000182051_100011551863 [0,2,0,0,0,0|1,0,0]=3 20363 B14R1.218 Cc1ccc(c(c1)CNCCCO)Br 270004a_100000182051_100011551863 [0,2,0,0,0,0|1,0,0]=3 20364 B14R1.218 Cc1ccc(c(c1)CNCCCO)C 207a_100000182051_100000211343 [0,2,0,0,0,0|1,0,0]=3 20365 B14R1.218 Cc1ccc(c(c1)CNCCCO)C 270004a_100000182051_100000211343 [0,2,0,0,0,0|1,0,0]=3 20366 B14R1.218 Cc1ccc(c(c1)CNCCCO)C 34a_100000174964_100000230001 [0,2,0,0,0,0|1,0,0]=3 20367 B14R1.218 Cc1ccc(c(c1)CNCCCO)Cl 207a_100000182051_100011551332 [0,2,0,0,0,0|1,0,0]=3 20368 B14R1.218 Cc1ccc(c(c1)CNCCCO)Cl 2230a_100025705715_100000230001 [0,2,0,0,0,0|1,0,0]=3 20369 B14R1.218 Cc1ccc(c(c1)CNCCCO)Cl 270004a_100000182051_100011551332 [0,2,0,0,0,0|1,0,0]=3 20370 B14R1.218 Cc1ccc(c(c1)CNCCCO)Cl 34a_100025705715_100000230001 [0,2,0,0,0,0|1,0,0]=3 20371 B14R1.218 Cc1ccc(c(c1)CNCCCO)F 207a_100000182051_100000756917 [0,2,0,0,0,0|1,0,0]=3 20372 B14R1.218 Cc1ccc(c(c1)CNCCCO)F 270004a_100000182051_100000756917 [0,2,0,0,0,0|1,0,0]=3 20373 B14R1.218 Cc1ccc(c(c1)CNCCCO)F 34a_100102693586_100000230001 [0,2,0,0,0,0|1,0,0]=3 20374 B14R1.218 Cc1ccc(c(c1)CNCCCO)I 207a_100000182051_100010150105 [0,2,0,0,0,0|1,0,0]=3 20375 B14R1.218 Cc1ccc(c(c1)CNCCCO)I 270004a_100000182051_100010150105 [0,2,0,0,0,0|1,0,0]=3 20376 B14R1.218 Cc1ccc(c(c1)COCCCBr)C 34a_100011217188_100000184699 [0,2,0,0,0,0|2,0,0]=4 20377 B14R1.218 Cc1ccc(c(c1)COCCCBr)Cl 34a_100011217188_100009871730 [0,2,0,0,0,0|2,0,0]=4 20378 B14R1.218 Cc1ccc(c(c1)COCCCBr)F 34a_100011217188_100011260760 [0,2,0,0,0,0|2,0,0]=4 20379 B14R1.218 Cc1ccc(c(c1)COCCCCl)C 34a_100000230001_100000184699 [0,2,0,0,0,0|2,0,0]=4 20380 B14R1.218 Cc1ccc(c(c1)COCCCCl)Cl 34a_100000230001_100009871730 [0,2,0,0,0,0|2,0,0]=4 20381 B14R1.218 Cc1ccc(c(c1)COCCCCl)F 34a_100000230001_100011260760 [0,2,0,0,0,0|2,0,0]=4 20382 B14R1.218 Cc1ccc(c(c1)COCCCF)Br 34a_100012361352_100011934791 [0,2,0,0,0,0|2,0,0]=4 20383 B14R1.218 Cc1ccc(c(c1)COCCCF)Br 7a_100012361352_100011934791 [0,2,0,0,0,0|2,0,0]=4 20384 B14R1.218 Cc1ccc(c(c1)COCCCF)C 34a_100000759539_100000184699 [0,2,0,0,0,0|2,0,0]=4 20385 B14R1.218 Cc1ccc(c(c1)COCCCF)C 34a_200011215349_100011934791 [0,2,0,0,0,0|2,0,0]=4 20386 B14R1.218 Cc1ccc(c(c1)COCCCF)C 7a_200011215349_100011934791 [0,2,0,0,0,0|2,0,0]=4 20387 B14R1.218 Cc1ccc(c(c1)COCCCF)Cl 34a_100000759539_100009871730 [0,2,0,0,0,0|2,0,0]=4 20388 B14R1.218 Cc1ccc(c(c1)COCCCF)Cl 34a_100009878994_100011934791 [0,2,0,0,0,0|2,0,0]=4 20389 B14R1.218 Cc1ccc(c(c1)COCCCF)Cl 7a_100009878994_100011934791 [0,2,0,0,0,0|2,0,0]=4 20390 B14R1.218 Cc1ccc(c(c1)COCCCF)F 34a_100000759539_100011260760 [0,2,0,0,0,0|2,0,0]=4 20391 B14R1.218 Cc1ccc(c(c1)COCCCF)F 34a_100011692775_100011934791 [0,2,0,0,0,0|2,0,0]=4 20392 B14R1.218 Cc1ccc(c(c1)COCCCF)F 7a_100011692775_100011934791 [0,2,0,0,0,0|2,0,0]=4 20393 B14R1.218 Cc1ccc(c(c1)COCCCF)N 34a_100011215565_100011934791 [0,2,0,0,0,0|2,0,0]=4 20394 B14R1.218 Cc1ccc(c(c1)COCCCF)N 7a_100011215565_100011934791 [0,2,0,0,0,0|2,0,0]=4 20395 B14R1.218 Cc1ccc(c(c1)COCCCN)C 34a_100000182051_100000184699 [0,2,0,0,0,0|2,0,0]=4 20396 B14R1.218 Cc1ccc(c(c1)COCCCN)Cl 34a_100000182051_100009871730 [0,2,0,0,0,0|2,0,0]=4 20397 B14R1.218 Cc1ccc(c(c1)COCCCN)F 34a_100000182051_100011260760 [0,2,0,0,0,0|2,0,0]=4 20398 B14R1.218 Cc1ccc(c(c1)COCCCO)Br 34a_100012361352_100000230001 [0,2,0,0,0,0|1,0,0]=3 20399 B14R1.218 Cc1ccc(c(c1)COCCCO)Br 7a_100012361352_100011215043 [0,2,0,0,0,0|1,0,0]=3 20400 B14R1.218 Cc1ccc(c(c1)COCCCO)C 34a_200011215349_100000230001 [0,2,0,0,0,0|1,0,0]=3 20401 B14R1.218 Cc1ccc(c(c1)COCCCO)C 7a_200011215349_100011215043 [0,2,0,0,0,0|1,0,0]=3 20402 B14R1.218 Cc1ccc(c(c1)COCCCO)Cl 34a_100009878994_100000230001 [0,2,0,0,0,0|1,0,0]=3 20403 B14R1.218 Cc1ccc(c(c1)COCCCO)Cl 7a_100009878994_100011215043 [0,2,0,0,0,0|1,0,0]=3 20404 B14R1.218 Cc1ccc(c(c1)COCCCO)F 34a_100011692775_100000230001 [0,2,0,0,0,0|1,0,0]=3 20405 B14R1.218 Cc1ccc(c(c1)COCCCO)F 7a_100011692775_100011215043 [0,2,0,0,0,0|1,0,0]=3 20406 B14R1.218 Cc1ccc(c(c1)COCCCO)N 34a_100011215565_100000230001 [0,2,0,0,0,0|1,0,0]=3 20407 B14R1.218 Cc1ccc(c(c1)COCCCO)N 7a_100011215565_100011215043 [0,2,0,0,0,0|1,0,0]=3 20408 B14R1.218 Cc1ccc(c(c1)CSCCCF)C 62a_100000184699_100011934791 [0,2,0,0,0,0|2,0,0]=4 20409 B14R1.218 Cc1ccc(c(c1)CSCCCF)C 62a_100011934791_100000184699 [0,2,0,0,0,0|2,0,0]=4 20410 B14R1.218 Cc1ccc(c(c1)CSCCCF)Cl 62a_100009871730_100011934791 [0,2,0,0,0,0|2,0,0]=4 20411 B14R1.218 Cc1ccc(c(c1)CSCCCF)Cl 62a_100011934791_100009871730 [0,2,0,0,0,0|2,0,0]=4 20412 B14R1.218 Cc1ccc(c(c1)CSCCCF)F 62a_100011260760_100011934791 [0,2,0,0,0,0|2,0,0]=4 20413 B14R1.218 Cc1ccc(c(c1)CSCCCF)F 62a_100011934791_100011260760 [0,2,0,0,0,0|2,0,0]=4 20414 B14R1.218 Cc1ccc(c(c1)CSCCCO)C 62a_100000184699_100011215043 [0,2,0,0,0,0|1,0,0]=3 20415 B14R1.218 Cc1ccc(c(c1)CSCCCO)C 62a_100011215043_100000184699 [0,2,0,0,0,0|1,0,0]=3 20416 B14R1.218 Cc1ccc(c(c1)CSCCCO)Cl 62a_100009871730_100011215043 [0,2,0,0,0,0|1,0,0]=3 20417 B14R1.218 Cc1ccc(c(c1)CSCCCO)Cl 62a_100011215043_100009871730 [0,2,0,0,0,0|1,0,0]=3 20418 B14R1.218 Cc1ccc(c(c1)CSCCCO)F 62a_100011215043_100011260760 [0,2,0,0,0,0|1,0,0]=3 20419 B14R1.218 Cc1ccc(c(c1)CSCCCO)F 62a_100011260760_100011215043 [0,2,0,0,0,0|1,0,0]=3 20420 B14R1.218 Cc1ccc(c(c1)NCCCCF)Br 34a_100000745044_100000729493 [0,2,0,0,0,0|2,0,0]=4 20421 B14R1.218 Cc1ccc(c(c1)NCCCCF)C 2230a_100000185781_100000729493 [0,2,0,0,0,0|2,0,0]=4 20422 B14R1.218 Cc1ccc(c(c1)NCCCCF)C 34a_100000185781_100000729493 [0,2,0,0,0,0|2,0,0]=4 20423 B14R1.218 Cc1ccc(c(c1)NCCCCF)C 7a_100000185781_100000729493 [0,2,0,0,0,0|2,0,0]=4 20424 B14R1.218 Cc1ccc(c(c1)NCCCCF)Cl 34a_100011215360_100000729493 [0,2,0,0,0,0|2,0,0]=4 20425 B14R1.218 Cc1ccc(c(c1)NCCCCF)F 34a_100000211285_100000729493 [0,2,0,0,0,0|2,0,0]=4 20426 B14R1.218 Cc1ccc(c(c1)NCCCCF)I 34a_100011216686_100000729493 [0,2,0,0,0,0|2,0,0]=4 20427 B14R1.218 Cc1ccc(c(c1)NCCCCF)O 34a_100011215204_100000729493 [0,2,0,0,0,0|2,0,0]=4 20428 B14R1.218 Cc1ccc(c(c1)NCCCCO)Br 34a_100000745044_100011216708 [0,2,0,0,0,0|1,0,0]=3 20429 B14R1.218 Cc1ccc(c(c1)NCCCCO)C 2230a_100000185781_100000210776 [0,2,0,0,0,0|1,0,0]=3 20430 B14R1.218 Cc1ccc(c(c1)NCCCCO)C 34a_100000185781_100011216708 [0,2,0,0,0,0|1,0,0]=3 20431 B14R1.218 Cc1ccc(c(c1)NCCCCO)C 7a_100000185781_100000210776 [0,2,0,0,0,0|1,0,0]=3 20432 B14R1.218 Cc1ccc(c(c1)NCCCCO)Cl 34a_100011215360_100011216708 [0,2,0,0,0,0|1,0,0]=3 20433 B14R1.218 Cc1ccc(c(c1)NCCCCO)F 34a_100000211285_100011216708 [0,2,0,0,0,0|1,0,0]=3 20434 B14R1.218 Cc1ccc(c(c1)NCCCCO)I 34a_100011216686_100011216708 [0,2,0,0,0,0|1,0,0]=3 20435 B14R1.218 Cc1ccc(c(c1)NCCCCO)O 34a_100011215204_100011216708 [0,2,0,0,0,0|1,0,0]=3 20436 B14R1.218 Cc1ccc(c(c1)OCCCCF)Br 34a_100012002257_100000729493 [0,2,0,0,0,0|2,0,0]=4 20437 B14R1.218 Cc1ccc(c(c1)OCCCCF)Br 7a_100012002257_100000729493 [0,2,0,0,0,0|2,0,0]=4 20438 B14R1.218 Cc1ccc(c(c1)OCCCCF)C 34a_100000210931_100000729493 [0,2,0,0,0,0|2,0,0]=4 20439 B14R1.218 Cc1ccc(c(c1)OCCCCF)C 7a_100000210931_100000729493 [0,2,0,0,0,0|2,0,0]=4 20440 B14R1.218 Cc1ccc(c(c1)OCCCCF)Cl 34a_100000211493_100000729493 [0,2,0,0,0,0|2,0,0]=4 20441 B14R1.218 Cc1ccc(c(c1)OCCCCF)Cl 7a_100000211493_100000729493 [0,2,0,0,0,0|2,0,0]=4 20442 B14R1.218 Cc1ccc(c(c1)OCCCCF)F 34a_100000759540_100000729493 [0,2,0,0,0,0|2,0,0]=4 20443 B14R1.218 Cc1ccc(c(c1)OCCCCF)F 7a_100000759540_100000729493 [0,2,0,0,0,0|2,0,0]=4 20444 B14R1.218 Cc1ccc(c(c1)OCCCCF)N 34a_100000211527_100000729493 [0,2,0,0,0,0|2,0,0]=4 20445 B14R1.218 Cc1ccc(c(c1)OCCCCF)N 7a_100000211527_100000729493 [0,2,0,0,0,0|2,0,0]=4 20446 B14R1.218 Cc1ccc(c(c1)OCCCCO)Br 34a_100012002257_100011216708 [0,2,0,0,0,0|1,0,0]=3 20447 B14R1.218 Cc1ccc(c(c1)OCCCCO)Br 7a_100012002257_100000210776 [0,2,0,0,0,0|1,0,0]=3 20448 B14R1.218 Cc1ccc(c(c1)OCCCCO)C 34a_100000210931_100011216708 [0,2,0,0,0,0|1,0,0]=3 20449 B14R1.218 Cc1ccc(c(c1)OCCCCO)C 7a_100000210931_100000210776 [0,2,0,0,0,0|1,0,0]=3 20450 B14R1.218 Cc1ccc(c(c1)OCCCCO)Cl 34a_100000211493_100011216708 [0,2,0,0,0,0|1,0,0]=3 20451 B14R1.218 Cc1ccc(c(c1)OCCCCO)Cl 7a_100000211493_100000210776 [0,2,0,0,0,0|1,0,0]=3 20452 B14R1.218 Cc1ccc(c(c1)OCCCCO)F 34a_100000759540_100011216708 [0,2,0,0,0,0|1,0,0]=3 20453 B14R1.218 Cc1ccc(c(c1)OCCCCO)F 7a_100000759540_100000210776 [0,2,0,0,0,0|1,0,0]=3 20454 B14R1.218 Cc1ccc(c(c1)OCCCCO)N 34a_100000211527_100011216708 [0,2,0,0,0,0|1,0,0]=3 20455 B14R1.218 Cc1ccc(c(c1)OCCCCO)N 7a_100000211527_100000210776 [0,2,0,0,0,0|1,0,0]=3 20456 B14R1.218 Cc1ccc(c(c1)SCCCCF)Br 62a_100000729493_100012353751 [0,2,0,0,0,0|2,0,0]=4 20457 B14R1.218 Cc1ccc(c(c1)SCCCCF)Br 62a_100012353751_100000729493 [0,2,0,0,0,0|2,0,0]=4 20458 B14R1.218 Cc1ccc(c(c1)SCCCCF)C 62a_100000210833_100000729493 [0,2,0,0,0,0|2,0,0]=4 20459 B14R1.218 Cc1ccc(c(c1)SCCCCF)C 62a_100000729493_100000210833 [0,2,0,0,0,0|2,0,0]=4 20460 B14R1.218 Cc1ccc(c(c1)SCCCCF)Cl 62a_100000729493_100012356289 [0,2,0,0,0,0|2,0,0]=4 20461 B14R1.218 Cc1ccc(c(c1)SCCCCF)Cl 62a_100012356289_100000729493 [0,2,0,0,0,0|2,0,0]=4 20462 B14R1.218 Cc1ccc(c(c1)SCCCCF)F 62a_100000729493_100000736223 [0,2,0,0,0,0|2,0,0]=4 20463 B14R1.218 Cc1ccc(c(c1)SCCCCF)F 62a_100000736223_100000729493 [0,2,0,0,0,0|2,0,0]=4 20464 B14R1.218 Cc1ccc(c(c1)SCCCCF)N 62a_100000729493_100011356834 [0,2,0,0,0,0|2,0,0]=4 20465 B14R1.218 Cc1ccc(c(c1)SCCCCF)N 62a_100011356834_100000729493 [0,2,0,0,0,0|2,0,0]=4 20466 B14R1.218 Cc1ccc(c(c1)SCCCCF)O 62a_100000729493_100000765521 [0,2,0,0,0,0|2,0,0]=4 20467 B14R1.218 Cc1ccc(c(c1)SCCCCF)O 62a_100000765521_100000729493 [0,2,0,0,0,0|2,0,0]=4 20468 B14R1.218 Cc1ccc(c(c1)SCCCCO)Br 62a_100000210776_100012353751 [0,2,0,0,0,0|1,0,0]=3 20469 B14R1.218 Cc1ccc(c(c1)SCCCCO)Br 62a_100012353751_100000210776 [0,2,0,0,0,0|1,0,0]=3 20470 B14R1.218 Cc1ccc(c(c1)SCCCCO)C 62a_100000210776_100000210833 [0,2,0,0,0,0|1,0,0]=3 20471 B14R1.218 Cc1ccc(c(c1)SCCCCO)C 62a_100000210833_100000210776 [0,2,0,0,0,0|1,0,0]=3 20472 B14R1.218 Cc1ccc(c(c1)SCCCCO)Cl 62a_100000210776_100012356289 [0,2,0,0,0,0|1,0,0]=3 20473 B14R1.218 Cc1ccc(c(c1)SCCCCO)Cl 62a_100012356289_100000210776 [0,2,0,0,0,0|1,0,0]=3 20474 B14R1.218 Cc1ccc(c(c1)SCCCCO)F 62a_100000210776_100000736223 [0,2,0,0,0,0|1,0,0]=3 20475 B14R1.218 Cc1ccc(c(c1)SCCCCO)F 62a_100000736223_100000210776 [0,2,0,0,0,0|1,0,0]=3 20476 B14R1.218 Cc1ccc(c(c1)SCCCCO)N 62a_100000210776_100011356834 [0,2,0,0,0,0|1,0,0]=3 20477 B14R1.218 Cc1ccc(c(c1)SCCCCO)N 62a_100011356834_100000210776 [0,2,0,0,0,0|1,0,0]=3 20478 B14R1.218 Cc1ccc(c(c1)SCCCCO)O 62a_100000210776_100000765521 [0,2,0,0,0,0|1,0,0]=3 20479 B14R1.218 Cc1ccc(c(c1)SCCCCO)O 62a_100000765521_100000210776 [0,2,0,0,0,0|1,0,0]=3 20480 B14R1.218 Cc1ccc(c(n1)CNCCCO)Br 207a_100000182051_100010173661 [0,2,0,0,0,0|2,0,0]=4 20481 B14R1.218 Cc1ccc(c(n1)CNCCCO)Br 270004a_100000182051_100010173661 [0,2,0,0,0,0|2,0,0]=4 20482 B14R1.218 Cc1ccc(c(n1)COCCCO)Br 34a_100010074375_100000230001 [0,2,0,0,0,0|2,0,0]=4 20483 B14R1.218 Cc1ccc(c(n1)CSCCCO)Cl 62a_100011215043_200009852033 [0,2,0,0,0,0|2,0,0]=4 20484 B14R1.218 Cc1ccc(c(n1)CSCCCO)Cl 62a_200009852033_100011215043 [0,2,0,0,0,0|2,0,0]=4 20485 B14R1.218 Cc1ccc(c(n1)CSCCCO)O 62a_100011215043_100020630696 [0,2,0,0,0,0|2,0,0]=4 20486 B14R1.218 Cc1ccc(c(n1)CSCCCO)O 62a_100020630696_100011215043 [0,2,0,0,0,0|2,0,0]=4 20487 B14R1.218 Cc1ccc(c(n1)OCCCCO)Br 34a_100009817604_100011216708 [0,2,0,0,0,0|2,0,0]=4 20488 B14R1.218 Cc1ccc(c(n1)OCCCCO)N 34a_100000687486_100011216708 [0,2,0,0,0,0|2,0,0]=4 20489 B14R1.218 Cc1ccc(c(n1)SCCCCO)C 62a_100000210776_100009854376 [0,2,0,0,0,0|2,0,0]=4 20490 B14R1.218 Cc1ccc(c(n1)SCCCCO)C 62a_100009854376_100000210776 [0,2,0,0,0,0|2,0,0]=4 20491 B14R1.218 Cc1ccc(c(n1)SCCCCO)F 62a_100000210776_100009817602 [0,2,0,0,0,0|2,0,0]=4 20492 B14R1.218 Cc1ccc(c(n1)SCCCCO)F 62a_100009817602_100000210776 [0,2,0,0,0,0|2,0,0]=4 20493 B14R1.218 Cc1ccc(c(n1)SCCCCO)N 62a_100000210776_100000685570 [0,2,0,0,0,0|2,0,0]=4 20494 B14R1.218 Cc1ccc(c(n1)SCCCCO)N 62a_100000685570_100000210776 [0,2,0,0,0,0|2,0,0]=4 20495 B14R1.218 Cc1ccc(c(n1)SCCCCO)O 62a_100000210776_100000702858 [0,2,0,0,0,0|2,0,0]=4 20496 B14R1.218 Cc1ccc(c(n1)SCCCCO)O 62a_100000702858_100000210776 [0,2,0,0,0,0|2,0,0]=4 20497 B14R1.218 Cc1ccc(cc1CNCCCF)Br 207a_100015189416_100011361606 [0,2,0,0,0,0|2,0,0]=4 20498 B14R1.218 Cc1ccc(cc1CNCCCF)Br 270004a_100015189416_100011361606 [0,2,0,0,0,0|2,0,0]=4 20499 B14R1.218 Cc1ccc(cc1CNCCCF)Cl 207a_100015189416_100011551331 [0,2,0,0,0,0|2,0,0]=4 20500 B14R1.218 Cc1ccc(cc1CNCCCF)Cl 2230a_100015189416_100012186985 [0,2,0,0,0,0|2,0,0]=4 20501 B14R1.218 Cc1ccc(cc1CNCCCF)Cl 270004a_100015189416_100011551331 [0,2,0,0,0,0|2,0,0]=4 20502 B14R1.218 Cc1ccc(cc1CNCCCF)Cl 34a_100000717755_100011934791 [0,2,0,0,0,0|2,0,0]=4 20503 B14R1.218 Cc1ccc(cc1CNCCCF)Cl 34a_100015189416_100012186985 [0,2,0,0,0,0|2,0,0]=4 20504 B14R1.218 Cc1ccc(cc1CNCCCF)F 207a_100015189416_100000697687 [0,2,0,0,0,0|2,0,0]=4 20505 B14R1.218 Cc1ccc(cc1CNCCCF)F 2230a_100015189416_100000709795 [0,2,0,0,0,0|2,0,0]=4 20506 B14R1.218 Cc1ccc(cc1CNCCCF)F 270004a_100015189416_100000697687 [0,2,0,0,0,0|2,0,0]=4 20507 B14R1.218 Cc1ccc(cc1CNCCCF)F 34a_100011217291_100011934791 [0,2,0,0,0,0|2,0,0]=4 20508 B14R1.218 Cc1ccc(cc1CNCCCF)F 34a_100015189416_100000709795 [0,2,0,0,0,0|2,0,0]=4 20509 B14R1.218 Cc1ccc(cc1CNCCCF)O 34a_200009844824_100011934791 [0,2,0,0,0,0|2,0,0]=4 20510 B14R1.218 Cc1ccc(cc1CNCCCO)Br 207a_100000182051_100011361606 [0,2,0,0,0,0|1,0,0]=3 20511 B14R1.218 Cc1ccc(cc1CNCCCO)Br 270004a_100000182051_100011361606 [0,2,0,0,0,0|1,0,0]=3 20512 B14R1.218 Cc1ccc(cc1CNCCCO)Cl 207a_100000182051_100011551331 [0,2,0,0,0,0|1,0,0]=3 20513 B14R1.218 Cc1ccc(cc1CNCCCO)Cl 270004a_100000182051_100011551331 [0,2,0,0,0,0|1,0,0]=3 20514 B14R1.218 Cc1ccc(cc1CNCCCO)Cl 34a_100000717755_100000230001 [0,2,0,0,0,0|1,0,0]=3 20515 B14R1.218 Cc1ccc(cc1CNCCCO)F 207a_100000182051_100000697687 [0,2,0,0,0,0|1,0,0]=3 20516 B14R1.218 Cc1ccc(cc1CNCCCO)F 270004a_100000182051_100000697687 [0,2,0,0,0,0|1,0,0]=3 20517 B14R1.218 Cc1ccc(cc1CNCCCO)F 34a_100011217291_100000230001 [0,2,0,0,0,0|1,0,0]=3 20518 B14R1.218 Cc1ccc(cc1CNCCCO)O 34a_200009844824_100000230001 [0,2,0,0,0,0|1,0,0]=3 20519 B14R1.218 Cc1ccc(cc1COCCCBr)Cl 34a_100011217188_100012186985 [0,2,0,0,0,0|2,0,0]=4 20520 B14R1.218 Cc1ccc(cc1COCCCBr)F 34a_100011217188_100000709795 [0,2,0,0,0,0|2,0,0]=4 20521 B14R1.218 Cc1ccc(cc1COCCCCl)Cl 34a_100000230001_100012186985 [0,2,0,0,0,0|2,0,0]=4 20522 B14R1.218 Cc1ccc(cc1COCCCCl)F 34a_100000230001_100000709795 [0,2,0,0,0,0|2,0,0]=4 20523 B14R1.218 Cc1ccc(cc1COCCCF)Br 34a_100000700630_100011934791 [0,2,0,0,0,0|2,0,0]=4 20524 B14R1.218 Cc1ccc(cc1COCCCF)Br 7a_100000700630_100011934791 [0,2,0,0,0,0|2,0,0]=4 20525 B14R1.218 Cc1ccc(cc1COCCCF)Cl 34a_100000759539_100012186985 [0,2,0,0,0,0|2,0,0]=4 20526 B14R1.218 Cc1ccc(cc1COCCCF)Cl 34a_100012002407_100011934791 [0,2,0,0,0,0|2,0,0]=4 20527 B14R1.218 Cc1ccc(cc1COCCCF)Cl 7a_100012002407_100011934791 [0,2,0,0,0,0|2,0,0]=4 20528 B14R1.218 Cc1ccc(cc1COCCCF)F 34a_100000759539_100000709795 [0,2,0,0,0,0|2,0,0]=4 20529 B14R1.218 Cc1ccc(cc1COCCCF)F 34a_100011219218_100011934791 [0,2,0,0,0,0|2,0,0]=4 20530 B14R1.218 Cc1ccc(cc1COCCCF)F 7a_100011219218_100011934791 [0,2,0,0,0,0|2,0,0]=4 20531 B14R1.218 Cc1ccc(cc1COCCCF)I 34a_100010150140_100011934791 [0,2,0,0,0,0|2,0,0]=4 20532 B14R1.218 Cc1ccc(cc1COCCCF)I 7a_100010150140_100011934791 [0,2,0,0,0,0|2,0,0]=4 20533 B14R1.218 Cc1ccc(cc1COCCCN)Cl 34a_100000182051_100012186985 [0,2,0,0,0,0|2,0,0]=4 20534 B14R1.218 Cc1ccc(cc1COCCCN)F 34a_100000182051_100000709795 [0,2,0,0,0,0|2,0,0]=4 20535 B14R1.218 Cc1ccc(cc1COCCCO)Br 34a_100000700630_100000230001 [0,2,0,0,0,0|1,0,0]=3 20536 B14R1.218 Cc1ccc(cc1COCCCO)Br 7a_100000700630_100011215043 [0,2,0,0,0,0|1,0,0]=3 20537 B14R1.218 Cc1ccc(cc1COCCCO)Cl 34a_100012002407_100000230001 [0,2,0,0,0,0|1,0,0]=3 20538 B14R1.218 Cc1ccc(cc1COCCCO)Cl 7a_100012002407_100011215043 [0,2,0,0,0,0|1,0,0]=3 20539 B14R1.218 Cc1ccc(cc1COCCCO)F 34a_100011219218_100000230001 [0,2,0,0,0,0|1,0,0]=3 20540 B14R1.218 Cc1ccc(cc1COCCCO)F 7a_100011219218_100011215043 [0,2,0,0,0,0|1,0,0]=3 20541 B14R1.218 Cc1ccc(cc1COCCCO)I 34a_100010150140_100000230001 [0,2,0,0,0,0|1,0,0]=3 20542 B14R1.218 Cc1ccc(cc1COCCCO)I 7a_100010150140_100011215043 [0,2,0,0,0,0|1,0,0]=3 20543 B14R1.218 Cc1ccc(cc1CSCCCF)Cl 62a_100011934791_100012186985 [0,2,0,0,0,0|2,0,0]=4 20544 B14R1.218 Cc1ccc(cc1CSCCCF)Cl 62a_100012186985_100011934791 [0,2,0,0,0,0|2,0,0]=4 20545 B14R1.218 Cc1ccc(cc1CSCCCF)F 62a_100000709795_100011934791 [0,2,0,0,0,0|2,0,0]=4 20546 B14R1.218 Cc1ccc(cc1CSCCCF)F 62a_100011934791_100000709795 [0,2,0,0,0,0|2,0,0]=4 20547 B14R1.218 Cc1ccc(cc1CSCCCO)Cl 62a_100011215043_100012186985 [0,2,0,0,0,0|1,0,0]=3 20548 B14R1.218 Cc1ccc(cc1CSCCCO)Cl 62a_100012186985_100011215043 [0,2,0,0,0,0|1,0,0]=3 20549 B14R1.218 Cc1ccc(cc1CSCCCO)F 62a_100000709795_100011215043 [0,2,0,0,0,0|1,0,0]=3 20550 B14R1.218 Cc1ccc(cc1CSCCCO)F 62a_100011215043_100000709795 [0,2,0,0,0,0|1,0,0]=3 20551 B14R1.218 Cc1ccc(cc1NCCCCF)Br 34a_100000741167_100000729493 [0,2,0,0,0,0|2,0,0]=4 20552 B14R1.218 Cc1ccc(cc1NCCCCF)Br 7a_100000741167_100000729493 [0,2,0,0,0,0|2,0,0]=4 20553 B14R1.218 Cc1ccc(cc1NCCCCF)Cl 34a_100000211374_100000729493 [0,2,0,0,0,0|2,0,0]=4 20554 B14R1.218 Cc1ccc(cc1NCCCCF)Cl 7a_100000211374_100000729493 [0,2,0,0,0,0|2,0,0]=4 20555 B14R1.218 Cc1ccc(cc1NCCCCF)F 34a_100000211107_100000729493 [0,2,0,0,0,0|2,0,0]=4 20556 B14R1.218 Cc1ccc(cc1NCCCCF)F 7a_100000211107_100000729493 [0,2,0,0,0,0|2,0,0]=4 20557 B14R1.218 Cc1ccc(cc1NCCCCF)I 7a_100000761890_100000729493 [0,2,0,0,0,0|2,0,0]=4 20558 B14R1.218 Cc1ccc(cc1NCCCCF)O 34a_100011216113_100000729493 [0,2,0,0,0,0|2,0,0]=4 20559 B14R1.218 Cc1ccc(cc1NCCCCO)Br 34a_100000741167_100011216708 [0,2,0,0,0,0|1,0,0]=3 20560 B14R1.218 Cc1ccc(cc1NCCCCO)Br 7a_100000741167_100000210776 [0,2,0,0,0,0|1,0,0]=3 20561 B14R1.218 Cc1ccc(cc1NCCCCO)Cl 34a_100000211374_100011216708 [0,2,0,0,0,0|1,0,0]=3 20562 B14R1.218 Cc1ccc(cc1NCCCCO)Cl 7a_100000211374_100000210776 [0,2,0,0,0,0|1,0,0]=3 20563 B14R1.218 Cc1ccc(cc1NCCCCO)F 34a_100000211107_100011216708 [0,2,0,0,0,0|1,0,0]=3 20564 B14R1.218 Cc1ccc(cc1NCCCCO)F 7a_100000211107_100000210776 [0,2,0,0,0,0|1,0,0]=3 20565 B14R1.218 Cc1ccc(cc1NCCCCO)I 7a_100000761890_100000210776 [0,2,0,0,0,0|1,0,0]=3 20566 B14R1.218 Cc1ccc(cc1NCCCCO)O 34a_100011216113_100011216708 [0,2,0,0,0,0|1,0,0]=3 20567 B14R1.218 Cc1ccc(cc1OCCCCF)Br 34a_100000685420_100000729493 [0,2,0,0,0,0|2,0,0]=4 20568 B14R1.218 Cc1ccc(cc1OCCCCF)Br 7a_100000685420_100000729493 [0,2,0,0,0,0|2,0,0]=4 20569 B14R1.218 Cc1ccc(cc1OCCCCF)Cl 34a_100000756515_100000729493 [0,2,0,0,0,0|2,0,0]=4 20570 B14R1.218 Cc1ccc(cc1OCCCCF)Cl 7a_100000756515_100000729493 [0,2,0,0,0,0|2,0,0]=4 20571 B14R1.218 Cc1ccc(cc1OCCCCF)F 34a_100000690566_100000729493 [0,2,0,0,0,0|2,0,0]=4 20572 B14R1.218 Cc1ccc(cc1OCCCCF)F 7a_100000690566_100000729493 [0,2,0,0,0,0|2,0,0]=4 20573 B14R1.218 Cc1ccc(cc1OCCCCF)I 7a_100000766334_100000729493 [0,2,0,0,0,0|2,0,0]=4 20574 B14R1.218 Cc1ccc(cc1OCCCCF)N 34a_100000759471_100000729493 [0,2,0,0,0,0|2,0,0]=4 20575 B14R1.218 Cc1ccc(cc1OCCCCF)N 7a_100000759471_100000729493 [0,2,0,0,0,0|2,0,0]=4 20576 B14R1.218 Cc1ccc(cc1OCCCCO)Br 34a_100000685420_100011216708 [0,2,0,0,0,0|1,0,0]=3 20577 B14R1.218 Cc1ccc(cc1OCCCCO)Br 7a_100000685420_100000210776 [0,2,0,0,0,0|1,0,0]=3 20578 B14R1.218 Cc1ccc(cc1OCCCCO)Cl 34a_100000756515_100011216708 [0,2,0,0,0,0|1,0,0]=3 20579 B14R1.218 Cc1ccc(cc1OCCCCO)Cl 7a_100000756515_100000210776 [0,2,0,0,0,0|1,0,0]=3 20580 B14R1.218 Cc1ccc(cc1OCCCCO)F 34a_100000690566_100011216708 [0,2,0,0,0,0|1,0,0]=3 20581 B14R1.218 Cc1ccc(cc1OCCCCO)F 7a_100000690566_100000210776 [0,2,0,0,0,0|1,0,0]=3 20582 B14R1.218 Cc1ccc(cc1OCCCCO)I 7a_100000766334_100000210776 [0,2,0,0,0,0|1,0,0]=3 20583 B14R1.218 Cc1ccc(cc1OCCCCO)N 34a_100000759471_100011216708 [0,2,0,0,0,0|1,0,0]=3 20584 B14R1.218 Cc1ccc(cc1OCCCCO)N 7a_100000759471_100000210776 [0,2,0,0,0,0|1,0,0]=3 20585 B14R1.218 Cc1ccc(cc1SCCCCF)Br 62a_100000729493_100011344865 [0,2,0,0,0,0|2,0,0]=4 20586 B14R1.218 Cc1ccc(cc1SCCCCF)Br 62a_100011344865_100000729493 [0,2,0,0,0,0|2,0,0]=4 20587 B14R1.218 Cc1ccc(cc1SCCCCF)Cl 62a_100000729493_100011263213 [0,2,0,0,0,0|2,0,0]=4 20588 B14R1.218 Cc1ccc(cc1SCCCCF)Cl 62a_100011263213_100000729493 [0,2,0,0,0,0|2,0,0]=4 20589 B14R1.218 Cc1ccc(cc1SCCCCF)F 62a_100000729493_100011218078 [0,2,0,0,0,0|2,0,0]=4 20590 B14R1.218 Cc1ccc(cc1SCCCCF)F 62a_100011218078_100000729493 [0,2,0,0,0,0|2,0,0]=4 20591 B14R1.218 Cc1ccc(cc1SCCCCF)N 62a_100000729493_100000736455 [0,2,0,0,0,0|2,0,0]=4 20592 B14R1.218 Cc1ccc(cc1SCCCCF)N 62a_100000736455_100000729493 [0,2,0,0,0,0|2,0,0]=4 20593 B14R1.218 Cc1ccc(cc1SCCCCF)O 62a_100000729493_100011380479 [0,2,0,0,0,0|2,0,0]=4 20594 B14R1.218 Cc1ccc(cc1SCCCCF)O 62a_100011380479_100000729493 [0,2,0,0,0,0|2,0,0]=4 20595 B14R1.218 Cc1ccc(cc1SCCCCO)Br 62a_100000210776_100011344865 [0,2,0,0,0,0|1,0,0]=3 20596 B14R1.218 Cc1ccc(cc1SCCCCO)Br 62a_100011344865_100000210776 [0,2,0,0,0,0|1,0,0]=3 20597 B14R1.218 Cc1ccc(cc1SCCCCO)Cl 62a_100000210776_100011263213 [0,2,0,0,0,0|1,0,0]=3 20598 B14R1.218 Cc1ccc(cc1SCCCCO)Cl 62a_100011263213_100000210776 [0,2,0,0,0,0|1,0,0]=3 20599 B14R1.218 Cc1ccc(cc1SCCCCO)F 62a_100000210776_100011218078 [0,2,0,0,0,0|1,0,0]=3 20600 B14R1.218 Cc1ccc(cc1SCCCCO)F 62a_100011218078_100000210776 [0,2,0,0,0,0|1,0,0]=3 20601 B14R1.218 Cc1ccc(cc1SCCCCO)N 62a_100000210776_100000736455 [0,2,0,0,0,0|1,0,0]=3 20602 B14R1.218 Cc1ccc(cc1SCCCCO)N 62a_100000736455_100000210776 [0,2,0,0,0,0|1,0,0]=3 20603 B14R1.218 Cc1ccc(cc1SCCCCO)O 62a_100000210776_100011380479 [0,2,0,0,0,0|1,0,0]=3 20604 B14R1.218 Cc1ccc(cc1SCCCCO)O 62a_100011380479_100000210776 [0,2,0,0,0,0|1,0,0]=3 20605 B14R1.218 Cc1ccc(nc1SCCCCO)N 62a_100000126722_100000210776 [0,2,0,0,0,0|2,0,0]=4 20606 B14R1.218 Cc1ccc(nc1SCCCCO)N 62a_100000210776_100000126722 [0,2,0,0,0,0|2,0,0]=4 20607 B14R1.218 Cc1cnc(c(c1)CNCCCO)Cl 207a_100000182051_100000050350 [0,2,0,0,0,0|2,0,0]=4 20608 B14R1.218 Cc1cnc(c(c1)CNCCCO)F 207a_100000182051_100009854360 [0,2,0,0,0,0|2,0,0]=4 20609 B14R1.218 Cc1cnc(c(c1)COCCCO)Cl 34a_100000118064_100000230001 [0,2,0,0,0,0|2,0,0]=4 20610 B14R1.218 Cc1cnc(c(c1)COCCCO)Cl 7a_100000118064_100011215043 [0,2,0,0,0,0|2,0,0]=4 20611 B14R1.218 Cc1cnc(c(c1)NCCCCO)F 27a_100000750430_100009820679 [0,2,0,0,0,0|2,0,0]=4 20612 B14R1.218 Cc1cnc(c(c1)OCCCCO)Cl 34a_100012000487_100011216708 [0,2,0,0,0,0|2,0,0]=4 20613 B14R1.218 Cc1cnc(c(c1)OCCCCO)Cl 7a_100012000487_100000210776 [0,2,0,0,0,0|2,0,0]=4 20614 B14R1.218 Cc1cnc(c(c1)OCCCCO)F 34a_100009849810_100011216708 [0,2,0,0,0,0|2,0,0]=4 20615 B14R1.218 Cc1cnc(c(c1)OCCCCO)F 7a_100009849810_100000210776 [0,2,0,0,0,0|2,0,0]=4 20616 B14R1.218 Cc1cnc(c(c1)SCCCCO)C 62a_100000210776_100009817436 [0,2,0,0,0,0|2,0,0]=4 20617 B14R1.218 Cc1cnc(c(c1)SCCCCO)C 62a_100009817436_100000210776 [0,2,0,0,0,0|2,0,0]=4 20618 B14R1.218 Cc1cnc(c(c1)SCCCCO)Cl 62a_100000210776_100010210167 [0,2,0,0,0,0|2,0,0]=4 20619 B14R1.218 Cc1cnc(c(c1)SCCCCO)Cl 62a_100010210167_100000210776 [0,2,0,0,0,0|2,0,0]=4 20620 B14R1.218 Cc1cnc(c(c1)SCCCCO)F 62a_100000049784_100000210776 [0,2,0,0,0,0|2,0,0]=4 20621 B14R1.218 Cc1cnc(c(c1)SCCCCO)F 62a_100000210776_100000049784 [0,2,0,0,0,0|2,0,0]=4 20622 B14R1.218 Cc1cnc(c(c1)SCCCCO)N 62a_100000049664_100000210776 [0,2,0,0,0,0|2,0,0]=4 20623 B14R1.218 Cc1cnc(c(c1)SCCCCO)N 62a_100000210776_100000049664 [0,2,0,0,0,0|2,0,0]=4 20624 B14R1.218 Cc1cnc(c(c1)SCCCCO)O 62a_100000210776_100000719714 [0,2,0,0,0,0|2,0,0]=4 20625 B14R1.218 Cc1cnc(c(c1)SCCCCO)O 62a_100000719714_100000210776 [0,2,0,0,0,0|2,0,0]=4 20626 B14R1.218 Cc1cnc(cc1NCCCCO)F 27a_100000750430_100000049870 [0,2,0,0,0,0|2,0,0]=4 20627 B14R1.218 Cc1cnc(cc1OCCCCO)Br 34a_100000704368_100011216708 [0,2,0,0,0,0|2,0,0]=4 20628 B14R1.218 Cc1cnc(cc1OCCCCO)Br 7a_100000704368_100000210776 [0,2,0,0,0,0|2,0,0]=4 20629 B14R1.218 Cc1cnc(cc1SCCCCO)Br 62a_100000210776_100010067628 [0,2,0,0,0,0|2,0,0]=4 20630 B14R1.218 Cc1cnc(cc1SCCCCO)Br 62a_100010067628_100000210776 [0,2,0,0,0,0|2,0,0]=4 20631 B14R1.218 Cc1cnc(cc1SCCCCO)Cl 62a_100000210776_100010068021 [0,2,0,0,0,0|2,0,0]=4 20632 B14R1.218 Cc1cnc(cc1SCCCCO)Cl 62a_100010068021_100000210776 [0,2,0,0,0,0|2,0,0]=4 20633 B14R1.218 Cc1cnc(cc1SCCCCO)F 62a_100000049870_100000210776 [0,2,0,0,0,0|2,0,0]=4 20634 B14R1.218 Cc1cnc(cc1SCCCCO)F 62a_100000210776_100000049870 [0,2,0,0,0,0|2,0,0]=4 20635 B14R1.218 Cc1cnc(cc1SCCCCO)N 62a_100000210776_100009819938 [0,2,0,0,0,0|2,0,0]=4 20636 B14R1.218 Cc1cnc(cc1SCCCCO)N 62a_100009819938_100000210776 [0,2,0,0,0,0|2,0,0]=4 20637 B14R1.218 Cc1cnc(cc1SCCCCO)O 62a_100000210776_100009831917 [0,2,0,0,0,0|2,0,0]=4 20638 B14R1.218 Cc1cnc(cc1SCCCCO)O 62a_100009831917_100000210776 [0,2,0,0,0,0|2,0,0]=4 20639 B14R1.218 Cc1ncc(cc1CNCCCO)Cl 207a_100000182051_100000100030 [0,2,0,0,0,0|2,0,0]=4 20640 B14R1.218 Cc1ncc(cc1CNCCCO)Cl 270004a_100000182051_100000100030 [0,2,0,0,0,0|2,0,0]=4 20641 B14R1.218 Cc1ncc(cc1COCCCO)Br 34a_100010894652_100000230001 [0,2,0,0,0,0|2,0,0]=4 20642 B14R1.218 Cc1ncc(cc1COCCCO)Br 7a_100010894652_100011215043 [0,2,0,0,0,0|2,0,0]=4 20643 B14R1.218 Cc1ncc(cc1OCCCCO)Br 34a_100009864810_100011216708 [0,2,0,0,0,0|2,0,0]=4 20644 B14R1.218 Cc1ncc(cc1OCCCCO)Br 7a_100009864810_100000210776 [0,2,0,0,0,0|2,0,0]=4 20645 B14R1.218 Cc1ncc(cc1SCCCCO)Br 62a_100000210776_200010090566 [0,2,0,0,0,0|2,0,0]=4 20646 B14R1.218 Cc1ncc(cc1SCCCCO)Br 62a_200010090566_100000210776 [0,2,0,0,0,0|2,0,0]=4 20647 B14R1.218 Cc1ncc(cc1SCCCCO)F 62a_100000210776_100009860710 [0,2,0,0,0,0|2,0,0]=4 20648 B14R1.218 Cc1ncc(cc1SCCCCO)F 62a_100009860710_100000210776 [0,2,0,0,0,0|2,0,0]=4 20649 B14R1.218 Cc1ncc(cc1SCCCCO)N 62a_100000210776_100011998591 [0,2,0,0,0,0|2,0,0]=4 20650 B14R1.218 Cc1ncc(cc1SCCCCO)N 62a_100011998591_100000210776 [0,2,0,0,0,0|2,0,0]=4 20651 B14R1.218 Cc1ncc(cc1SCCCCO)O 62a_100000210776_100009819603 [0,2,0,0,0,0|2,0,0]=4 20652 B14R1.218 Cc1ncc(cc1SCCCCO)O 62a_100009819603_100000210776 [0,2,0,0,0,0|2,0,0]=4 20653 B14R1.218 ClCCCOCc1cc(ccc1Br)Br 34a_100000230001_100011982794 [0,2,0,0,0,0|2,0,0]=4 20654 B14R1.218 ClCCCOCc1cc(ccc1Br)Cl 34a_100000230001_100000733903 [0,2,0,0,0,0|2,0,0]=4 20655 B14R1.218 ClCCCOCc1cc(ccc1Br)I 34a_100000230001_100012355412 [0,2,0,0,0,0|2,0,0]=4 20656 B14R1.218 ClCCCOCc1cc(ccc1Cl)Br 34a_100000230001_100000763347 [0,2,0,0,0,0|2,0,0]=4 20657 B14R1.218 ClCCCOCc1cc(ccc1Cl)Cl 34a_100000230001_100000756322 [0,2,0,0,0,0|2,0,0]=4 20658 B14R1.218 ClCCCOCc1cc(ccc1Cl)I 34a_100000230001_100010188191 [0,2,0,0,0,0|2,0,0]=4 20659 B14R1.218 ClCCCOCc1cc(ccc1I)Br 34a_100000230001_100012362523 [0,2,0,0,0,0|2,0,0]=4 20660 B14R1.218 ClCCCOCc1cc(ccc1I)Cl 34a_100000230001_100012348826 [0,2,0,0,0,0|2,0,0]=4 20661 B14R1.218 Clc1ccc(c(c1)COCCCBr)Br 34a_100011217188_100000733903 [0,2,0,0,0,0|2,0,0]=4 20662 B14R1.218 Clc1ccc(c(c1)COCCCBr)Cl 34a_100011217188_100000756322 [0,2,0,0,0,0|2,0,0]=4 20663 B14R1.218 Clc1ccc(c(c1)COCCCBr)I 34a_100011217188_100012348826 [0,2,0,0,0,0|2,0,0]=4 20664 B14R1.218 Clc1ccc(cc1COCCCBr)Br 34a_100011217188_100000763347 [0,2,0,0,0,0|2,0,0]=4 20665 B14R1.218 Clc1ccc(cc1COCCCBr)I 34a_100011217188_100010188191 [0,2,0,0,0,0|2,0,0]=4 20666 B14R1.218 Cn1ccc(=O)c(c1)SCCCCO 62a_100000210776_100010750718 [0,2,0,0,0,0|2,0,0]=4 20667 B14R1.218 Cn1ccc(=O)c(c1)SCCCCO 62a_100010750718_100000210776 [0,2,0,0,0,0|2,0,0]=4 20668 B14R1.218 FCCCCNc1cc(ccc1Br)Br 34a_100000737762_100000729493 [0,2,0,0,0,0|2,0,0]=4 20669 B14R1.218 FCCCCNc1cc(ccc1Br)Cl 34a_100000687073_100000729493 [0,2,0,0,0,0|2,0,0]=4 20670 B14R1.218 FCCCCNc1cc(ccc1Br)F 34a_100000687223_100000729493 [0,2,0,0,0,0|2,0,0]=4 20671 B14R1.218 FCCCCNc1cc(ccc1Cl)Br 34a_100000750497_100000729493 [0,2,0,0,0,0|2,0,0]=4 20672 B14R1.218 FCCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100000729493 [0,2,0,0,0,0|2,0,0]=4 20673 B14R1.218 FCCCCNc1cc(ccc1Cl)F 34a_100000751338_100000729493 [0,2,0,0,0,0|2,0,0]=4 20674 B14R1.218 FCCCCNc1cc(ccc1Cl)I 34a_200000761891_100000729493 [0,2,0,0,0,0|2,0,0]=4 20675 B14R1.218 FCCCCNc1cc(ccc1F)Br 34a_100000740924_100000729493 [0,2,0,0,0,0|2,0,0]=4 20676 B14R1.218 FCCCCNc1cc(ccc1F)Cl 34a_100000212115_100000729493 [0,2,0,0,0,0|2,0,0]=4 20677 B14R1.218 FCCCCNc1cc(ccc1F)F 34a_100000210742_100000729493 [0,2,0,0,0,0|2,0,0]=4 20678 B14R1.218 FCCCCNc1cc(ccc1F)I 34a_100011464823_100000729493 [0,2,0,0,0,0|2,0,0]=4 20679 B14R1.218 FCCCCNc1cc(ccc1I)Br 34a_100000743836_100000729493 [0,2,0,0,0,0|2,0,0]=4 20680 B14R1.218 FCCCCNc1cc(ccc1I)Cl 34a_100000761886_100000729493 [0,2,0,0,0,0|2,0,0]=4 20681 B14R1.218 FCCCCNc1cc(ccc1I)F 34a_100011218093_100000729493 [0,2,0,0,0,0|2,0,0]=4 20682 B14R1.218 FCCCCOc1cc(ccc1Br)Br 34a_100011220040_100000729493 [0,2,0,0,0,0|2,0,0]=4 20683 B14R1.218 FCCCCOc1cc(ccc1Br)Br 7a_100011220040_100000729493 [0,2,0,0,0,0|2,0,0]=4 20684 B14R1.218 FCCCCOc1cc(ccc1Br)Cl 34a_100012339455_100000729493 [0,2,0,0,0,0|2,0,0]=4 20685 B14R1.218 FCCCCOc1cc(ccc1Br)Cl 7a_100012339455_100000729493 [0,2,0,0,0,0|2,0,0]=4 20686 B14R1.218 FCCCCOc1cc(ccc1Br)F 34a_100000690578_100000729493 [0,2,0,0,0,0|2,0,0]=4 20687 B14R1.218 FCCCCOc1cc(ccc1Br)F 7a_100000690578_100000729493 [0,2,0,0,0,0|2,0,0]=4 20688 B14R1.218 FCCCCOc1cc(ccc1Br)I 34a_100012356990_100000729493 [0,2,0,0,0,0|2,0,0]=4 20689 B14R1.218 FCCCCOc1cc(ccc1Br)I 7a_100012356990_100000729493 [0,2,0,0,0,0|2,0,0]=4 20690 B14R1.218 FCCCCOc1cc(ccc1Cl)Br 34a_100000738945_100000729493 [0,2,0,0,0,0|2,0,0]=4 20691 B14R1.218 FCCCCOc1cc(ccc1Cl)Br 7a_100000738945_100000729493 [0,2,0,0,0,0|2,0,0]=4 20692 B14R1.218 FCCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000729493 [0,2,0,0,0,0|2,0,0]=4 20693 B14R1.218 FCCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000729493 [0,2,0,0,0,0|2,0,0]=4 20694 B14R1.218 FCCCCOc1cc(ccc1Cl)F 34a_100000692107_100000729493 [0,2,0,0,0,0|2,0,0]=4 20695 B14R1.218 FCCCCOc1cc(ccc1Cl)F 7a_100000692107_100000729493 [0,2,0,0,0,0|2,0,0]=4 20696 B14R1.218 FCCCCOc1cc(ccc1Cl)I 34a_100011356854_100000729493 [0,2,0,0,0,0|2,0,0]=4 20697 B14R1.218 FCCCCOc1cc(ccc1Cl)I 7a_100011356854_100000729493 [0,2,0,0,0,0|2,0,0]=4 20698 B14R1.218 FCCCCOc1cc(ccc1F)Br 34a_100000686035_100000729493 [0,2,0,0,0,0|2,0,0]=4 20699 B14R1.218 FCCCCOc1cc(ccc1F)Br 7a_100000686035_100000729493 [0,2,0,0,0,0|2,0,0]=4 20700 B14R1.218 FCCCCOc1cc(ccc1F)Cl 34a_100000757397_100000729493 [0,2,0,0,0,0|2,0,0]=4 20701 B14R1.218 FCCCCOc1cc(ccc1F)Cl 7a_100000757397_100000729493 [0,2,0,0,0,0|2,0,0]=4 20702 B14R1.218 FCCCCOc1cc(ccc1F)F 34a_100000752141_100000729493 [0,2,0,0,0,0|2,0,0]=4 20703 B14R1.218 FCCCCOc1cc(ccc1F)F 7a_100000752141_100000729493 [0,2,0,0,0,0|2,0,0]=4 20704 B14R1.218 FCCCCOc1cc(ccc1F)I 34a_100009958187_100000729493 [0,2,0,0,0,0|2,0,0]=4 20705 B14R1.218 FCCCCOc1cc(ccc1F)I 7a_100009958187_100000729493 [0,2,0,0,0,0|2,0,0]=4 20706 B14R1.218 FCCCCOc1cc(ccc1I)Br 34a_100012344904_100000729493 [0,2,0,0,0,0|2,0,0]=4 20707 B14R1.218 FCCCCOc1cc(ccc1I)Br 7a_100012344904_100000729493 [0,2,0,0,0,0|2,0,0]=4 20708 B14R1.218 FCCCCOc1cc(ccc1I)Cl 34a_100000050036_100000729493 [0,2,0,0,0,0|2,0,0]=4 20709 B14R1.218 FCCCCOc1cc(ccc1I)Cl 7a_100000050036_100000729493 [0,2,0,0,0,0|2,0,0]=4 20710 B14R1.218 FCCCCOc1cc(ccc1I)F 34a_100010084537_100000729493 [0,2,0,0,0,0|2,0,0]=4 20711 B14R1.218 FCCCCOc1cc(ccc1I)F 7a_100010084537_100000729493 [0,2,0,0,0,0|2,0,0]=4 20712 B14R1.218 FCCCCSc1cc(ccc1Br)Br 62a_100000729493_100011483371 [0,2,0,0,0,0|2,0,0]=4 20713 B14R1.218 FCCCCSc1cc(ccc1Br)Br 62a_100011483371_100000729493 [0,2,0,0,0,0|2,0,0]=4 20714 B14R1.218 FCCCCSc1cc(ccc1Br)Cl 62a_100000729493_100012339723 [0,2,0,0,0,0|2,0,0]=4 20715 B14R1.218 FCCCCSc1cc(ccc1Br)Cl 62a_100012339723_100000729493 [0,2,0,0,0,0|2,0,0]=4 20716 B14R1.218 FCCCCSc1cc(ccc1Br)F 62a_100000729493_100011217576 [0,2,0,0,0,0|2,0,0]=4 20717 B14R1.218 FCCCCSc1cc(ccc1Br)F 62a_100011217576_100000729493 [0,2,0,0,0,0|2,0,0]=4 20718 B14R1.218 FCCCCSc1cc(ccc1Cl)Br 62a_100000729493_100011772130 [0,2,0,0,0,0|2,0,0]=4 20719 B14R1.218 FCCCCSc1cc(ccc1Cl)Br 62a_100011772130_100000729493 [0,2,0,0,0,0|2,0,0]=4 20720 B14R1.218 FCCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000729493 [0,2,0,0,0,0|2,0,0]=4 20721 B14R1.218 FCCCCSc1cc(ccc1Cl)Cl 62a_100000729493_100000707729 [0,2,0,0,0,0|2,0,0]=4 20722 B14R1.218 FCCCCSc1cc(ccc1Cl)F 62a_100000729493_100011217299 [0,2,0,0,0,0|2,0,0]=4 20723 B14R1.218 FCCCCSc1cc(ccc1Cl)F 62a_100011217299_100000729493 [0,2,0,0,0,0|2,0,0]=4 20724 B14R1.218 FCCCCSc1cc(ccc1F)Br 62a_100000729493_100011217312 [0,2,0,0,0,0|2,0,0]=4 20725 B14R1.218 FCCCCSc1cc(ccc1F)Br 62a_100011217312_100000729493 [0,2,0,0,0,0|2,0,0]=4 20726 B14R1.218 FCCCCSc1cc(ccc1F)Cl 62a_100000729493_100011218116 [0,2,0,0,0,0|2,0,0]=4 20727 B14R1.218 FCCCCSc1cc(ccc1F)Cl 62a_100011218116_100000729493 [0,2,0,0,0,0|2,0,0]=4 20728 B14R1.218 FCCCCSc1cc(ccc1F)F 62a_100000729493_100011219198 [0,2,0,0,0,0|2,0,0]=4 20729 B14R1.218 FCCCCSc1cc(ccc1F)F 62a_100011219198_100000729493 [0,2,0,0,0,0|2,0,0]=4 20730 B14R1.218 FCCCNCc1cc(ccc1Br)Br 207a_100015189416_100011266429 [0,2,0,0,0,0|2,0,0]=4 20731 B14R1.218 FCCCNCc1cc(ccc1Br)Br 2230a_100015189416_100011982794 [0,2,0,0,0,0|2,0,0]=4 20732 B14R1.218 FCCCNCc1cc(ccc1Br)Br 270004a_100015189416_100011266429 [0,2,0,0,0,0|2,0,0]=4 20733 B14R1.218 FCCCNCc1cc(ccc1Br)Br 34a_100000707832_100011934791 [0,2,0,0,0,0|2,0,0]=4 20734 B14R1.218 FCCCNCc1cc(ccc1Br)Br 34a_100015189416_100011982794 [0,2,0,0,0,0|2,0,0]=4 20735 B14R1.218 FCCCNCc1cc(ccc1Br)Cl 207a_100015189416_100000746314 [0,2,0,0,0,0|2,0,0]=4 20736 B14R1.218 FCCCNCc1cc(ccc1Br)Cl 2230a_100015189416_100000733903 [0,2,0,0,0,0|2,0,0]=4 20737 B14R1.218 FCCCNCc1cc(ccc1Br)Cl 270004a_100015189416_100000746314 [0,2,0,0,0,0|2,0,0]=4 20738 B14R1.218 FCCCNCc1cc(ccc1Br)Cl 34a_100015189416_100000733903 [0,2,0,0,0,0|2,0,0]=4 20739 B14R1.218 FCCCNCc1cc(ccc1Br)F 207a_100015189416_100000766564 [0,2,0,0,0,0|2,0,0]=4 20740 B14R1.218 FCCCNCc1cc(ccc1Br)F 2230a_100000742738_100011934791 [0,2,0,0,0,0|2,0,0]=4 20741 B14R1.218 FCCCNCc1cc(ccc1Br)F 2230a_100015189416_100000736370 [0,2,0,0,0,0|2,0,0]=4 20742 B14R1.218 FCCCNCc1cc(ccc1Br)F 270004a_100015189416_100000766564 [0,2,0,0,0,0|2,0,0]=4 20743 B14R1.218 FCCCNCc1cc(ccc1Br)F 34a_100000742738_100011934791 [0,2,0,0,0,0|2,0,0]=4 20744 B14R1.218 FCCCNCc1cc(ccc1Br)F 34a_100015189416_100000736370 [0,2,0,0,0,0|2,0,0]=4 20745 B14R1.218 FCCCNCc1cc(ccc1Br)I 207a_100015189416_100010185652 [0,2,0,0,0,0|2,0,0]=4 20746 B14R1.218 FCCCNCc1cc(ccc1Br)I 2230a_100015189416_100012355412 [0,2,0,0,0,0|2,0,0]=4 20747 B14R1.218 FCCCNCc1cc(ccc1Br)I 34a_100015189416_100012355412 [0,2,0,0,0,0|2,0,0]=4 20748 B14R1.218 FCCCNCc1cc(ccc1Cl)Br 207a_100015189416_100000746309 [0,2,0,0,0,0|2,0,0]=4 20749 B14R1.218 FCCCNCc1cc(ccc1Cl)Br 2230a_100015189416_100000763347 [0,2,0,0,0,0|2,0,0]=4 20750 B14R1.218 FCCCNCc1cc(ccc1Cl)Br 270004a_100015189416_100000746309 [0,2,0,0,0,0|2,0,0]=4 20751 B14R1.218 FCCCNCc1cc(ccc1Cl)Br 34a_100015189416_100000763347 [0,2,0,0,0,0|2,0,0]=4 20752 B14R1.218 FCCCNCc1cc(ccc1Cl)Br 34a_100025772652_100011934791 [0,2,0,0,0,0|2,0,0]=4 20753 B14R1.218 FCCCNCc1cc(ccc1Cl)Cl 207a_100015189416_100000746308 [0,2,0,0,0,0|2,0,0]=4 20754 B14R1.218 FCCCNCc1cc(ccc1Cl)Cl 2230a_100015189416_100000756322 [0,2,0,0,0,0|2,0,0]=4 20755 B14R1.218 FCCCNCc1cc(ccc1Cl)Cl 270004a_100015189416_100000746308 [0,2,0,0,0,0|2,0,0]=4 20756 B14R1.218 FCCCNCc1cc(ccc1Cl)Cl 34a_100015189416_100000756322 [0,2,0,0,0,0|2,0,0]=4 20757 B14R1.218 FCCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100011934791 [0,2,0,0,0,0|2,0,0]=4 20758 B14R1.218 FCCCNCc1cc(ccc1Cl)F 207a_100015189416_100011218309 [0,2,0,0,0,0|2,0,0]=4 20759 B14R1.218 FCCCNCc1cc(ccc1Cl)F 2230a_100011830483_100011934791 [0,2,0,0,0,0|2,0,0]=4 20760 B14R1.218 FCCCNCc1cc(ccc1Cl)F 2230a_100015189416_100000709952 [0,2,0,0,0,0|2,0,0]=4 20761 B14R1.218 FCCCNCc1cc(ccc1Cl)F 270004a_100015189416_100011218309 [0,2,0,0,0,0|2,0,0]=4 20762 B14R1.218 FCCCNCc1cc(ccc1Cl)F 34a_100011830483_100011934791 [0,2,0,0,0,0|2,0,0]=4 20763 B14R1.218 FCCCNCc1cc(ccc1Cl)F 34a_100015189416_100000709952 [0,2,0,0,0,0|2,0,0]=4 20764 B14R1.218 FCCCNCc1cc(ccc1Cl)I 207a_100015189416_100010254384 [0,2,0,0,0,0|2,0,0]=4 20765 B14R1.218 FCCCNCc1cc(ccc1Cl)I 2230a_100015189416_100010188191 [0,2,0,0,0,0|2,0,0]=4 20766 B14R1.218 FCCCNCc1cc(ccc1Cl)I 34a_100015189416_100010188191 [0,2,0,0,0,0|2,0,0]=4 20767 B14R1.218 FCCCNCc1cc(ccc1F)Br 207a_100015189416_100000211465 [0,2,0,0,0,0|2,0,0]=4 20768 B14R1.218 FCCCNCc1cc(ccc1F)Br 2230a_100015189416_100000736399 [0,2,0,0,0,0|2,0,0]=4 20769 B14R1.218 FCCCNCc1cc(ccc1F)Br 270004a_100015189416_100000211465 [0,2,0,0,0,0|2,0,0]=4 20770 B14R1.218 FCCCNCc1cc(ccc1F)Br 34a_100009815772_100011934791 [0,2,0,0,0,0|2,0,0]=4 20771 B14R1.218 FCCCNCc1cc(ccc1F)Br 34a_100015189416_100000736399 [0,2,0,0,0,0|2,0,0]=4 20772 B14R1.218 FCCCNCc1cc(ccc1F)Cl 207a_100015189416_100000745245 [0,2,0,0,0,0|2,0,0]=4 20773 B14R1.218 FCCCNCc1cc(ccc1F)Cl 2230a_100015189416_100000716957 [0,2,0,0,0,0|2,0,0]=4 20774 B14R1.218 FCCCNCc1cc(ccc1F)Cl 270004a_100015189416_100000745245 [0,2,0,0,0,0|2,0,0]=4 20775 B14R1.218 FCCCNCc1cc(ccc1F)Cl 34a_100011211646_100011934791 [0,2,0,0,0,0|2,0,0]=4 20776 B14R1.218 FCCCNCc1cc(ccc1F)Cl 34a_100015189416_100000716957 [0,2,0,0,0,0|2,0,0]=4 20777 B14R1.218 FCCCNCc1cc(ccc1F)F 207a_100015189416_100000740046 [0,2,0,0,0,0|2,0,0]=4 20778 B14R1.218 FCCCNCc1cc(ccc1F)F 2230a_100015189416_100000741279 [0,2,0,0,0,0|2,0,0]=4 20779 B14R1.218 FCCCNCc1cc(ccc1F)F 270004a_100015189416_100000740046 [0,2,0,0,0,0|2,0,0]=4 20780 B14R1.218 FCCCNCc1cc(ccc1F)F 34a_100000752317_100011934791 [0,2,0,0,0,0|2,0,0]=4 20781 B14R1.218 FCCCNCc1cc(ccc1F)F 34a_100015189416_100000741279 [0,2,0,0,0,0|2,0,0]=4 20782 B14R1.218 FCCCNCc1cc(ccc1F)I 207a_100015189416_100000050626 [0,2,0,0,0,0|2,0,0]=4 20783 B14R1.218 FCCCNCc1cc(ccc1F)I 2230a_100015189416_200010149601 [0,2,0,0,0,0|2,0,0]=4 20784 B14R1.218 FCCCNCc1cc(ccc1F)I 34a_100015189416_200010149601 [0,2,0,0,0,0|2,0,0]=4 20785 B14R1.218 FCCCNCc1cc(ccc1I)Br 207a_100015189416_100010185651 [0,2,0,0,0,0|2,0,0]=4 20786 B14R1.218 FCCCNCc1cc(ccc1I)Br 2230a_100015189416_100012362523 [0,2,0,0,0,0|2,0,0]=4 20787 B14R1.218 FCCCNCc1cc(ccc1I)Br 270004a_100015189416_100010185651 [0,2,0,0,0,0|2,0,0]=4 20788 B14R1.218 FCCCNCc1cc(ccc1I)Br 34a_100015189416_100012362523 [0,2,0,0,0,0|2,0,0]=4 20789 B14R1.218 FCCCNCc1cc(ccc1I)Cl 207a_100015189416_100010254386 [0,2,0,0,0,0|2,0,0]=4 20790 B14R1.218 FCCCNCc1cc(ccc1I)Cl 2230a_100015189416_100012348826 [0,2,0,0,0,0|2,0,0]=4 20791 B14R1.218 FCCCNCc1cc(ccc1I)Cl 270004a_100015189416_100010254386 [0,2,0,0,0,0|2,0,0]=4 20792 B14R1.218 FCCCNCc1cc(ccc1I)Cl 34a_100015189416_100012348826 [0,2,0,0,0,0|2,0,0]=4 20793 B14R1.218 FCCCNCc1cc(ccc1I)F 207a_100015189416_100010186294 [0,2,0,0,0,0|2,0,0]=4 20794 B14R1.218 FCCCNCc1cc(ccc1I)F 2230a_100015189416_100010149606 [0,2,0,0,0,0|2,0,0]=4 20795 B14R1.218 FCCCNCc1cc(ccc1I)F 270004a_100015189416_100010186294 [0,2,0,0,0,0|2,0,0]=4 20796 B14R1.218 FCCCNCc1cc(ccc1I)F 34a_100015189416_100010149606 [0,2,0,0,0,0|2,0,0]=4 20797 B14R1.218 FCCCOCc1cc(ccc1Br)Br 34a_100000759539_100011982794 [0,2,0,0,0,0|2,0,0]=4 20798 B14R1.218 FCCCOCc1cc(ccc1Br)Br 34a_100011266457_100011934791 [0,2,0,0,0,0|2,0,0]=4 20799 B14R1.218 FCCCOCc1cc(ccc1Br)Br 7a_100011266457_100011934791 [0,2,0,0,0,0|2,0,0]=4 20800 B14R1.218 FCCCOCc1cc(ccc1Br)Cl 34a_100000759539_100000733903 [0,2,0,0,0,0|2,0,0]=4 20801 B14R1.218 FCCCOCc1cc(ccc1Br)Cl 34a_100012355668_100011934791 [0,2,0,0,0,0|2,0,0]=4 20802 B14R1.218 FCCCOCc1cc(ccc1Br)Cl 7a_100012355668_100011934791 [0,2,0,0,0,0|2,0,0]=4 20803 B14R1.218 FCCCOCc1cc(ccc1Br)F 34a_100000759539_100000736370 [0,2,0,0,0,0|2,0,0]=4 20804 B14R1.218 FCCCOCc1cc(ccc1Br)F 34a_100011217561_100011934791 [0,2,0,0,0,0|2,0,0]=4 20805 B14R1.218 FCCCOCc1cc(ccc1Br)F 7a_100011217561_100011934791 [0,2,0,0,0,0|2,0,0]=4 20806 B14R1.218 FCCCOCc1cc(ccc1Br)I 34a_100000759539_100012355412 [0,2,0,0,0,0|2,0,0]=4 20807 B14R1.218 FCCCOCc1cc(ccc1Br)I 7a_100012359683_100011934791 [0,2,0,0,0,0|2,0,0]=4 20808 B14R1.218 FCCCOCc1cc(ccc1Cl)Br 34a_100000759539_100000763347 [0,2,0,0,0,0|2,0,0]=4 20809 B14R1.218 FCCCOCc1cc(ccc1Cl)Br 34a_100011215897_100011934791 [0,2,0,0,0,0|2,0,0]=4 20810 B14R1.218 FCCCOCc1cc(ccc1Cl)Br 7a_100011215897_100011934791 [0,2,0,0,0,0|2,0,0]=4 20811 B14R1.218 FCCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100011934791 [0,2,0,0,0,0|2,0,0]=4 20812 B14R1.218 FCCCOCc1cc(ccc1Cl)Cl 34a_100000759539_100000756322 [0,2,0,0,0,0|2,0,0]=4 20813 B14R1.218 FCCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100011934791 [0,2,0,0,0,0|2,0,0]=4 20814 B14R1.218 FCCCOCc1cc(ccc1Cl)F 34a_100000759539_100000709952 [0,2,0,0,0,0|2,0,0]=4 20815 B14R1.218 FCCCOCc1cc(ccc1Cl)F 34a_100011218361_100011934791 [0,2,0,0,0,0|2,0,0]=4 20816 B14R1.218 FCCCOCc1cc(ccc1Cl)F 7a_100011218361_100011934791 [0,2,0,0,0,0|2,0,0]=4 20817 B14R1.218 FCCCOCc1cc(ccc1Cl)I 34a_100000759539_100010188191 [0,2,0,0,0,0|2,0,0]=4 20818 B14R1.218 FCCCOCc1cc(ccc1Cl)I 34a_100010128486_100011934791 [0,2,0,0,0,0|2,0,0]=4 20819 B14R1.218 FCCCOCc1cc(ccc1Cl)I 7a_100010128486_100011934791 [0,2,0,0,0,0|2,0,0]=4 20820 B14R1.218 FCCCOCc1cc(ccc1F)Br 34a_100000246282_100011934791 [0,2,0,0,0,0|2,0,0]=4 20821 B14R1.218 FCCCOCc1cc(ccc1F)Br 34a_100000759539_100000736399 [0,2,0,0,0,0|2,0,0]=4 20822 B14R1.218 FCCCOCc1cc(ccc1F)Br 7a_100000246282_100011934791 [0,2,0,0,0,0|2,0,0]=4 20823 B14R1.218 FCCCOCc1cc(ccc1F)Cl 34a_100000759539_100000716957 [0,2,0,0,0,0|2,0,0]=4 20824 B14R1.218 FCCCOCc1cc(ccc1F)Cl 34a_100011217248_100011934791 [0,2,0,0,0,0|2,0,0]=4 20825 B14R1.218 FCCCOCc1cc(ccc1F)Cl 7a_100011217248_100011934791 [0,2,0,0,0,0|2,0,0]=4 20826 B14R1.218 FCCCOCc1cc(ccc1F)F 34a_100000759539_100000741279 [0,2,0,0,0,0|2,0,0]=4 20827 B14R1.218 FCCCOCc1cc(ccc1F)F 34a_100011217725_100011934791 [0,2,0,0,0,0|2,0,0]=4 20828 B14R1.218 FCCCOCc1cc(ccc1F)F 7a_100011217725_100011934791 [0,2,0,0,0,0|2,0,0]=4 20829 B14R1.218 FCCCOCc1cc(ccc1F)I 34a_100000049604_100011934791 [0,2,0,0,0,0|2,0,0]=4 20830 B14R1.218 FCCCOCc1cc(ccc1F)I 34a_100000759539_200010149601 [0,2,0,0,0,0|2,0,0]=4 20831 B14R1.218 FCCCOCc1cc(ccc1F)I 7a_100000049604_100011934791 [0,2,0,0,0,0|2,0,0]=4 20832 B14R1.218 FCCCOCc1cc(ccc1I)Br 34a_100000759539_100012362523 [0,2,0,0,0,0|2,0,0]=4 20833 B14R1.218 FCCCOCc1cc(ccc1I)Br 34a_100011356890_100011934791 [0,2,0,0,0,0|2,0,0]=4 20834 B14R1.218 FCCCOCc1cc(ccc1I)Br 7a_100011356890_100011934791 [0,2,0,0,0,0|2,0,0]=4 20835 B14R1.218 FCCCOCc1cc(ccc1I)Cl 34a_100000759539_100012348826 [0,2,0,0,0,0|2,0,0]=4 20836 B14R1.218 FCCCOCc1cc(ccc1I)F 34a_100000759539_100010149606 [0,2,0,0,0,0|2,0,0]=4 20837 B14R1.218 FCCCOCc1cc(ccc1I)F 34a_100010255287_100011934791 [0,2,0,0,0,0|2,0,0]=4 20838 B14R1.218 FCCCOCc1cc(ccc1I)F 7a_100010255287_100011934791 [0,2,0,0,0,0|2,0,0]=4 20839 B14R1.218 FCCCSCc1cc(ccc1Br)Br 62a_100011934791_100011982794 [0,2,0,0,0,0|2,0,0]=4 20840 B14R1.218 FCCCSCc1cc(ccc1Br)Br 62a_100011982794_100011934791 [0,2,0,0,0,0|2,0,0]=4 20841 B14R1.218 FCCCSCc1cc(ccc1Br)Cl 62a_100000733903_100011934791 [0,2,0,0,0,0|2,0,0]=4 20842 B14R1.218 FCCCSCc1cc(ccc1Br)Cl 62a_100011934791_100000733903 [0,2,0,0,0,0|2,0,0]=4 20843 B14R1.218 FCCCSCc1cc(ccc1Br)F 62a_100000736370_100011934791 [0,2,0,0,0,0|2,0,0]=4 20844 B14R1.218 FCCCSCc1cc(ccc1Br)F 62a_100011934791_100000736370 [0,2,0,0,0,0|2,0,0]=4 20845 B14R1.218 FCCCSCc1cc(ccc1Br)I 62a_100011934791_100012355412 [0,2,0,0,0,0|2,0,0]=4 20846 B14R1.218 FCCCSCc1cc(ccc1Br)I 62a_100012355412_100011934791 [0,2,0,0,0,0|2,0,0]=4 20847 B14R1.218 FCCCSCc1cc(ccc1Cl)Br 62a_100000763347_100011934791 [0,2,0,0,0,0|2,0,0]=4 20848 B14R1.218 FCCCSCc1cc(ccc1Cl)Br 62a_100011934791_100000763347 [0,2,0,0,0,0|2,0,0]=4 20849 B14R1.218 FCCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100011934791 [0,2,0,0,0,0|2,0,0]=4 20850 B14R1.218 FCCCSCc1cc(ccc1Cl)Cl 62a_100011934791_100000756322 [0,2,0,0,0,0|2,0,0]=4 20851 B14R1.218 FCCCSCc1cc(ccc1Cl)F 62a_100000709952_100011934791 [0,2,0,0,0,0|2,0,0]=4 20852 B14R1.218 FCCCSCc1cc(ccc1Cl)F 62a_100011934791_100000709952 [0,2,0,0,0,0|2,0,0]=4 20853 B14R1.218 FCCCSCc1cc(ccc1Cl)I 62a_100010188191_100011934791 [0,2,0,0,0,0|2,0,0]=4 20854 B14R1.218 FCCCSCc1cc(ccc1Cl)I 62a_100011934791_100010188191 [0,2,0,0,0,0|2,0,0]=4 20855 B14R1.218 FCCCSCc1cc(ccc1F)Br 62a_100000736399_100011934791 [0,2,0,0,0,0|2,0,0]=4 20856 B14R1.218 FCCCSCc1cc(ccc1F)Br 62a_100011934791_100000736399 [0,2,0,0,0,0|2,0,0]=4 20857 B14R1.218 FCCCSCc1cc(ccc1F)Cl 62a_100000716957_100011934791 [0,2,0,0,0,0|2,0,0]=4 20858 B14R1.218 FCCCSCc1cc(ccc1F)Cl 62a_100011934791_100000716957 [0,2,0,0,0,0|2,0,0]=4 20859 B14R1.218 FCCCSCc1cc(ccc1F)F 62a_100000685659_100011934791 [0,2,0,0,0,0|2,0,0]=4 20860 B14R1.218 FCCCSCc1cc(ccc1F)F 62a_100011934791_100000685659 [0,2,0,0,0,0|2,0,0]=4 20861 B14R1.218 FCCCSCc1cc(ccc1F)I 62a_100011934791_200010149601 [0,2,0,0,0,0|2,0,0]=4 20862 B14R1.218 FCCCSCc1cc(ccc1F)I 62a_200010149601_100011934791 [0,2,0,0,0,0|2,0,0]=4 20863 B14R1.218 FCCCSCc1cc(ccc1I)Br 62a_100011934791_100012362523 [0,2,0,0,0,0|2,0,0]=4 20864 B14R1.218 FCCCSCc1cc(ccc1I)Br 62a_100012362523_100011934791 [0,2,0,0,0,0|2,0,0]=4 20865 B14R1.218 FCCCSCc1cc(ccc1I)Cl 62a_100011934791_100012348826 [0,2,0,0,0,0|2,0,0]=4 20866 B14R1.218 FCCCSCc1cc(ccc1I)Cl 62a_100012348826_100011934791 [0,2,0,0,0,0|2,0,0]=4 20867 B14R1.218 FCCCSCc1cc(ccc1I)F 62a_100010149606_100011934791 [0,2,0,0,0,0|2,0,0]=4 20868 B14R1.218 FCCCSCc1cc(ccc1I)F 62a_100011934791_100010149606 [0,2,0,0,0,0|2,0,0]=4 20869 B14R1.218 FCCNCCc1cc(ccc1Cl)Cl 2230a_100000705354_100011217306 [0,2,0,0,0,0|2,0,0]=4 20870 B14R1.218 FCCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100011217306 [0,2,0,0,0,0|2,0,0]=4 20871 B14R1.218 FCCNCCc1cc(ccc1F)Cl 2230a_200011997525_100011217306 [0,2,0,0,0,0|2,0,0]=4 20872 B14R1.218 FCCNCCc1cc(ccc1F)Cl 34a_200011997525_100011217306 [0,2,0,0,0,0|2,0,0]=4 20873 B14R1.218 FCCNCCc1cc(ccc1F)F 34a_100000724931_100011755056 [0,2,0,0,0,0|2,0,0]=4 20874 B14R1.218 FCCOCCc1cc(ccc1Br)Cl 34a_100012426913_100011217306 [0,2,0,0,0,0|2,0,0]=4 20875 B14R1.218 FCCOCCc1cc(ccc1Br)Cl 7a_100012426913_100011217306 [0,2,0,0,0,0|2,0,0]=4 20876 B14R1.218 FCCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100011217306 [0,2,0,0,0,0|2,0,0]=4 20877 B14R1.218 FCCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100011217306 [0,2,0,0,0,0|2,0,0]=4 20878 B14R1.218 FCCOCCc1cc(ccc1F)F 34a_100011755048_100011217306 [0,2,0,0,0,0|2,0,0]=4 20879 B14R1.218 FCCOCCc1cc(ccc1F)F 7a_100011755048_100011217306 [0,2,0,0,0,0|2,0,0]=4 20880 B14R1.218 FCCSCCc1cc(ccc1F)F 62a_100011217306_100011755056 [0,2,0,0,0,0|2,0,0]=4 20881 B14R1.218 FCCSCCc1cc(ccc1F)F 62a_100011755056_100011217306 [0,2,0,0,0,0|2,0,0]=4 20882 B14R1.218 Fc1ccc(c(c1)CCOCCBr)F 34a_100000211926_100011755056 [0,2,0,0,0,0|2,0,0]=4 20883 B14R1.218 Fc1ccc(c(c1)COCCCBr)Br 34a_100011217188_100000736370 [0,2,0,0,0,0|2,0,0]=4 20884 B14R1.218 Fc1ccc(c(c1)COCCCBr)Cl 34a_100011217188_100000709952 [0,2,0,0,0,0|2,0,0]=4 20885 B14R1.218 Fc1ccc(c(c1)COCCCBr)F 34a_100011217188_100000741279 [0,2,0,0,0,0|2,0,0]=4 20886 B14R1.218 Fc1ccc(c(c1)COCCCBr)I 34a_100011217188_100010149606 [0,2,0,0,0,0|2,0,0]=4 20887 B14R1.218 Fc1ccc(c(c1)COCCCCl)Br 34a_100000230001_100000736370 [0,2,0,0,0,0|2,0,0]=4 20888 B14R1.218 Fc1ccc(c(c1)COCCCCl)Cl 34a_100000230001_100000709952 [0,2,0,0,0,0|2,0,0]=4 20889 B14R1.218 Fc1ccc(c(c1)COCCCCl)F 34a_100000230001_100000741279 [0,2,0,0,0,0|2,0,0]=4 20890 B14R1.218 Fc1ccc(c(c1)COCCCCl)I 34a_100000230001_100010149606 [0,2,0,0,0,0|2,0,0]=4 20891 B14R1.218 Fc1ccc(cc1COCCCBr)Br 34a_100011217188_100000736399 [0,2,0,0,0,0|2,0,0]=4 20892 B14R1.218 Fc1ccc(cc1COCCCBr)Cl 34a_100011217188_100000716957 [0,2,0,0,0,0|2,0,0]=4 20893 B14R1.218 Fc1ccc(cc1COCCCBr)I 34a_100011217188_200010149601 [0,2,0,0,0,0|2,0,0]=4 20894 B14R1.218 Fc1ccc(cc1COCCCCl)Br 34a_100000230001_100000736399 [0,2,0,0,0,0|2,0,0]=4 20895 B14R1.218 Fc1ccc(cc1COCCCCl)Cl 34a_100000230001_100000716957 [0,2,0,0,0,0|2,0,0]=4 20896 B14R1.218 Fc1ccc(cc1COCCCCl)I 34a_100000230001_200010149601 [0,2,0,0,0,0|2,0,0]=4 20897 B14R1.218 NCCCOCc1cc(ccc1Br)Br 34a_100000182051_100011982794 [0,2,0,0,0,0|2,0,0]=4 20898 B14R1.218 NCCCOCc1cc(ccc1Br)Cl 34a_100000182051_100000733903 [0,2,0,0,0,0|2,0,0]=4 20899 B14R1.218 NCCCOCc1cc(ccc1Br)F 34a_100000182051_100000736370 [0,2,0,0,0,0|2,0,0]=4 20900 B14R1.218 NCCCOCc1cc(ccc1Br)I 34a_100000182051_100012355412 [0,2,0,0,0,0|2,0,0]=4 20901 B14R1.218 NCCCOCc1cc(ccc1Cl)Br 34a_100000182051_100000763347 [0,2,0,0,0,0|2,0,0]=4 20902 B14R1.218 NCCCOCc1cc(ccc1Cl)Cl 34a_100000182051_100000756322 [0,2,0,0,0,0|2,0,0]=4 20903 B14R1.218 NCCCOCc1cc(ccc1Cl)F 34a_100000182051_100000709952 [0,2,0,0,0,0|2,0,0]=4 20904 B14R1.218 NCCCOCc1cc(ccc1Cl)I 34a_100000182051_100010188191 [0,2,0,0,0,0|2,0,0]=4 20905 B14R1.218 NCCCOCc1cc(ccc1F)Br 34a_100000182051_100000736399 [0,2,0,0,0,0|2,0,0]=4 20906 B14R1.218 NCCCOCc1cc(ccc1F)Cl 34a_100000182051_100000716957 [0,2,0,0,0,0|2,0,0]=4 20907 B14R1.218 NCCCOCc1cc(ccc1F)F 34a_100000182051_100000741279 [0,2,0,0,0,0|2,0,0]=4 20908 B14R1.218 NCCCOCc1cc(ccc1F)I 34a_100000182051_200010149601 [0,2,0,0,0,0|2,0,0]=4 20909 B14R1.218 NCCCOCc1cc(ccc1I)Br 34a_100000182051_100012362523 [0,2,0,0,0,0|2,0,0]=4 20910 B14R1.218 NCCCOCc1cc(ccc1I)Cl 34a_100000182051_100012348826 [0,2,0,0,0,0|2,0,0]=4 20911 B14R1.218 NCCCOCc1cc(ccc1I)F 34a_100000182051_100010149606 [0,2,0,0,0,0|2,0,0]=4 20912 B14R1.218 NCCCOCc1cc(ccc1O)F 34a_100000182051_100010161318 [0,2,0,0,0,0|2,0,0]=4 20913 B14R1.218 NCCOCCc1cc(ccc1F)F 34a_100000210304_100011755056 [0,2,0,0,0,0|2,0,0]=4 20914 B14R1.218 Nc1cc(c(cn1)Cl)SCCCCO 62a_100000210776_100010134119 [0,2,0,0,0,0|2,0,0]=4 20915 B14R1.218 Nc1cc(c(cn1)Cl)SCCCCO 62a_100010134119_100000210776 [0,2,0,0,0,0|2,0,0]=4 20916 B14R1.218 Nc1cc(c(cn1)F)SCCCCO 62a_100000210776_100015713587 [0,2,0,0,0,0|2,0,0]=4 20917 B14R1.218 Nc1cc(c(cn1)F)SCCCCO 62a_100015713587_100000210776 [0,2,0,0,0,0|2,0,0]=4 20918 B14R1.218 Nc1ccc(c(c1)COCCCF)Br 34a_100012347228_100011934791 [0,2,0,0,0,0|2,0,0]=4 20919 B14R1.218 Nc1ccc(c(c1)COCCCF)Cl 34a_100011273577_100011934791 [0,2,0,0,0,0|2,0,0]=4 20920 B14R1.218 Nc1ccc(c(c1)COCCCF)F 34a_100011218011_100011934791 [0,2,0,0,0,0|2,0,0]=4 20921 B14R1.218 Nc1ccc(c(c1)COCCCO)Br 34a_100012347228_100000230001 [0,2,0,0,0,0|1,0,0]=3 20922 B14R1.218 Nc1ccc(c(c1)COCCCO)Cl 34a_100011273577_100000230001 [0,2,0,0,0,0|1,0,0]=3 20923 B14R1.218 Nc1ccc(c(c1)COCCCO)F 34a_100011218011_100000230001 [0,2,0,0,0,0|1,0,0]=3 20924 B14R1.218 Nc1ccc(c(c1)OCCCCF)Cl 34a_100011934209_100000729493 [0,2,0,0,0,0|2,0,0]=4 20925 B14R1.218 Nc1ccc(c(c1)OCCCCF)F 34a_100012017398_100000729493 [0,2,0,0,0,0|2,0,0]=4 20926 B14R1.218 Nc1ccc(c(c1)OCCCCF)F 7a_100012017398_100000729493 [0,2,0,0,0,0|2,0,0]=4 20927 B14R1.218 Nc1ccc(c(c1)OCCCCF)N 34a_100025717382_100000729493 [0,2,0,0,0,0|2,0,0]=4 20928 B14R1.218 Nc1ccc(c(c1)OCCCCO)Cl 34a_100011934209_100011216708 [0,2,0,0,0,0|1,0,0]=3 20929 B14R1.218 Nc1ccc(c(c1)OCCCCO)F 34a_100012017398_100011216708 [0,2,0,0,0,0|1,0,0]=3 20930 B14R1.218 Nc1ccc(c(c1)OCCCCO)F 7a_100012017398_100000210776 [0,2,0,0,0,0|1,0,0]=3 20931 B14R1.218 Nc1ccc(c(c1)OCCCCO)N 34a_100025717382_100011216708 [0,2,0,0,0,0|1,0,0]=3 20932 B14R1.218 Nc1ccc(c(c1)SCCCCF)Br 62a_100000729493_100000750459 [0,2,0,0,0,0|2,0,0]=4 20933 B14R1.218 Nc1ccc(c(c1)SCCCCF)Br 62a_100000750459_100000729493 [0,2,0,0,0,0|2,0,0]=4 20934 B14R1.218 Nc1ccc(c(c1)SCCCCF)Cl 62a_100000729493_100012360549 [0,2,0,0,0,0|2,0,0]=4 20935 B14R1.218 Nc1ccc(c(c1)SCCCCF)Cl 62a_100012360549_100000729493 [0,2,0,0,0,0|2,0,0]=4 20936 B14R1.218 Nc1ccc(c(c1)SCCCCF)F 62a_100000729493_100000760356 [0,2,0,0,0,0|2,0,0]=4 20937 B14R1.218 Nc1ccc(c(c1)SCCCCF)F 62a_100000760356_100000729493 [0,2,0,0,0,0|2,0,0]=4 20938 B14R1.218 Nc1ccc(c(c1)SCCCCF)N 62a_100000729493_100011534242 [0,2,0,0,0,0|2,0,0]=4 20939 B14R1.218 Nc1ccc(c(c1)SCCCCF)N 62a_100011534242_100000729493 [0,2,0,0,0,0|2,0,0]=4 20940 B14R1.218 Nc1ccc(c(c1)SCCCCF)O 62a_100000729493_100011534360 [0,2,0,0,0,0|2,0,0]=4 20941 B14R1.218 Nc1ccc(c(c1)SCCCCF)O 62a_100011534360_100000729493 [0,2,0,0,0,0|2,0,0]=4 20942 B14R1.218 Nc1ccc(c(c1)SCCCCO)Br 62a_100000210776_100000750459 [0,2,0,0,0,0|1,0,0]=3 20943 B14R1.218 Nc1ccc(c(c1)SCCCCO)Br 62a_100000750459_100000210776 [0,2,0,0,0,0|1,0,0]=3 20944 B14R1.218 Nc1ccc(c(c1)SCCCCO)Cl 62a_100000210776_100012360549 [0,2,0,0,0,0|1,0,0]=3 20945 B14R1.218 Nc1ccc(c(c1)SCCCCO)Cl 62a_100012360549_100000210776 [0,2,0,0,0,0|1,0,0]=3 20946 B14R1.218 Nc1ccc(c(c1)SCCCCO)F 62a_100000210776_100000760356 [0,2,0,0,0,0|1,0,0]=3 20947 B14R1.218 Nc1ccc(c(c1)SCCCCO)F 62a_100000760356_100000210776 [0,2,0,0,0,0|1,0,0]=3 20948 B14R1.218 Nc1ccc(c(c1)SCCCCO)N 62a_100000210776_100011534242 [0,2,0,0,0,0|1,0,0]=3 20949 B14R1.218 Nc1ccc(c(c1)SCCCCO)N 62a_100011534242_100000210776 [0,2,0,0,0,0|1,0,0]=3 20950 B14R1.218 Nc1ccc(c(c1)SCCCCO)O 62a_100000210776_100011534360 [0,2,0,0,0,0|1,0,0]=3 20951 B14R1.218 Nc1ccc(c(c1)SCCCCO)O 62a_100011534360_100000210776 [0,2,0,0,0,0|1,0,0]=3 20952 B14R1.218 Nc1ccc(c(n1)SCCCCO)Br 62a_100000210776_100010192275 [0,2,0,0,0,0|2,0,0]=4 20953 B14R1.218 Nc1ccc(c(n1)SCCCCO)Br 62a_100010192275_100000210776 [0,2,0,0,0,0|2,0,0]=4 20954 B14R1.218 Nc1ccc(c(n1)SCCCCO)F 62a_100000210776_100010892222 [0,2,0,0,0,0|2,0,0]=4 20955 B14R1.218 Nc1ccc(c(n1)SCCCCO)F 62a_100010892222_100000210776 [0,2,0,0,0,0|2,0,0]=4 20956 B14R1.218 Nc1ccc(c(n1)SCCCCO)N 62a_100000210776_200009884323 [0,2,0,0,0,0|2,0,0]=4 20957 B14R1.218 Nc1ccc(c(n1)SCCCCO)N 62a_200009884323_100000210776 [0,2,0,0,0,0|2,0,0]=4 20958 B14R1.218 Nc1ccc(cc1COCCCF)Br 34a_100012353972_100011934791 [0,2,0,0,0,0|2,0,0]=4 20959 B14R1.218 Nc1ccc(cc1COCCCF)Br 7a_100012353972_100011934791 [0,2,0,0,0,0|2,0,0]=4 20960 B14R1.218 Nc1ccc(cc1COCCCF)Cl 34a_100011214999_100011934791 [0,2,0,0,0,0|2,0,0]=4 20961 B14R1.218 Nc1ccc(cc1COCCCF)Cl 7a_100011214999_100011934791 [0,2,0,0,0,0|2,0,0]=4 20962 B14R1.218 Nc1ccc(cc1COCCCF)F 34a_100011296978_100011934791 [0,2,0,0,0,0|2,0,0]=4 20963 B14R1.218 Nc1ccc(cc1COCCCF)F 7a_100011296978_100011934791 [0,2,0,0,0,0|2,0,0]=4 20964 B14R1.218 Nc1ccc(cc1COCCCO)Br 34a_100012353972_100000230001 [0,2,0,0,0,0|1,0,0]=3 20965 B14R1.218 Nc1ccc(cc1COCCCO)Br 7a_100012353972_100011215043 [0,2,0,0,0,0|1,0,0]=3 20966 B14R1.218 Nc1ccc(cc1COCCCO)Cl 34a_100011214999_100000230001 [0,2,0,0,0,0|1,0,0]=3 20967 B14R1.218 Nc1ccc(cc1COCCCO)Cl 7a_100011214999_100011215043 [0,2,0,0,0,0|1,0,0]=3 20968 B14R1.218 Nc1ccc(cc1COCCCO)F 34a_100011296978_100000230001 [0,2,0,0,0,0|1,0,0]=3 20969 B14R1.218 Nc1ccc(cc1COCCCO)F 7a_100011296978_100011215043 [0,2,0,0,0,0|1,0,0]=3 20970 B14R1.218 Nc1ccc(cc1OCCCCF)Br 34a_100000739049_100000729493 [0,2,0,0,0,0|2,0,0]=4 20971 B14R1.218 Nc1ccc(cc1OCCCCF)Br 7a_100000739049_100000729493 [0,2,0,0,0,0|2,0,0]=4 20972 B14R1.218 Nc1ccc(cc1OCCCCF)Cl 34a_100000185728_100000729493 [0,2,0,0,0,0|2,0,0]=4 20973 B14R1.218 Nc1ccc(cc1OCCCCF)Cl 7a_100000185728_100000729493 [0,2,0,0,0,0|2,0,0]=4 20974 B14R1.218 Nc1ccc(cc1OCCCCF)F 34a_100000753323_100000729493 [0,2,0,0,0,0|2,0,0]=4 20975 B14R1.218 Nc1ccc(cc1OCCCCF)F 7a_100000753323_100000729493 [0,2,0,0,0,0|2,0,0]=4 20976 B14R1.218 Nc1ccc(cc1OCCCCF)I 34a_100000057187_100000729493 [0,2,0,0,0,0|2,0,0]=4 20977 B14R1.218 Nc1ccc(cc1OCCCCF)I 7a_100000057187_100000729493 [0,2,0,0,0,0|2,0,0]=4 20978 B14R1.218 Nc1ccc(cc1OCCCCO)Br 34a_100000739049_100011216708 [0,2,0,0,0,0|1,0,0]=3 20979 B14R1.218 Nc1ccc(cc1OCCCCO)Br 7a_100000739049_100000210776 [0,2,0,0,0,0|1,0,0]=3 20980 B14R1.218 Nc1ccc(cc1OCCCCO)Cl 34a_100000185728_100011216708 [0,2,0,0,0,0|1,0,0]=3 20981 B14R1.218 Nc1ccc(cc1OCCCCO)Cl 7a_100000185728_100000210776 [0,2,0,0,0,0|1,0,0]=3 20982 B14R1.218 Nc1ccc(cc1OCCCCO)F 34a_100000753323_100011216708 [0,2,0,0,0,0|1,0,0]=3 20983 B14R1.218 Nc1ccc(cc1OCCCCO)F 7a_100000753323_100000210776 [0,2,0,0,0,0|1,0,0]=3 20984 B14R1.218 Nc1ccc(cc1OCCCCO)I 34a_100000057187_100011216708 [0,2,0,0,0,0|1,0,0]=3 20985 B14R1.218 Nc1ccc(cc1OCCCCO)I 7a_100000057187_100000210776 [0,2,0,0,0,0|1,0,0]=3 20986 B14R1.218 Nc1ccc(cc1SCCCCF)Br 62a_100000187925_100000729493 [0,2,0,0,0,0|2,0,0]=4 20987 B14R1.218 Nc1ccc(cc1SCCCCF)Br 62a_100000729493_100000187925 [0,2,0,0,0,0|2,0,0]=4 20988 B14R1.218 Nc1ccc(cc1SCCCCF)Cl 62a_100000729493_100000761889 [0,2,0,0,0,0|2,0,0]=4 20989 B14R1.218 Nc1ccc(cc1SCCCCF)Cl 62a_100000761889_100000729493 [0,2,0,0,0,0|2,0,0]=4 20990 B14R1.218 Nc1ccc(cc1SCCCCF)F 62a_100000729493_100000760547 [0,2,0,0,0,0|2,0,0]=4 20991 B14R1.218 Nc1ccc(cc1SCCCCF)F 62a_100000760547_100000729493 [0,2,0,0,0,0|2,0,0]=4 20992 B14R1.218 Nc1ccc(cc1SCCCCF)O 62a_100000729493_100012001276 [0,2,0,0,0,0|2,0,0]=4 20993 B14R1.218 Nc1ccc(cc1SCCCCF)O 62a_100012001276_100000729493 [0,2,0,0,0,0|2,0,0]=4 20994 B14R1.218 Nc1ccc(cc1SCCCCO)Br 62a_100000187925_100000210776 [0,2,0,0,0,0|1,0,0]=3 20995 B14R1.218 Nc1ccc(cc1SCCCCO)Br 62a_100000210776_100000187925 [0,2,0,0,0,0|1,0,0]=3 20996 B14R1.218 Nc1ccc(cc1SCCCCO)Cl 62a_100000210776_100000761889 [0,2,0,0,0,0|1,0,0]=3 20997 B14R1.218 Nc1ccc(cc1SCCCCO)Cl 62a_100000761889_100000210776 [0,2,0,0,0,0|1,0,0]=3 20998 B14R1.218 Nc1ccc(cc1SCCCCO)F 62a_100000210776_100000760547 [0,2,0,0,0,0|1,0,0]=3 20999 B14R1.218 Nc1ccc(cc1SCCCCO)F 62a_100000760547_100000210776 [0,2,0,0,0,0|1,0,0]=3 21000 B14R1.218 Nc1ccc(cc1SCCCCO)O 62a_100000210776_100012001276 [0,2,0,0,0,0|1,0,0]=3 21001 B14R1.218 Nc1ccc(cc1SCCCCO)O 62a_100012001276_100000210776 [0,2,0,0,0,0|1,0,0]=3 21002 B14R1.218 Nc1ccc(nc1NCCCCO)F 27a_100000750430_100009879877 [0,2,0,0,0,0|2,0,0]=4 21003 B14R1.218 Nc1ccc(nc1SCCCCO)Br 62a_100000210776_100010168765 [0,2,0,0,0,0|2,0,0]=4 21004 B14R1.218 Nc1ccc(nc1SCCCCO)Br 62a_100010168765_100000210776 [0,2,0,0,0,0|2,0,0]=4 21005 B14R1.218 Nc1ccc(nc1SCCCCO)Cl 62a_100000210776_100010233647 [0,2,0,0,0,0|2,0,0]=4 21006 B14R1.218 Nc1ccc(nc1SCCCCO)Cl 62a_100010233647_100000210776 [0,2,0,0,0,0|2,0,0]=4 21007 B14R1.218 Nc1ccc(nc1SCCCCO)F 62a_100000210776_100009879877 [0,2,0,0,0,0|2,0,0]=4 21008 B14R1.218 Nc1ccc(nc1SCCCCO)F 62a_100009879877_100000210776 [0,2,0,0,0,0|2,0,0]=4 21009 B14R1.218 Nc1cnc(c(c1)SCCCCO)Br 62a_100000210776_100010201102 [0,2,0,0,0,0|2,0,0]=4 21010 B14R1.218 Nc1cnc(c(c1)SCCCCO)Br 62a_100010201102_100000210776 [0,2,0,0,0,0|2,0,0]=4 21011 B14R1.218 Nc1cnc(c(c1)SCCCCO)Cl 62a_100000210776_100010253917 [0,2,0,0,0,0|2,0,0]=4 21012 B14R1.218 Nc1cnc(c(c1)SCCCCO)Cl 62a_100010253917_100000210776 [0,2,0,0,0,0|2,0,0]=4 21013 B14R1.218 Nc1cnc(c(c1)SCCCCO)F 62a_100000210776_100009840397 [0,2,0,0,0,0|2,0,0]=4 21014 B14R1.218 Nc1cnc(c(c1)SCCCCO)F 62a_100009840397_100000210776 [0,2,0,0,0,0|2,0,0]=4 21015 B14R1.218 Nc1cnc(c(c1)SCCCCO)N 62a_100000210776_200011934315 [0,2,0,0,0,0|2,0,0]=4 21016 B14R1.218 Nc1cnc(c(c1)SCCCCO)N 62a_200011934315_100000210776 [0,2,0,0,0,0|2,0,0]=4 21017 B14R1.218 Nc1cnc(cc1SCCCCO)Cl 62a_100000050123_100000210776 [0,2,0,0,0,0|2,0,0]=4 21018 B14R1.218 Nc1cnc(cc1SCCCCO)Cl 62a_100000210776_100000050123 [0,2,0,0,0,0|2,0,0]=4 21019 B14R1.218 Nc1ncc(cc1COCCCO)Br 34a_100011934449_100000230001 [0,2,0,0,0,0|2,0,0]=4 21020 B14R1.218 Nc1ncc(cc1COCCCO)Br 7a_100011934449_100011215043 [0,2,0,0,0,0|2,0,0]=4 21021 B14R1.218 Nc1ncc(cc1OCCCCO)Br 34a_100009819042_100011216708 [0,2,0,0,0,0|2,0,0]=4 21022 B14R1.218 Nc1ncc(cc1OCCCCO)Br 7a_100009819042_100000210776 [0,2,0,0,0,0|2,0,0]=4 21023 B14R1.218 Nc1ncc(cc1OCCCCO)Cl 34a_100000123674_100011216708 [0,2,0,0,0,0|2,0,0]=4 21024 B14R1.218 Nc1ncc(cc1OCCCCO)Cl 7a_100000123674_100000210776 [0,2,0,0,0,0|2,0,0]=4 21025 B14R1.218 Nc1ncc(cc1OCCCCO)F 34a_100000094369_100011216708 [0,2,0,0,0,0|2,0,0]=4 21026 B14R1.218 Nc1ncc(cc1OCCCCO)F 7a_100000094369_100000210776 [0,2,0,0,0,0|2,0,0]=4 21027 B14R1.218 Nc1ncc(cc1SCCCCO)Br 62a_100000210776_100000760472 [0,2,0,0,0,0|2,0,0]=4 21028 B14R1.218 Nc1ncc(cc1SCCCCO)Br 62a_100000760472_100000210776 [0,2,0,0,0,0|2,0,0]=4 21029 B14R1.218 Nc1ncc(cc1SCCCCO)Cl 62a_100000050159_100000210776 [0,2,0,0,0,0|2,0,0]=4 21030 B14R1.218 Nc1ncc(cc1SCCCCO)Cl 62a_100000210776_100000050159 [0,2,0,0,0,0|2,0,0]=4 21031 B14R1.218 Nc1ncc(cc1SCCCCO)F 62a_100000210776_100009814671 [0,2,0,0,0,0|2,0,0]=4 21032 B14R1.218 Nc1ncc(cc1SCCCCO)F 62a_100009814671_100000210776 [0,2,0,0,0,0|2,0,0]=4 21033 B14R1.218 O=c1[nH]cc(cc1CNCCCO)F 207a_100000182051_100000137007 [0,2,0,0,0,0|2,0,0]=4 21034 B14R1.218 O=c1[nH]cc(cc1CNCCCO)F 270004a_100000182051_100000137007 [0,2,0,0,0,0|2,0,0]=4 21035 B14R1.218 O=c1[nH]cc(cc1SCCCCO)F 62a_100000210776_100009817720 [0,2,0,0,0,0|2,0,0]=4 21036 B14R1.218 O=c1[nH]cc(cc1SCCCCO)F 62a_100009817720_100000210776 [0,2,0,0,0,0|2,0,0]=4 21037 B14R1.218 O=c1cc(c(c[nH]1)Cl)OCCCCO 34a_100000069390_100011216708 [0,2,0,0,0,0|2,0,0]=4 21038 B14R1.218 O=c1cc(c(c[nH]1)F)SCCCCO 62a_100000210776_100009817642 [0,2,0,0,0,0|2,0,0]=4 21039 B14R1.218 O=c1cc(c(c[nH]1)F)SCCCCO 62a_100009817642_100000210776 [0,2,0,0,0,0|2,0,0]=4 21040 B14R1.218 OCCCCNc1cc(ccc1Br)Br 34a_100000737762_100011216708 [0,2,0,0,0,0|1,0,0]=3 21041 B14R1.218 OCCCCNc1cc(ccc1Br)Cl 34a_100000687073_100011216708 [0,2,0,0,0,0|1,0,0]=3 21042 B14R1.218 OCCCCNc1cc(ccc1Br)F 34a_100000687223_100011216708 [0,2,0,0,0,0|1,0,0]=3 21043 B14R1.218 OCCCCNc1cc(ccc1Br)O 34a_100011999798_100011216708 [0,2,0,0,0,0|1,0,0]=3 21044 B14R1.218 OCCCCNc1cc(ccc1Cl)Br 34a_100000750497_100011216708 [0,2,0,0,0,0|1,0,0]=3 21045 B14R1.218 OCCCCNc1cc(ccc1Cl)Cl 34a_100000184485_100011216708 [0,2,0,0,0,0|1,0,0]=3 21046 B14R1.218 OCCCCNc1cc(ccc1Cl)F 34a_100000751338_100011216708 [0,2,0,0,0,0|1,0,0]=3 21047 B14R1.218 OCCCCNc1cc(ccc1Cl)I 34a_200000761891_100011216708 [0,2,0,0,0,0|1,0,0]=3 21048 B14R1.218 OCCCCNc1cc(ccc1Cl)O 34a_100011934297_100011216708 [0,2,0,0,0,0|1,0,0]=3 21049 B14R1.218 OCCCCNc1cc(ccc1F)Br 34a_100000740924_100011216708 [0,2,0,0,0,0|1,0,0]=3 21050 B14R1.218 OCCCCNc1cc(ccc1F)Cl 34a_100000212115_100011216708 [0,2,0,0,0,0|1,0,0]=3 21051 B14R1.218 OCCCCNc1cc(ccc1F)F 34a_100000210742_100011216708 [0,2,0,0,0,0|1,0,0]=3 21052 B14R1.218 OCCCCNc1cc(ccc1F)I 34a_100011464823_100011216708 [0,2,0,0,0,0|1,0,0]=3 21053 B14R1.218 OCCCCNc1cc(ccc1F)O 34a_100012017239_100011216708 [0,2,0,0,0,0|1,0,0]=3 21054 B14R1.218 OCCCCNc1cc(ccc1I)Br 34a_100000743836_100011216708 [0,2,0,0,0,0|1,0,0]=3 21055 B14R1.218 OCCCCNc1cc(ccc1I)Cl 34a_100000761886_100011216708 [0,2,0,0,0,0|1,0,0]=3 21056 B14R1.218 OCCCCNc1cc(ccc1I)F 34a_100011218093_100011216708 [0,2,0,0,0,0|1,0,0]=3 21057 B14R1.218 OCCCCNc1cc(ccc1O)Br 34a_100000752626_100011216708 [0,2,0,0,0,0|1,0,0]=3 21058 B14R1.218 OCCCCNc1cc(ccc1O)Cl 34a_100000210500_100011216708 [0,2,0,0,0,0|1,0,0]=3 21059 B14R1.218 OCCCCNc1cc(ccc1O)F 34a_100000759472_100011216708 [0,2,0,0,0,0|1,0,0]=3 21060 B14R1.218 OCCCCNc1cc(cnc1F)Br 27a_100000750430_100010172738 [0,2,0,0,0,0|2,0,0]=4 21061 B14R1.218 OCCCCNc1cc(cnc1F)Cl 27a_100000750430_100010188783 [0,2,0,0,0,0|2,0,0]=4 21062 B14R1.218 OCCCCNc1cc(ncc1Br)Br 27a_100000750430_100010171693 [0,2,0,0,0,0|2,0,0]=4 21063 B14R1.218 OCCCCNc1cc(ncc1Cl)F 27a_100000750430_100009892587 [0,2,0,0,0,0|2,0,0]=4 21064 B14R1.218 OCCCCNc1cc(ncc1F)F 27a_100000750430_100010233071 [0,2,0,0,0,0|2,0,0]=4 21065 B14R1.218 OCCCCNc1nc(ccc1F)F 27a_100000750430_100010997973 [0,2,0,0,0,0|2,0,0]=4 21066 B14R1.218 OCCCCOc1cc(ccc1Br)Br 34a_100011220040_100011216708 [0,2,0,0,0,0|1,0,0]=3 21067 B14R1.218 OCCCCOc1cc(ccc1Br)Br 7a_100011220040_100000210776 [0,2,0,0,0,0|1,0,0]=3 21068 B14R1.218 OCCCCOc1cc(ccc1Br)Cl 34a_100012339455_100011216708 [0,2,0,0,0,0|1,0,0]=3 21069 B14R1.218 OCCCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210776 [0,2,0,0,0,0|1,0,0]=3 21070 B14R1.218 OCCCCOc1cc(ccc1Br)F 34a_100000690578_100011216708 [0,2,0,0,0,0|1,0,0]=3 21071 B14R1.218 OCCCCOc1cc(ccc1Br)F 7a_100000690578_100000210776 [0,2,0,0,0,0|1,0,0]=3 21072 B14R1.218 OCCCCOc1cc(ccc1Br)I 34a_100012356990_100011216708 [0,2,0,0,0,0|1,0,0]=3 21073 B14R1.218 OCCCCOc1cc(ccc1Br)I 7a_100012356990_100000210776 [0,2,0,0,0,0|1,0,0]=3 21074 B14R1.218 OCCCCOc1cc(ccc1Cl)Br 34a_100000738945_100011216708 [0,2,0,0,0,0|1,0,0]=3 21075 B14R1.218 OCCCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210776 [0,2,0,0,0,0|1,0,0]=3 21076 B14R1.218 OCCCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011216708 [0,2,0,0,0,0|1,0,0]=3 21077 B14R1.218 OCCCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210776 [0,2,0,0,0,0|1,0,0]=3 21078 B14R1.218 OCCCCOc1cc(ccc1Cl)F 34a_100000692107_100011216708 [0,2,0,0,0,0|1,0,0]=3 21079 B14R1.218 OCCCCOc1cc(ccc1Cl)F 7a_100000692107_100000210776 [0,2,0,0,0,0|1,0,0]=3 21080 B14R1.218 OCCCCOc1cc(ccc1Cl)I 34a_100011356854_100011216708 [0,2,0,0,0,0|1,0,0]=3 21081 B14R1.218 OCCCCOc1cc(ccc1Cl)I 7a_100011356854_100000210776 [0,2,0,0,0,0|1,0,0]=3 21082 B14R1.218 OCCCCOc1cc(ccc1F)Br 34a_100000686035_100011216708 [0,2,0,0,0,0|1,0,0]=3 21083 B14R1.218 OCCCCOc1cc(ccc1F)Br 7a_100000686035_100000210776 [0,2,0,0,0,0|1,0,0]=3 21084 B14R1.218 OCCCCOc1cc(ccc1F)Cl 34a_100000757397_100011216708 [0,2,0,0,0,0|1,0,0]=3 21085 B14R1.218 OCCCCOc1cc(ccc1F)Cl 7a_100000757397_100000210776 [0,2,0,0,0,0|1,0,0]=3 21086 B14R1.218 OCCCCOc1cc(ccc1F)F 34a_100000752141_100011216708 [0,2,0,0,0,0|1,0,0]=3 21087 B14R1.218 OCCCCOc1cc(ccc1F)F 7a_100000752141_100000210776 [0,2,0,0,0,0|1,0,0]=3 21088 B14R1.218 OCCCCOc1cc(ccc1F)I 34a_100009958187_100011216708 [0,2,0,0,0,0|1,0,0]=3 21089 B14R1.218 OCCCCOc1cc(ccc1F)I 7a_100009958187_100000210776 [0,2,0,0,0,0|1,0,0]=3 21090 B14R1.218 OCCCCOc1cc(ccc1I)Br 34a_100012344904_100011216708 [0,2,0,0,0,0|1,0,0]=3 21091 B14R1.218 OCCCCOc1cc(ccc1I)Br 7a_100012344904_100000210776 [0,2,0,0,0,0|1,0,0]=3 21092 B14R1.218 OCCCCOc1cc(ccc1I)Cl 34a_100000050036_100011216708 [0,2,0,0,0,0|1,0,0]=3 21093 B14R1.218 OCCCCOc1cc(ccc1I)Cl 7a_100000050036_100000210776 [0,2,0,0,0,0|1,0,0]=3 21094 B14R1.218 OCCCCOc1cc(ccc1I)F 34a_100010084537_100011216708 [0,2,0,0,0,0|1,0,0]=3 21095 B14R1.218 OCCCCOc1cc(ccc1I)F 7a_100010084537_100000210776 [0,2,0,0,0,0|1,0,0]=3 21096 B14R1.218 OCCCCOc1cc(cnc1Br)Cl 34a_100000697010_100011216708 [0,2,0,0,0,0|2,0,0]=4 21097 B14R1.218 OCCCCOc1cc(cnc1Br)Cl 7a_100000697010_100000210776 [0,2,0,0,0,0|2,0,0]=4 21098 B14R1.218 OCCCCOc1cc(cnc1Br)F 34a_100009820119_100011216708 [0,2,0,0,0,0|2,0,0]=4 21099 B14R1.218 OCCCCOc1cc(cnc1Br)F 7a_100009820119_100000210776 [0,2,0,0,0,0|2,0,0]=4 21100 B14R1.218 OCCCCOc1cc(cnc1Cl)Br 34a_100012354860_100011216708 [0,2,0,0,0,0|2,0,0]=4 21101 B14R1.218 OCCCCOc1cc(cnc1Cl)Br 7a_100012354860_100000210776 [0,2,0,0,0,0|2,0,0]=4 21102 B14R1.218 OCCCCOc1cc(cnc1Cl)F 34a_100000079967_100011216708 [0,2,0,0,0,0|2,0,0]=4 21103 B14R1.218 OCCCCOc1cc(cnc1Cl)F 7a_100000079967_100000210776 [0,2,0,0,0,0|2,0,0]=4 21104 B14R1.218 OCCCCOc1cc(cnc1F)Br 34a_100009819871_100011216708 [0,2,0,0,0,0|2,0,0]=4 21105 B14R1.218 OCCCCOc1cc(cnc1F)Br 7a_100009819871_100000210776 [0,2,0,0,0,0|2,0,0]=4 21106 B14R1.218 OCCCCOc1cc(cnc1F)Cl 34a_100000094372_100011216708 [0,2,0,0,0,0|2,0,0]=4 21107 B14R1.218 OCCCCOc1cc(cnc1F)Cl 7a_100000094372_100000210776 [0,2,0,0,0,0|2,0,0]=4 21108 B14R1.218 OCCCCOc1cc(cnc1I)Br 34a_100010210634_100011216708 [0,2,0,0,0,0|2,0,0]=4 21109 B14R1.218 OCCCCOc1cc(cnc1I)Br 7a_100010210634_100000210776 [0,2,0,0,0,0|2,0,0]=4 21110 B14R1.218 OCCCCOc1cc(cnc1I)Cl 34a_100010233512_100011216708 [0,2,0,0,0,0|2,0,0]=4 21111 B14R1.218 OCCCCOc1cc(cnc1I)Cl 7a_100010233512_100000210776 [0,2,0,0,0,0|2,0,0]=4 21112 B14R1.218 OCCCCOc1cc(cnc1I)F 34a_100015624800_100011216708 [0,2,0,0,0,0|2,0,0]=4 21113 B14R1.218 OCCCCOc1cc(cnc1I)F 7a_100015624800_100000210776 [0,2,0,0,0,0|2,0,0]=4 21114 B14R1.218 OCCCCOc1cc(ncc1Br)Br 34a_100010235016_100011216708 [0,2,0,0,0,0|2,0,0]=4 21115 B14R1.218 OCCCCOc1cc(ncc1Br)Cl 34a_100010173860_100011216708 [0,2,0,0,0,0|2,0,0]=4 21116 B14R1.218 OCCCCOc1cc(ncc1Cl)Br 34a_100010173861_100011216708 [0,2,0,0,0,0|2,0,0]=4 21117 B14R1.218 OCCCCOc1cc(ncc1F)Br 34a_100009854642_100011216708 [0,2,0,0,0,0|2,0,0]=4 21118 B14R1.218 OCCCCOc1cc(ncc1F)Cl 34a_100009851168_100011216708 [0,2,0,0,0,0|2,0,0]=4 21119 B14R1.218 OCCCCOc1nc(ccc1F)Cl 34a_100010729010_100011216708 [0,2,0,0,0,0|2,0,0]=4 21120 B14R1.218 OCCCCSc1cc(ccc1Br)Br 62a_100000210776_100011483371 [0,2,0,0,0,0|1,0,0]=3 21121 B14R1.218 OCCCCSc1cc(ccc1Br)Br 62a_100011483371_100000210776 [0,2,0,0,0,0|1,0,0]=3 21122 B14R1.218 OCCCCSc1cc(ccc1Br)Cl 62a_100000210776_100012339723 [0,2,0,0,0,0|1,0,0]=3 21123 B14R1.218 OCCCCSc1cc(ccc1Br)Cl 62a_100012339723_100000210776 [0,2,0,0,0,0|1,0,0]=3 21124 B14R1.218 OCCCCSc1cc(ccc1Br)F 62a_100000210776_100011217576 [0,2,0,0,0,0|1,0,0]=3 21125 B14R1.218 OCCCCSc1cc(ccc1Br)F 62a_100011217576_100000210776 [0,2,0,0,0,0|1,0,0]=3 21126 B14R1.218 OCCCCSc1cc(ccc1Br)O 62a_100000210776_100012339312 [0,2,0,0,0,0|1,0,0]=3 21127 B14R1.218 OCCCCSc1cc(ccc1Br)O 62a_100012339312_100000210776 [0,2,0,0,0,0|1,0,0]=3 21128 B14R1.218 OCCCCSc1cc(ccc1Cl)Br 62a_100000210776_100011772130 [0,2,0,0,0,0|1,0,0]=3 21129 B14R1.218 OCCCCSc1cc(ccc1Cl)Br 62a_100011772130_100000210776 [0,2,0,0,0,0|1,0,0]=3 21130 B14R1.218 OCCCCSc1cc(ccc1Cl)Cl 62a_100000210776_100000707729 [0,2,0,0,0,0|1,0,0]=3 21131 B14R1.218 OCCCCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210776 [0,2,0,0,0,0|1,0,0]=3 21132 B14R1.218 OCCCCSc1cc(ccc1Cl)F 62a_100000210776_100011217299 [0,2,0,0,0,0|1,0,0]=3 21133 B14R1.218 OCCCCSc1cc(ccc1Cl)F 62a_100011217299_100000210776 [0,2,0,0,0,0|1,0,0]=3 21134 B14R1.218 OCCCCSc1cc(ccc1Cl)O 62a_100000049588_100000210776 [0,2,0,0,0,0|1,0,0]=3 21135 B14R1.218 OCCCCSc1cc(ccc1Cl)O 62a_100000210776_100000049588 [0,2,0,0,0,0|1,0,0]=3 21136 B14R1.218 OCCCCSc1cc(ccc1F)Br 62a_100000210776_100011217312 [0,2,0,0,0,0|1,0,0]=3 21137 B14R1.218 OCCCCSc1cc(ccc1F)Br 62a_100011217312_100000210776 [0,2,0,0,0,0|1,0,0]=3 21138 B14R1.218 OCCCCSc1cc(ccc1F)Cl 62a_100000210776_100011218116 [0,2,0,0,0,0|1,0,0]=3 21139 B14R1.218 OCCCCSc1cc(ccc1F)Cl 62a_100011218116_100000210776 [0,2,0,0,0,0|1,0,0]=3 21140 B14R1.218 OCCCCSc1cc(ccc1F)F 62a_100000210776_100011219198 [0,2,0,0,0,0|1,0,0]=3 21141 B14R1.218 OCCCCSc1cc(ccc1F)F 62a_100011219198_100000210776 [0,2,0,0,0,0|1,0,0]=3 21142 B14R1.218 OCCCCSc1cc(ccc1F)O 62a_100000210776_100000693481 [0,2,0,0,0,0|1,0,0]=3 21143 B14R1.218 OCCCCSc1cc(ccc1F)O 62a_100000693481_100000210776 [0,2,0,0,0,0|1,0,0]=3 21144 B14R1.218 OCCCCSc1cc(ccc1O)Br 62a_100000210776_100012355227 [0,2,0,0,0,0|1,0,0]=3 21145 B14R1.218 OCCCCSc1cc(ccc1O)Br 62a_100012355227_100000210776 [0,2,0,0,0,0|1,0,0]=3 21146 B14R1.218 OCCCCSc1cc(ccc1O)Cl 62a_100000210776_100011356953 [0,2,0,0,0,0|1,0,0]=3 21147 B14R1.218 OCCCCSc1cc(ccc1O)Cl 62a_100011356953_100000210776 [0,2,0,0,0,0|1,0,0]=3 21148 B14R1.218 OCCCCSc1cc(ccc1O)F 62a_100000210776_100000211999 [0,2,0,0,0,0|1,0,0]=3 21149 B14R1.218 OCCCCSc1cc(ccc1O)F 62a_100000211999_100000210776 [0,2,0,0,0,0|1,0,0]=3 21150 B14R1.218 OCCCCSc1cc(ccc1O)O 62a_100000210776_100009813629 [0,2,0,0,0,0|1,0,0]=3 21151 B14R1.218 OCCCCSc1cc(cnc1Cl)Br 62a_100000210776_100009814771 [0,2,0,0,0,0|2,0,0]=4 21152 B14R1.218 OCCCCSc1cc(cnc1Cl)Br 62a_100009814771_100000210776 [0,2,0,0,0,0|2,0,0]=4 21153 B14R1.218 OCCCCSc1cc(cnc1Cl)Cl 62a_100000210776_200000062399 [0,2,0,0,0,0|2,0,0]=4 21154 B14R1.218 OCCCCSc1cc(cnc1Cl)Cl 62a_200000062399_100000210776 [0,2,0,0,0,0|2,0,0]=4 21155 B14R1.218 OCCCCSc1cc(cnc1F)Br 62a_100000210776_100010172738 [0,2,0,0,0,0|2,0,0]=4 21156 B14R1.218 OCCCCSc1cc(cnc1F)Br 62a_100010172738_100000210776 [0,2,0,0,0,0|2,0,0]=4 21157 B14R1.218 OCCCCSc1cc(cnc1F)Cl 62a_100000210776_100010188783 [0,2,0,0,0,0|2,0,0]=4 21158 B14R1.218 OCCCCSc1cc(cnc1F)Cl 62a_100010188783_100000210776 [0,2,0,0,0,0|2,0,0]=4 21159 B14R1.218 OCCCCSc1cc(cnc1F)F 62a_100000210776_100009820768 [0,2,0,0,0,0|2,0,0]=4 21160 B14R1.218 OCCCCSc1cc(cnc1F)F 62a_100009820768_100000210776 [0,2,0,0,0,0|2,0,0]=4 21161 B14R1.218 OCCCCSc1cc(cnc1F)O 62a_100000210776_100009817267 [0,2,0,0,0,0|2,0,0]=4 21162 B14R1.218 OCCCCSc1cc(cnc1F)O 62a_100009817267_100000210776 [0,2,0,0,0,0|2,0,0]=4 21163 B14R1.218 OCCCCSc1cc(cnc1O)Br 62a_100000210776_100010197142 [0,2,0,0,0,0|2,0,0]=4 21164 B14R1.218 OCCCCSc1cc(cnc1O)Br 62a_100010197142_100000210776 [0,2,0,0,0,0|2,0,0]=4 21165 B14R1.218 OCCCCSc1cc(cnc1O)Cl 62a_100000210776_100010188700 [0,2,0,0,0,0|2,0,0]=4 21166 B14R1.218 OCCCCSc1cc(cnc1O)Cl 62a_100010188700_100000210776 [0,2,0,0,0,0|2,0,0]=4 21167 B14R1.218 OCCCCSc1cc(ncc1Br)Br 62a_100000210776_100010171693 [0,2,0,0,0,0|2,0,0]=4 21168 B14R1.218 OCCCCSc1cc(ncc1Br)Br 62a_100010171693_100000210776 [0,2,0,0,0,0|2,0,0]=4 21169 B14R1.218 OCCCCSc1cc(ncc1Br)Cl 62a_100000210776_100009815598 [0,2,0,0,0,0|2,0,0]=4 21170 B14R1.218 OCCCCSc1cc(ncc1Br)Cl 62a_100009815598_100000210776 [0,2,0,0,0,0|2,0,0]=4 21171 B14R1.218 OCCCCSc1cc(ncc1Cl)Br 62a_100000210776_100010223331 [0,2,0,0,0,0|2,0,0]=4 21172 B14R1.218 OCCCCSc1cc(ncc1Cl)Br 62a_100010223331_100000210776 [0,2,0,0,0,0|2,0,0]=4 21173 B14R1.218 OCCCCSc1cc(ncc1Cl)Cl 62a_100000210776_100010172835 [0,2,0,0,0,0|2,0,0]=4 21174 B14R1.218 OCCCCSc1cc(ncc1Cl)Cl 62a_100010172835_100000210776 [0,2,0,0,0,0|2,0,0]=4 21175 B14R1.218 OCCCCSc1cc(ncc1Cl)F 62a_100000210776_100009892587 [0,2,0,0,0,0|2,0,0]=4 21176 B14R1.218 OCCCCSc1cc(ncc1Cl)F 62a_100009892587_100000210776 [0,2,0,0,0,0|2,0,0]=4 21177 B14R1.218 OCCCCSc1cc(ncc1F)Br 62a_100000210776_100010193852 [0,2,0,0,0,0|2,0,0]=4 21178 B14R1.218 OCCCCSc1cc(ncc1F)Br 62a_100010193852_100000210776 [0,2,0,0,0,0|2,0,0]=4 21179 B14R1.218 OCCCCSc1cc(ncc1F)Cl 62a_100000210776_100000708277 [0,2,0,0,0,0|2,0,0]=4 21180 B14R1.218 OCCCCSc1cc(ncc1F)Cl 62a_100000708277_100000210776 [0,2,0,0,0,0|2,0,0]=4 21181 B14R1.218 OCCCCSc1cc(ncc1F)F 62a_100000210776_100010233071 [0,2,0,0,0,0|2,0,0]=4 21182 B14R1.218 OCCCCSc1cc(ncc1F)F 62a_100010233071_100000210776 [0,2,0,0,0,0|2,0,0]=4 21183 B14R1.218 OCCCCSc1cc(ncc1O)Cl 62a_100000210776_100000698892 [0,2,0,0,0,0|2,0,0]=4 21184 B14R1.218 OCCCCSc1cc(ncc1O)Cl 62a_100000698892_100000210776 [0,2,0,0,0,0|2,0,0]=4 21185 B14R1.218 OCCCCSc1nc(ccc1F)Cl 62a_100000210776_100010136221 [0,2,0,0,0,0|2,0,0]=4 21186 B14R1.218 OCCCCSc1nc(ccc1F)Cl 62a_100010136221_100000210776 [0,2,0,0,0,0|2,0,0]=4 21187 B14R1.218 OCCCCSc1nc(ccc1F)F 62a_100000210776_100010997973 [0,2,0,0,0,0|2,0,0]=4 21188 B14R1.218 OCCCCSc1nc(ccc1F)F 62a_100010997973_100000210776 [0,2,0,0,0,0|2,0,0]=4 21189 B14R1.218 OCCCCSc1nc(ccc1O)Br 62a_100000210776_100010253912 [0,2,0,0,0,0|2,0,0]=4 21190 B14R1.218 OCCCCSc1nc(ccc1O)Br 62a_100010253912_100000210776 [0,2,0,0,0,0|2,0,0]=4 21191 B14R1.218 OCCCCSc1nc(ccc1O)Cl 62a_100000210776_100000696390 [0,2,0,0,0,0|2,0,0]=4 21192 B14R1.218 OCCCCSc1nc(ccc1O)F 62a_100000210776_100010382442 [0,2,0,0,0,0|2,0,0]=4 21193 B14R1.218 OCCCCSc1nc(ccc1O)F 62a_100010382442_100000210776 [0,2,0,0,0,0|2,0,0]=4 21194 B14R1.218 OCCCNCc1cc(ccc1Br)Br 207a_100000182051_100011266429 [0,2,0,0,0,0|1,0,0]=3 21195 B14R1.218 OCCCNCc1cc(ccc1Br)Br 270004a_100000182051_100011266429 [0,2,0,0,0,0|1,0,0]=3 21196 B14R1.218 OCCCNCc1cc(ccc1Br)Br 34a_100000707832_100000230001 [0,2,0,0,0,0|1,0,0]=3 21197 B14R1.218 OCCCNCc1cc(ccc1Br)Cl 207a_100000182051_100000746314 [0,2,0,0,0,0|1,0,0]=3 21198 B14R1.218 OCCCNCc1cc(ccc1Br)Cl 270004a_100000182051_100000746314 [0,2,0,0,0,0|1,0,0]=3 21199 B14R1.218 OCCCNCc1cc(ccc1Br)F 207a_100000182051_100000766564 [0,2,0,0,0,0|1,0,0]=3 21200 B14R1.218 OCCCNCc1cc(ccc1Br)F 2230a_100000742738_100000230001 [0,2,0,0,0,0|1,0,0]=3 21201 B14R1.218 OCCCNCc1cc(ccc1Br)F 270004a_100000182051_100000766564 [0,2,0,0,0,0|1,0,0]=3 21202 B14R1.218 OCCCNCc1cc(ccc1Br)F 34a_100000742738_100000230001 [0,2,0,0,0,0|1,0,0]=3 21203 B14R1.218 OCCCNCc1cc(ccc1Br)I 207a_100000182051_100010185652 [0,2,0,0,0,0|1,0,0]=3 21204 B14R1.218 OCCCNCc1cc(ccc1Cl)Br 207a_100000182051_100000746309 [0,2,0,0,0,0|1,0,0]=3 21205 B14R1.218 OCCCNCc1cc(ccc1Cl)Br 270004a_100000182051_100000746309 [0,2,0,0,0,0|1,0,0]=3 21206 B14R1.218 OCCCNCc1cc(ccc1Cl)Br 34a_100025772652_100000230001 [0,2,0,0,0,0|1,0,0]=3 21207 B14R1.218 OCCCNCc1cc(ccc1Cl)Cl 207a_100000182051_100000746308 [0,2,0,0,0,0|1,0,0]=3 21208 B14R1.218 OCCCNCc1cc(ccc1Cl)Cl 270004a_100000182051_100000746308 [0,2,0,0,0,0|1,0,0]=3 21209 B14R1.218 OCCCNCc1cc(ccc1Cl)Cl 34a_100102946428_100000230001 [0,2,0,0,0,0|1,0,0]=3 21210 B14R1.218 OCCCNCc1cc(ccc1Cl)F 207a_100000182051_100011218309 [0,2,0,0,0,0|1,0,0]=3 21211 B14R1.218 OCCCNCc1cc(ccc1Cl)F 2230a_100011830483_100000230001 [0,2,0,0,0,0|1,0,0]=3 21212 B14R1.218 OCCCNCc1cc(ccc1Cl)F 270004a_100000182051_100011218309 [0,2,0,0,0,0|1,0,0]=3 21213 B14R1.218 OCCCNCc1cc(ccc1Cl)F 34a_100011830483_100000230001 [0,2,0,0,0,0|1,0,0]=3 21214 B14R1.218 OCCCNCc1cc(ccc1Cl)I 207a_100000182051_100010254384 [0,2,0,0,0,0|1,0,0]=3 21215 B14R1.218 OCCCNCc1cc(ccc1F)Br 207a_100000182051_100000211465 [0,2,0,0,0,0|1,0,0]=3 21216 B14R1.218 OCCCNCc1cc(ccc1F)Br 270004a_100000182051_100000211465 [0,2,0,0,0,0|1,0,0]=3 21217 B14R1.218 OCCCNCc1cc(ccc1F)Br 34a_100009815772_100000230001 [0,2,0,0,0,0|1,0,0]=3 21218 B14R1.218 OCCCNCc1cc(ccc1F)Cl 207a_100000182051_100000745245 [0,2,0,0,0,0|1,0,0]=3 21219 B14R1.218 OCCCNCc1cc(ccc1F)Cl 270004a_100000182051_100000745245 [0,2,0,0,0,0|1,0,0]=3 21220 B14R1.218 OCCCNCc1cc(ccc1F)Cl 34a_100011211646_100000230001 [0,2,0,0,0,0|1,0,0]=3 21221 B14R1.218 OCCCNCc1cc(ccc1F)F 207a_100000182051_100000740046 [0,2,0,0,0,0|1,0,0]=3 21222 B14R1.218 OCCCNCc1cc(ccc1F)F 270004a_100000182051_100000740046 [0,2,0,0,0,0|1,0,0]=3 21223 B14R1.218 OCCCNCc1cc(ccc1F)F 34a_100000752317_100000230001 [0,2,0,0,0,0|1,0,0]=3 21224 B14R1.218 OCCCNCc1cc(ccc1F)I 207a_100000182051_100000050626 [0,2,0,0,0,0|1,0,0]=3 21225 B14R1.218 OCCCNCc1cc(ccc1I)Br 207a_100000182051_100010185651 [0,2,0,0,0,0|1,0,0]=3 21226 B14R1.218 OCCCNCc1cc(ccc1I)Br 270004a_100000182051_100010185651 [0,2,0,0,0,0|1,0,0]=3 21227 B14R1.218 OCCCNCc1cc(ccc1I)Cl 207a_100000182051_100010254386 [0,2,0,0,0,0|1,0,0]=3 21228 B14R1.218 OCCCNCc1cc(ccc1I)Cl 270004a_100000182051_100010254386 [0,2,0,0,0,0|1,0,0]=3 21229 B14R1.218 OCCCNCc1cc(ccc1I)F 207a_100000182051_100010186294 [0,2,0,0,0,0|1,0,0]=3 21230 B14R1.218 OCCCNCc1cc(ccc1I)F 270004a_100000182051_100010186294 [0,2,0,0,0,0|1,0,0]=3 21231 B14R1.218 OCCCNCc1cc(ccc1O)Br 34a_100000730032_100000230001 [0,2,0,0,0,0|1,0,0]=3 21232 B14R1.218 OCCCNCc1cc(ccc1O)Cl 34a_100000238540_100000230001 [0,2,0,0,0,0|1,0,0]=3 21233 B14R1.218 OCCCNCc1cc(cnc1Br)Br 207a_100000182051_100010177830 [0,2,0,0,0,0|2,0,0]=4 21234 B14R1.218 OCCCNCc1cc(cnc1Br)F 2230a_100010760786_100000230001 [0,2,0,0,0,0|2,0,0]=4 21235 B14R1.218 OCCCNCc1cc(cnc1Br)F 34a_100010760786_100000230001 [0,2,0,0,0,0|2,0,0]=4 21236 B14R1.218 OCCCNCc1cc(cnc1Cl)Br 207a_100000182051_100009816941 [0,2,0,0,0,0|2,0,0]=4 21237 B14R1.218 OCCCNCc1cc(cnc1Cl)Cl 207a_100000182051_100000086932 [0,2,0,0,0,0|2,0,0]=4 21238 B14R1.218 OCCCNCc1cc(cnc1Cl)F 207a_100000182051_100000079965 [0,2,0,0,0,0|2,0,0]=4 21239 B14R1.218 OCCCNCc1cc(cnc1O)Br 207a_100000182051_100010064889 [0,2,0,0,0,0|2,0,0]=4 21240 B14R1.218 OCCCNCc1cc(cnc1O)Br 270004a_100000182051_100010064889 [0,2,0,0,0,0|2,0,0]=4 21241 B14R1.218 OCCCNCc1cc(ncc1Br)Br 270004a_100000182051_100010230906 [0,2,0,0,0,0|2,0,0]=4 21242 B14R1.218 OCCCNCc1cc(ncc1Cl)Br 270004a_100000182051_100010214479 [0,2,0,0,0,0|2,0,0]=4 21243 B14R1.218 OCCCNCc1cc(ncc1Cl)Cl 270004a_100000182051_100000050890 [0,2,0,0,0,0|2,0,0]=4 21244 B14R1.218 OCCCNCc1cc(ncc1F)Br 270004a_100000182051_100000707870 [0,2,0,0,0,0|2,0,0]=4 21245 B14R1.218 OCCCNCc1nc(ccc1Br)Cl 270004a_100000182051_100000734296 [0,2,0,0,0,0|2,0,0]=4 21246 B14R1.218 OCCCNCc1nc(ccc1Cl)Cl 270004a_100000182051_100011935248 [0,2,0,0,0,0|2,0,0]=4 21247 B14R1.218 OCCCNCc1nc(ccc1F)Br 270004a_100000182051_100009814804 [0,2,0,0,0,0|2,0,0]=4 21248 B14R1.218 OCCCNCc1nc(ccc1F)Cl 2230a_100009887702_100000230001 [0,2,0,0,0,0|2,0,0]=4 21249 B14R1.218 OCCCNCc1nc(ccc1F)Cl 270004a_100000182051_100000050918 [0,2,0,0,0,0|2,0,0]=4 21250 B14R1.218 OCCCNCc1nc(ccc1F)Cl 34a_100009887702_100000230001 [0,2,0,0,0,0|2,0,0]=4 21251 B14R1.218 OCCCOCc1cc(ccc1Br)Br 34a_100011266457_100000230001 [0,2,0,0,0,0|1,0,0]=3 21252 B14R1.218 OCCCOCc1cc(ccc1Br)Br 7a_100011266457_100011215043 [0,2,0,0,0,0|1,0,0]=3 21253 B14R1.218 OCCCOCc1cc(ccc1Br)Cl 34a_100012355668_100000230001 [0,2,0,0,0,0|1,0,0]=3 21254 B14R1.218 OCCCOCc1cc(ccc1Br)Cl 7a_100012355668_100011215043 [0,2,0,0,0,0|1,0,0]=3 21255 B14R1.218 OCCCOCc1cc(ccc1Br)F 34a_100011217561_100000230001 [0,2,0,0,0,0|1,0,0]=3 21256 B14R1.218 OCCCOCc1cc(ccc1Br)F 7a_100011217561_100011215043 [0,2,0,0,0,0|1,0,0]=3 21257 B14R1.218 OCCCOCc1cc(ccc1Br)I 7a_100012359683_100011215043 [0,2,0,0,0,0|1,0,0]=3 21258 B14R1.218 OCCCOCc1cc(ccc1Cl)Br 34a_100011215897_100000230001 [0,2,0,0,0,0|1,0,0]=3 21259 B14R1.218 OCCCOCc1cc(ccc1Cl)Br 7a_100011215897_100011215043 [0,2,0,0,0,0|1,0,0]=3 21260 B14R1.218 OCCCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000230001 [0,2,0,0,0,0|1,0,0]=3 21261 B14R1.218 OCCCOCc1cc(ccc1Cl)Cl 7a_100000698905_100011215043 [0,2,0,0,0,0|1,0,0]=3 21262 B14R1.218 OCCCOCc1cc(ccc1Cl)F 34a_100011218361_100000230001 [0,2,0,0,0,0|1,0,0]=3 21263 B14R1.218 OCCCOCc1cc(ccc1Cl)F 7a_100011218361_100011215043 [0,2,0,0,0,0|1,0,0]=3 21264 B14R1.218 OCCCOCc1cc(ccc1Cl)I 34a_100010128486_100000230001 [0,2,0,0,0,0|1,0,0]=3 21265 B14R1.218 OCCCOCc1cc(ccc1Cl)I 7a_100010128486_100011215043 [0,2,0,0,0,0|1,0,0]=3 21266 B14R1.218 OCCCOCc1cc(ccc1F)Br 34a_100000246282_100000230001 [0,2,0,0,0,0|1,0,0]=3 21267 B14R1.218 OCCCOCc1cc(ccc1F)Br 7a_100000246282_100011215043 [0,2,0,0,0,0|1,0,0]=3 21268 B14R1.218 OCCCOCc1cc(ccc1F)Cl 34a_100011217248_100000230001 [0,2,0,0,0,0|1,0,0]=3 21269 B14R1.218 OCCCOCc1cc(ccc1F)Cl 7a_100011217248_100011215043 [0,2,0,0,0,0|1,0,0]=3 21270 B14R1.218 OCCCOCc1cc(ccc1F)F 34a_100011217725_100000230001 [0,2,0,0,0,0|1,0,0]=3 21271 B14R1.218 OCCCOCc1cc(ccc1F)F 7a_100011217725_100011215043 [0,2,0,0,0,0|1,0,0]=3 21272 B14R1.218 OCCCOCc1cc(ccc1F)I 34a_100000049604_100000230001 [0,2,0,0,0,0|1,0,0]=3 21273 B14R1.218 OCCCOCc1cc(ccc1F)I 7a_100000049604_100011215043 [0,2,0,0,0,0|1,0,0]=3 21274 B14R1.218 OCCCOCc1cc(ccc1I)Br 34a_100011356890_100000230001 [0,2,0,0,0,0|1,0,0]=3 21275 B14R1.218 OCCCOCc1cc(ccc1I)Br 7a_100011356890_100011215043 [0,2,0,0,0,0|1,0,0]=3 21276 B14R1.218 OCCCOCc1cc(ccc1I)F 34a_100010255287_100000230001 [0,2,0,0,0,0|1,0,0]=3 21277 B14R1.218 OCCCOCc1cc(ccc1I)F 7a_100010255287_100011215043 [0,2,0,0,0,0|1,0,0]=3 21278 B14R1.218 OCCCOCc1cc(cnc1Br)Cl 34a_200010065233_100000230001 [0,2,0,0,0,0|2,0,0]=4 21279 B14R1.218 OCCCOCc1cc(cnc1Br)Cl 7a_200010065233_100011215043 [0,2,0,0,0,0|2,0,0]=4 21280 B14R1.218 OCCCOCc1cc(cnc1Cl)Br 34a_100000734252_100000230001 [0,2,0,0,0,0|2,0,0]=4 21281 B14R1.218 OCCCOCc1cc(cnc1Cl)Br 7a_100000734252_100011215043 [0,2,0,0,0,0|2,0,0]=4 21282 B14R1.218 OCCCOCc1cc(cnc1Cl)Cl 34a_100000084153_100000230001 [0,2,0,0,0,0|2,0,0]=4 21283 B14R1.218 OCCCOCc1cc(cnc1Cl)Cl 7a_100000084153_100011215043 [0,2,0,0,0,0|2,0,0]=4 21284 B14R1.218 OCCCOCc1cc(cnc1Cl)F 34a_100000079972_100000230001 [0,2,0,0,0,0|2,0,0]=4 21285 B14R1.218 OCCCOCc1cc(cnc1Cl)F 7a_100000079972_100011215043 [0,2,0,0,0,0|2,0,0]=4 21286 B14R1.218 OCCCOCc1cc(cnc1F)Br 34a_100010202234_100000230001 [0,2,0,0,0,0|2,0,0]=4 21287 B14R1.218 OCCCOCc1cc(cnc1F)Br 7a_100010202234_100011215043 [0,2,0,0,0,0|2,0,0]=4 21288 B14R1.218 OCCCOCc1cc(cnc1F)Cl 34a_200000081815_100000230001 [0,2,0,0,0,0|2,0,0]=4 21289 B14R1.218 OCCCOCc1cc(cnc1F)Cl 7a_200000081815_100011215043 [0,2,0,0,0,0|2,0,0]=4 21290 B14R1.218 OCCCOCc1cc(ncc1Br)Br 34a_100010245045_100000230001 [0,2,0,0,0,0|2,0,0]=4 21291 B14R1.218 OCCCOCc1cc(ncc1Br)Br 7a_100010245045_100011215043 [0,2,0,0,0,0|2,0,0]=4 21292 B14R1.218 OCCCOCc1cc(ncc1Br)Cl 34a_100010245067_100000230001 [0,2,0,0,0,0|2,0,0]=4 21293 B14R1.218 OCCCOCc1cc(ncc1Br)Cl 7a_100010245067_100011215043 [0,2,0,0,0,0|2,0,0]=4 21294 B14R1.218 OCCCOCc1cc(ncc1Cl)Cl 34a_100000081519_100000230001 [0,2,0,0,0,0|2,0,0]=4 21295 B14R1.218 OCCCOCc1cc(ncc1Cl)Cl 7a_100000081519_100011215043 [0,2,0,0,0,0|2,0,0]=4 21296 B14R1.218 OCCCOCc1cc(ncc1F)Cl 34a_100000081974_100000230001 [0,2,0,0,0,0|2,0,0]=4 21297 B14R1.218 OCCCOCc1cc(ncc1F)Cl 7a_100000081974_100011215043 [0,2,0,0,0,0|2,0,0]=4 21298 B14R1.218 OCCCOCc1cc(ncc1F)F 34a_100000730792_100000230001 [0,2,0,0,0,0|2,0,0]=4 21299 B14R1.218 OCCCOCc1cc(ncc1F)F 7a_100000730792_100011215043 [0,2,0,0,0,0|2,0,0]=4 21300 B14R1.218 OCCCOCc1nc(ccc1Br)Br 34a_200010065229_100000230001 [0,2,0,0,0,0|2,0,0]=4 21301 B14R1.218 OCCCOCc1nc(ccc1Br)Br 7a_200010065229_100011215043 [0,2,0,0,0,0|2,0,0]=4 21302 B14R1.218 OCCCOCc1nc(ccc1Br)Cl 34a_100010244999_100000230001 [0,2,0,0,0,0|2,0,0]=4 21303 B14R1.218 OCCCOCc1nc(ccc1Br)F 34a_100000701195_100000230001 [0,2,0,0,0,0|2,0,0]=4 21304 B14R1.218 OCCCOCc1nc(ccc1Cl)Cl 34a_100000749784_100000230001 [0,2,0,0,0,0|2,0,0]=4 21305 B14R1.218 OCCCSCc1cc(ccc1Br)Br 62a_100011215043_100011982794 [0,2,0,0,0,0|1,0,0]=3 21306 B14R1.218 OCCCSCc1cc(ccc1Br)Br 62a_100011982794_100011215043 [0,2,0,0,0,0|1,0,0]=3 21307 B14R1.218 OCCCSCc1cc(ccc1Br)Cl 62a_100000733903_100011215043 [0,2,0,0,0,0|1,0,0]=3 21308 B14R1.218 OCCCSCc1cc(ccc1Br)Cl 62a_100011215043_100000733903 [0,2,0,0,0,0|1,0,0]=3 21309 B14R1.218 OCCCSCc1cc(ccc1Br)F 62a_100000736370_100011215043 [0,2,0,0,0,0|1,0,0]=3 21310 B14R1.218 OCCCSCc1cc(ccc1Br)F 62a_100011215043_100000736370 [0,2,0,0,0,0|1,0,0]=3 21311 B14R1.218 OCCCSCc1cc(ccc1Br)I 62a_100011215043_100012355412 [0,2,0,0,0,0|1,0,0]=3 21312 B14R1.218 OCCCSCc1cc(ccc1Br)I 62a_100012355412_100011215043 [0,2,0,0,0,0|1,0,0]=3 21313 B14R1.218 OCCCSCc1cc(ccc1Cl)Br 62a_100000763347_100011215043 [0,2,0,0,0,0|1,0,0]=3 21314 B14R1.218 OCCCSCc1cc(ccc1Cl)Br 62a_100011215043_100000763347 [0,2,0,0,0,0|1,0,0]=3 21315 B14R1.218 OCCCSCc1cc(ccc1Cl)Cl 62a_100000756322_100011215043 [0,2,0,0,0,0|1,0,0]=3 21316 B14R1.218 OCCCSCc1cc(ccc1Cl)Cl 62a_100011215043_100000756322 [0,2,0,0,0,0|1,0,0]=3 21317 B14R1.218 OCCCSCc1cc(ccc1Cl)F 62a_100000709952_100011215043 [0,2,0,0,0,0|1,0,0]=3 21318 B14R1.218 OCCCSCc1cc(ccc1Cl)F 62a_100011215043_100000709952 [0,2,0,0,0,0|1,0,0]=3 21319 B14R1.218 OCCCSCc1cc(ccc1Cl)I 62a_100010188191_100011215043 [0,2,0,0,0,0|1,0,0]=3 21320 B14R1.218 OCCCSCc1cc(ccc1Cl)I 62a_100011215043_100010188191 [0,2,0,0,0,0|1,0,0]=3 21321 B14R1.218 OCCCSCc1cc(ccc1F)Br 62a_100000736399_100011215043 [0,2,0,0,0,0|1,0,0]=3 21322 B14R1.218 OCCCSCc1cc(ccc1F)Br 62a_100011215043_100000736399 [0,2,0,0,0,0|1,0,0]=3 21323 B14R1.218 OCCCSCc1cc(ccc1F)Cl 62a_100000716957_100011215043 [0,2,0,0,0,0|1,0,0]=3 21324 B14R1.218 OCCCSCc1cc(ccc1F)Cl 62a_100011215043_100000716957 [0,2,0,0,0,0|1,0,0]=3 21325 B14R1.218 OCCCSCc1cc(ccc1F)F 62a_100000685659_100011215043 [0,2,0,0,0,0|1,0,0]=3 21326 B14R1.218 OCCCSCc1cc(ccc1F)F 62a_100011215043_100000685659 [0,2,0,0,0,0|1,0,0]=3 21327 B14R1.218 OCCCSCc1cc(ccc1F)I 62a_100011215043_200010149601 [0,2,0,0,0,0|1,0,0]=3 21328 B14R1.218 OCCCSCc1cc(ccc1F)I 62a_200010149601_100011215043 [0,2,0,0,0,0|1,0,0]=3 21329 B14R1.218 OCCCSCc1cc(ccc1I)Br 62a_100011215043_100012362523 [0,2,0,0,0,0|1,0,0]=3 21330 B14R1.218 OCCCSCc1cc(ccc1I)Br 62a_100012362523_100011215043 [0,2,0,0,0,0|1,0,0]=3 21331 B14R1.218 OCCCSCc1cc(ccc1I)Cl 62a_100011215043_100012348826 [0,2,0,0,0,0|1,0,0]=3 21332 B14R1.218 OCCCSCc1cc(ccc1I)Cl 62a_100012348826_100011215043 [0,2,0,0,0,0|1,0,0]=3 21333 B14R1.218 OCCCSCc1cc(ccc1I)F 62a_100010149606_100011215043 [0,2,0,0,0,0|1,0,0]=3 21334 B14R1.218 OCCCSCc1cc(ccc1I)F 62a_100011215043_100010149606 [0,2,0,0,0,0|1,0,0]=3 21335 B14R1.218 OCCCSCc1cc(ccc1O)F 62a_100010161318_100011215043 [0,2,0,0,0,0|1,0,0]=3 21336 B14R1.218 OCCCSCc1cc(ccc1O)F 62a_100011215043_100010161318 [0,2,0,0,0,0|1,0,0]=3 21337 B14R1.218 OCCCSCc1cc(cnc1Br)Br 62a_100010253922_100011215043 [0,2,0,0,0,0|2,0,0]=4 21338 B14R1.218 OCCCSCc1cc(cnc1Br)Br 62a_100011215043_100010253922 [0,2,0,0,0,0|2,0,0]=4 21339 B14R1.218 OCCCSCc1cc(cnc1Cl)Br 62a_100009816982_100011215043 [0,2,0,0,0,0|2,0,0]=4 21340 B14R1.218 OCCCSCc1cc(cnc1Cl)Br 62a_100011215043_100009816982 [0,2,0,0,0,0|2,0,0]=4 21341 B14R1.218 OCCCSCc1nc(ccc1Cl)Cl 62a_100000059412_100011215043 [0,2,0,0,0,0|2,0,0]=4 21342 B14R1.218 OCCCSCc1nc(ccc1Cl)Cl 62a_100011215043_100000059412 [0,2,0,0,0,0|2,0,0]=4 21343 B14R1.218 OCCCSCc1nc(ccc1F)Br 62a_100010065826_100011215043 [0,2,0,0,0,0|2,0,0]=4 21344 B14R1.218 OCCCSCc1nc(ccc1F)Br 62a_100011215043_100010065826 [0,2,0,0,0,0|2,0,0]=4 21345 B14R1.218 OCCCSCc1nc(ccc1F)Cl 62a_100009881012_100011215043 [0,2,0,0,0,0|2,0,0]=4 21346 B14R1.218 OCCCSCc1nc(ccc1F)Cl 62a_100011215043_100009881012 [0,2,0,0,0,0|2,0,0]=4 21347 B14R1.218 OCCNCCc1cc(ccc1Cl)Cl 2230a_100000705354_100000211926 [0,2,0,0,0,0|1,0,0]=3 21348 B14R1.218 OCCNCCc1cc(ccc1Cl)Cl 34a_100000705354_100000211926 [0,2,0,0,0,0|1,0,0]=3 21349 B14R1.218 OCCNCCc1cc(ccc1F)Cl 2230a_200011997525_100000211926 [0,2,0,0,0,0|1,0,0]=3 21350 B14R1.218 OCCNCCc1cc(ccc1F)Cl 34a_200011997525_100000211926 [0,2,0,0,0,0|1,0,0]=3 21351 B14R1.218 OCCNCCc1cc(ccc1F)F 2230a_100016997473_100011755056 [0,2,0,0,0,0|1,0,0]=3 21352 B14R1.218 OCCNCCc1cc(ccc1F)F 34a_100016990907_100011755056 [0,2,0,0,0,0|1,0,0]=3 21353 B14R1.218 OCCOCCc1cc(ccc1Br)Cl 34a_100012426913_100000211926 [0,2,0,0,0,0|1,0,0]=3 21354 B14R1.218 OCCOCCc1cc(ccc1Br)Cl 7a_100012426913_100000211926 [0,2,0,0,0,0|1,0,0]=3 21355 B14R1.218 OCCOCCc1cc(ccc1Cl)Cl 34a_100011754359_100000211926 [0,2,0,0,0,0|1,0,0]=3 21356 B14R1.218 OCCOCCc1cc(ccc1Cl)Cl 7a_100011754359_100000211926 [0,2,0,0,0,0|1,0,0]=3 21357 B14R1.218 OCCOCCc1cc(ccc1F)F 34a_100011755048_100000211926 [0,2,0,0,0,0|1,0,0]=3 21358 B14R1.218 OCCOCCc1cc(ccc1F)F 7a_100011755048_100000211926 [0,2,0,0,0,0|1,0,0]=3 21359 B14R1.218 OCCSCCc1cc(ccc1F)F 62a_100000211926_100011755056 [0,2,0,0,0,0|1,0,0]=3 21360 B14R1.218 OCCSCCc1cc(ccc1F)F 62a_100011755056_100000211926 [0,2,0,0,0,0|1,0,0]=3 21361 B14R1.218 Oc1ccc(c(c1)NCCCCF)Br 34a_100011999798_100000729493 [0,2,0,0,0,0|2,0,0]=4 21362 B14R1.218 Oc1ccc(c(c1)NCCCCF)Cl 34a_100011934297_100000729493 [0,2,0,0,0,0|2,0,0]=4 21363 B14R1.218 Oc1ccc(c(c1)NCCCCF)F 34a_100012017239_100000729493 [0,2,0,0,0,0|2,0,0]=4 21364 B14R1.218 Oc1ccc(c(c1)SCCCCF)Br 62a_100000729493_100012339312 [0,2,0,0,0,0|2,0,0]=4 21365 B14R1.218 Oc1ccc(c(c1)SCCCCF)Br 62a_100012339312_100000729493 [0,2,0,0,0,0|2,0,0]=4 21366 B14R1.218 Oc1ccc(c(c1)SCCCCF)Cl 62a_100000049588_100000729493 [0,2,0,0,0,0|2,0,0]=4 21367 B14R1.218 Oc1ccc(c(c1)SCCCCF)Cl 62a_100000729493_100000049588 [0,2,0,0,0,0|2,0,0]=4 21368 B14R1.218 Oc1ccc(c(c1)SCCCCF)F 62a_100000693481_100000729493 [0,2,0,0,0,0|2,0,0]=4 21369 B14R1.218 Oc1ccc(c(c1)SCCCCF)F 62a_100000729493_100000693481 [0,2,0,0,0,0|2,0,0]=4 21370 B14R1.218 Oc1ccc(c(c1)SCCCCF)O 62a_100000729493_100009813629 [0,2,0,0,0,0|2,0,0]=4 21371 B14R1.218 Oc1ccc(cc1CNCCCF)Br 34a_100000730032_100011934791 [0,2,0,0,0,0|2,0,0]=4 21372 B14R1.218 Oc1ccc(cc1CNCCCF)Cl 34a_100000238540_100011934791 [0,2,0,0,0,0|2,0,0]=4 21373 B14R1.218 Oc1ccc(cc1CNCCCF)F 34a_100015189416_100010161318 [0,2,0,0,0,0|2,0,0]=4 21374 B14R1.218 Oc1ccc(cc1COCCCBr)F 34a_100011217188_100010161318 [0,2,0,0,0,0|2,0,0]=4 21375 B14R1.218 Oc1ccc(cc1COCCCCl)F 34a_100000230001_100010161318 [0,2,0,0,0,0|2,0,0]=4 21376 B14R1.218 Oc1ccc(cc1COCCCF)F 34a_100000759539_100010161318 [0,2,0,0,0,0|2,0,0]=4 21377 B14R1.218 Oc1ccc(cc1CSCCCF)F 62a_100010161318_100011934791 [0,2,0,0,0,0|2,0,0]=4 21378 B14R1.218 Oc1ccc(cc1CSCCCF)F 62a_100011934791_100010161318 [0,2,0,0,0,0|2,0,0]=4 21379 B14R1.218 Oc1ccc(cc1NCCCCF)Br 34a_100000752626_100000729493 [0,2,0,0,0,0|2,0,0]=4 21380 B14R1.218 Oc1ccc(cc1NCCCCF)Cl 34a_100000210500_100000729493 [0,2,0,0,0,0|2,0,0]=4 21381 B14R1.218 Oc1ccc(cc1NCCCCF)F 34a_100000759472_100000729493 [0,2,0,0,0,0|2,0,0]=4 21382 B14R1.218 Oc1ccc(cc1SCCCCF)Br 62a_100000729493_100012355227 [0,2,0,0,0,0|2,0,0]=4 21383 B14R1.218 Oc1ccc(cc1SCCCCF)Br 62a_100012355227_100000729493 [0,2,0,0,0,0|2,0,0]=4 21384 B14R1.218 Oc1ccc(cc1SCCCCF)Cl 62a_100000729493_100011356953 [0,2,0,0,0,0|2,0,0]=4 21385 B14R1.218 Oc1ccc(cc1SCCCCF)Cl 62a_100011356953_100000729493 [0,2,0,0,0,0|2,0,0]=4 21386 B14R1.218 Oc1ccc(cc1SCCCCF)F 62a_100000211999_100000729493 [0,2,0,0,0,0|2,0,0]=4 21387 B14R1.218 Oc1ccc(cc1SCCCCF)F 62a_100000729493_100000211999 [0,2,0,0,0,0|2,0,0]=4 21388 B14R1.228 C#Cc1cccc(c1)CNCCCC 207a_100000102301_100011361529 [0,2,0,0,0,0|2,0,0]=4 21389 B14R1.228 C#Cc1cccc(c1)CNCCCF 207a_100015189416_100011361529 [0,2,0,0,0,0|2,0,0]=4 21390 B14R1.228 C#Cc1cccc(c1)CNCCCO 207a_100000182051_100011361529 [0,2,0,0,0,0|1,0,0]=3 21391 B14R1.228 C#Cc1cccc(c1)COCCCC 34a_100010272118_100000210210 [0,2,0,0,0,0|2,0,0]=4 21392 B14R1.228 C#Cc1cccc(c1)COCCCC 7a_100010272118_100000210211 [0,2,0,0,0,0|2,0,0]=4 21393 B14R1.228 C#Cc1cccc(c1)COCCCF 34a_100010272118_100011934791 [0,2,0,0,0,0|2,0,0]=4 21394 B14R1.228 C#Cc1cccc(c1)COCCCF 7a_100010272118_100011934791 [0,2,0,0,0,0|2,0,0]=4 21395 B14R1.228 C#Cc1cccc(c1)COCCCO 34a_100010272118_100000230001 [0,2,0,0,0,0|1,0,0]=3 21396 B14R1.228 C#Cc1cccc(c1)COCCCO 7a_100010272118_100011215043 [0,2,0,0,0,0|1,0,0]=3 21397 B14R1.228 C#Cc1cccc(c1)NCCCCC 2230a_100000735509_100000210326 [0,2,0,0,0,0|2,0,0]=4 21398 B14R1.228 C#Cc1cccc(c1)NCCCCC 34a_100000735509_100000718602 [0,2,0,0,0,0|2,0,0]=4 21399 B14R1.228 C#Cc1cccc(c1)NCCCCF 2230a_100000735509_100000729493 [0,2,0,0,0,0|2,0,0]=4 21400 B14R1.228 C#Cc1cccc(c1)NCCCCF 34a_100000735509_100000729493 [0,2,0,0,0,0|2,0,0]=4 21401 B14R1.228 C#Cc1cccc(c1)NCCCCO 2230a_100000735509_100000210776 [0,2,0,0,0,0|1,0,0]=3 21402 B14R1.228 C#Cc1cccc(c1)NCCCCO 34a_100000735509_100011216708 [0,2,0,0,0,0|1,0,0]=3 21403 B14R1.228 C#Cc1cccc(c1)OCCCCC 34a_100011216014_100000718602 [0,2,0,0,0,0|2,0,0]=4 21404 B14R1.228 C#Cc1cccc(c1)OCCCCC 7a_100011216014_100000210326 [0,2,0,0,0,0|2,0,0]=4 21405 B14R1.228 C#Cc1cccc(c1)OCCCCF 34a_100011216014_100000729493 [0,2,0,0,0,0|2,0,0]=4 21406 B14R1.228 C#Cc1cccc(c1)OCCCCF 7a_100011216014_100000729493 [0,2,0,0,0,0|2,0,0]=4 21407 B14R1.228 C#Cc1cccc(c1)OCCCCO 34a_100011216014_100011216708 [0,2,0,0,0,0|1,0,0]=3 21408 B14R1.228 C#Cc1cccc(c1)OCCCCO 7a_100011216014_100000210776 [0,2,0,0,0,0|1,0,0]=3 21409 B14R1.228 C#Cc1cncc(c1)CNCCCO 270004a_100000182051_200012002314 [0,2,0,0,0,0|2,0,0]=4 21410 B14R1.228 C=Cc1cc(ccn1)SCCCCO 62a_100000210776_100009845566 [0,2,0,0,0,0|2,0,0]=4 21411 B14R1.228 C=Cc1cc(ccn1)SCCCCO 62a_100009845566_100000210776 [0,2,0,0,0,0|2,0,0]=4 21412 B14R1.228 C=Cc1cccc(c1)CCCCCC 271570a_100011290941_100009816010 [0,2,0,0,0,0|1,0,0]=3 21413 B14R1.228 C=Cc1cccc(c1)CNCCCC 270004a_100000102301_100011218069 [0,2,0,0,0,0|2,0,0]=4 21414 B14R1.228 C=Cc1cccc(c1)CNCCCC 271570a_100011290941_100015186518 [0,2,0,0,0,0|2,0,0]=4 21415 B14R1.228 C=Cc1cccc(c1)CNCCCF 270004a_100015189416_100011218069 [0,2,0,0,0,0|2,0,0]=4 21416 B14R1.228 C=Cc1cccc(c1)CNCCCO 270004a_100000182051_100011218069 [0,2,0,0,0,0|1,0,0]=3 21417 B14R1.228 C=Cc1cccc(c1)NCCCCC 34a_100011827668_100000718602 [0,2,0,0,0,0|2,0,0]=4 21418 B14R1.228 C=Cc1cccc(c1)NCCCCF 34a_100011827668_100000729493 [0,2,0,0,0,0|2,0,0]=4 21419 B14R1.228 C=Cc1cccc(c1)NCCCCO 34a_100011827668_100011216708 [0,2,0,0,0,0|1,0,0]=3 21420 B14R1.228 C=Cc1cccc(c1)OCCCCC 34a_100011309434_100000718602 [0,2,0,0,0,0|2,0,0]=4 21421 B14R1.228 C=Cc1cccc(c1)OCCCCC 7a_100011309434_100000210326 [0,2,0,0,0,0|2,0,0]=4 21422 B14R1.228 C=Cc1cccc(c1)OCCCCF 34a_100011309434_100000729493 [0,2,0,0,0,0|2,0,0]=4 21423 B14R1.228 C=Cc1cccc(c1)OCCCCF 7a_100011309434_100000729493 [0,2,0,0,0,0|2,0,0]=4 21424 B14R1.228 C=Cc1cccc(c1)OCCCCO 34a_100011309434_100011216708 [0,2,0,0,0,0|1,0,0]=3 21425 B14R1.228 C=Cc1cccc(c1)OCCCCO 7a_100011309434_100000210776 [0,2,0,0,0,0|1,0,0]=3 21426 B14R1.228 C=Cc1cccc(c1)SCCCCC 62a_100000210326_100011215241 [0,2,0,0,0,0|2,0,0]=4 21427 B14R1.228 C=Cc1cccc(c1)SCCCCC 62a_100011215241_100000210326 [0,2,0,0,0,0|2,0,0]=4 21428 B14R1.228 C=Cc1cccc(c1)SCCCCF 62a_100000729493_100011215241 [0,2,0,0,0,0|2,0,0]=4 21429 B14R1.228 C=Cc1cccc(c1)SCCCCF 62a_100011215241_100000729493 [0,2,0,0,0,0|2,0,0]=4 21430 B14R1.228 C=Cc1cccc(c1)SCCCCO 62a_100000210776_100011215241 [0,2,0,0,0,0|1,0,0]=3 21431 B14R1.228 C=Cc1cccc(c1)SCCCCO 62a_100011215241_100000210776 [0,2,0,0,0,0|1,0,0]=3 21432 B14R1.228 C=Cc1cncc(c1)SCCCCO 62a_100000210776_200012180632 [0,2,0,0,0,0|2,0,0]=4 21433 B14R1.228 C=Cc1cncc(c1)SCCCCO 62a_200012180632_100000210776 [0,2,0,0,0,0|2,0,0]=4 21434 B14R1.228 CCCCCCc1cccc(c1)SC 62a_100009816010_200000210301 [0,2,0,0,0,0|1,0,0]=3 21435 B14R1.228 CCCCCCc1cccc(c1)SC 62a_200000210301_100009816010 [0,2,0,0,0,0|1,0,0]=3 21436 B14R1.228 CCCCCCc1cccc(c1)S[13CH3] 62a_100009816010_200025704644 [0,2,0,0,0,0|1,0,0]=3 21437 B14R1.228 CCCCCCc1cccc(c1)S[13CH3] 62a_200025704644_100009816010 [0,2,0,0,0,0|1,0,0]=3 21438 B14R1.228 CCCCCNc1cccc(c1)C#N 34a_100000210922_100000718602 [0,2,0,0,0,0|2,0,0]=4 21439 B14R1.228 CCCCCNc1cccc(c1)C#N 7a_100000210922_100000210326 [0,2,0,0,0,0|2,0,0]=4 21440 B14R1.228 CCCCCNc1cccc(c1)CC 2230a_100000211250_100000210326 [0,2,0,0,0,0|2,0,0]=4 21441 B14R1.228 CCCCCNc1cccc(c1)CC 34a_100000211250_100000718602 [0,2,0,0,0,0|2,0,0]=4 21442 B14R1.228 CCCCCNc1cccc(c1)CC 7a_100000211250_100000210326 [0,2,0,0,0,0|2,0,0]=4 21443 B14R1.228 CCCCCNc1cccc(c1)CF 2230a_100000126320_100000210326 [0,2,0,0,0,0|2,0,0]=4 21444 B14R1.228 CCCCCNc1cccc(c1)CF 34a_100000126320_100000718602 [0,2,0,0,0,0|2,0,0]=4 21445 B14R1.228 CCCCCNc1cccc(c1)CF 7a_100000126320_100000210326 [0,2,0,0,0,0|2,0,0]=4 21446 B14R1.228 CCCCCNc1cccc(c1)CO 2230a_100000211919_100000210326 [0,2,0,0,0,0|2,0,0]=4 21447 B14R1.228 CCCCCNc1cccc(c1)CO 34a_100000211919_100000718602 [0,2,0,0,0,0|2,0,0]=4 21448 B14R1.228 CCCCCNc1cccc(c1)OC 34a_100000210024_100000718602 [0,2,0,0,0,0|2,0,0]=4 21449 B14R1.228 CCCCCNc1cccc(c1)SC 2230a_100000210049_100000210326 [0,2,0,0,0,0|2,0,0]=4 21450 B14R1.228 CCCCCNc1cccc(c1)SC 34a_100000210049_100000718602 [0,2,0,0,0,0|2,0,0]=4 21451 B14R1.228 CCCCCOc1cccc(c1)C#N 34a_100000184713_100000718602 [0,2,0,0,0,0|2,0,0]=4 21452 B14R1.228 CCCCCOc1cccc(c1)C#N 7a_100000184713_100000210326 [0,2,0,0,0,0|2,0,0]=4 21453 B14R1.228 CCCCCOc1cccc(c1)CBr 34a_100011660834_100000718602 [0,2,0,0,0,0|2,0,0]=4 21454 B14R1.228 CCCCCOc1cccc(c1)CBr 7a_100011660834_100000210326 [0,2,0,0,0,0|2,0,0]=4 21455 B14R1.228 CCCCCOc1cccc(c1)CC 34a_100000211550_100000718602 [0,2,0,0,0,0|2,0,0]=4 21456 B14R1.228 CCCCCOc1cccc(c1)CC 7a_100000211550_100000210326 [0,2,0,0,0,0|2,0,0]=4 21457 B14R1.228 CCCCCOc1cccc(c1)CCl 34a_100000084143_100000718602 [0,2,0,0,0,0|2,0,0]=4 21458 B14R1.228 CCCCCOc1cccc(c1)CCl 7a_100000084143_100000210326 [0,2,0,0,0,0|2,0,0]=4 21459 B14R1.228 CCCCCOc1cccc(c1)CN 34a_100000743036_100000718602 [0,2,0,0,0,0|2,0,0]=4 21460 B14R1.228 CCCCCOc1cccc(c1)CO 34a_100011214949_100000718602 [0,2,0,0,0,0|2,0,0]=4 21461 B14R1.228 CCCCCOc1cccc(c1)CO 7a_100011214949_100000210326 [0,2,0,0,0,0|2,0,0]=4 21462 B14R1.228 CCCCCOc1cccc(c1)NC 34a_100000756613_100000718602 [0,2,0,0,0,0|2,0,0]=4 21463 B14R1.228 CCCCCOc1cccc(c1)NC 7a_100000756613_100000210326 [0,2,0,0,0,0|2,0,0]=4 21464 B14R1.228 CCCCCOc1cccc(c1)OC 34a_100000211255_100000718602 [0,2,0,0,0,0|2,0,0]=4 21465 B14R1.228 CCCCCOc1cccc(c1)OC 7a_100000211255_100000210326 [0,2,0,0,0,0|2,0,0]=4 21466 B14R1.228 CCCCCOc1cccc(c1)SC 34a_100011265683_100000718602 [0,2,0,0,0,0|2,0,0]=4 21467 B14R1.228 CCCCCOc1cccc(c1)SC 7a_100011265683_100000210326 [0,2,0,0,0,0|2,0,0]=4 21468 B14R1.228 CCCCCSc1cccc(c1)C#N 62a_100000210326_100000189340 [0,2,0,0,0,0|2,0,0]=4 21469 B14R1.228 CCCCCSc1cccc(c1)C=O 62a_100000014684_100000210326 [0,2,0,0,0,0|2,0,0]=4 21470 B14R1.228 CCCCCSc1cccc(c1)C=O 62a_100000210326_100000014684 [0,2,0,0,0,0|2,0,0]=4 21471 B14R1.228 CCCCCSc1cccc(c1)CC 62a_100000210326_100011263222 [0,2,0,0,0,0|2,0,0]=4 21472 B14R1.228 CCCCCSc1cccc(c1)CC 62a_100011263222_100000210326 [0,2,0,0,0,0|2,0,0]=4 21473 B14R1.228 CCCCCSc1cccc(c1)CF 62a_100000210326_100010878472 [0,2,0,0,0,0|2,0,0]=4 21474 B14R1.228 CCCCCSc1cccc(c1)CF 62a_100010878472_100000210326 [0,2,0,0,0,0|2,0,0]=4 21475 B14R1.228 CCCCCSc1cccc(c1)CN 62a_100000106179_100000210326 [0,2,0,0,0,0|2,0,0]=4 21476 B14R1.228 CCCCCSc1cccc(c1)CN 62a_100000210326_100000106179 [0,2,0,0,0,0|2,0,0]=4 21477 B14R1.228 CCCCCSc1cccc(c1)CO 62a_100000210326_100000687537 [0,2,0,0,0,0|2,0,0]=4 21478 B14R1.228 CCCCCSc1cccc(c1)CO 62a_100000687537_100000210326 [0,2,0,0,0,0|2,0,0]=4 21479 B14R1.228 CCCCCSc1cccc(c1)NC 62a_100000210326_100000219648 [0,2,0,0,0,0|2,0,0]=4 21480 B14R1.228 CCCCCSc1cccc(c1)NC 62a_100000219648_100000210326 [0,2,0,0,0,0|2,0,0]=4 21481 B14R1.228 CCCCCSc1cccc(c1)NN 62a_100000210326_100000217339 [0,2,0,0,0,0|2,0,0]=4 21482 B14R1.228 CCCCCSc1cccc(c1)NN 62a_100000217339_100000210326 [0,2,0,0,0,0|2,0,0]=4 21483 B14R1.228 CCCCCSc1cccc(c1)OC 62a_100000210326_100000170001 [0,2,0,0,0,0|2,0,0]=4 21484 B14R1.228 CCCCCSc1cccc(c1)SC 62a_100000210326_100011215954 [0,2,0,0,0,0|2,0,0]=4 21485 B14R1.228 CCCCCSc1cccc(c1)SC 62a_100011215954_100000210326 [0,2,0,0,0,0|2,0,0]=4 21486 B14R1.228 CCCCNCc1cccc(c1)C#N 207a_100000102301_100000241001 [0,2,0,0,0,0|2,0,0]=4 21487 B14R1.228 CCCCNCc1cccc(c1)C#N 2230a_100000102301_100000233786 [0,2,0,0,0,0|2,0,0]=4 21488 B14R1.228 CCCCNCc1cccc(c1)C#N 270004a_100000102301_100000241001 [0,2,0,0,0,0|2,0,0]=4 21489 B14R1.228 CCCCNCc1cccc(c1)C#N 34a_100000755147_100000210210 [0,2,0,0,0,0|2,0,0]=4 21490 B14R1.228 CCCCNCc1cccc(c1)C#N 7a_106832991798_100000233786 [0,2,0,0,0,0|2,0,0]=4 21491 B14R1.228 CCCCNCc1cccc(c1)C=O 2230a_100000102301_100009816774 [0,2,0,0,0,0|2,0,0]=4 21492 B14R1.228 CCCCNCc1cccc(c1)C=O 7a_106832991798_100009816774 [0,2,0,0,0,0|2,0,0]=4 21493 B14R1.228 CCCCNCc1cccc(c1)CC 207a_100000102301_100011999841 [0,2,0,0,0,0|2,0,0]=4 21494 B14R1.228 CCCCNCc1cccc(c1)CC 270004a_100000102301_100011999841 [0,2,0,0,0,0|2,0,0]=4 21495 B14R1.228 CCCCNCc1cccc(c1)CO 207a_100000102301_200000050894 [0,2,0,0,0,0|2,0,0]=4 21496 B14R1.228 CCCCNCc1cccc(c1)CO 2230a_100000102301_100010188025 [0,2,0,0,0,0|2,0,0]=4 21497 B14R1.228 CCCCNCc1cccc(c1)CO 2230a_100011269909_100000210211 [0,2,0,0,0,0|2,0,0]=4 21498 B14R1.228 CCCCNCc1cccc(c1)CO 270004a_100000102301_200000050894 [0,2,0,0,0,0|2,0,0]=4 21499 B14R1.228 CCCCNCc1cccc(c1)CO 34a_100011269909_100000210210 [0,2,0,0,0,0|2,0,0]=4 21500 B14R1.228 CCCCNCc1cccc(c1)CO 7a_106832991798_100010188025 [0,2,0,0,0,0|2,0,0]=4 21501 B14R1.228 CCCCNCc1cccc(c1)OC 207a_100000102301_100000170238 [0,2,0,0,0,0|2,0,0]=4 21502 B14R1.228 CCCCNCc1cccc(c1)OC 2230a_100000102301_100000211672 [0,2,0,0,0,0|2,0,0]=4 21503 B14R1.228 CCCCNCc1cccc(c1)OC 2230a_100000174954_100000210211 [0,2,0,0,0,0|2,0,0]=4 21504 B14R1.228 CCCCNCc1cccc(c1)OC 270004a_100000102301_100000170238 [0,2,0,0,0,0|2,0,0]=4 21505 B14R1.228 CCCCNCc1cccc(c1)OC 34a_100000174954_100000210210 [0,2,0,0,0,0|2,0,0]=4 21506 B14R1.228 CCCCNCc1cccc(c1)OC 7a_106832991798_100000211672 [0,2,0,0,0,0|2,0,0]=4 21507 B14R1.228 CCCCNCc1cccc(c1)SC 207a_100000102301_100011935093 [0,2,0,0,0,0|2,0,0]=4 21508 B14R1.228 CCCCNCc1cccc(c1)SC 270004a_100000102301_100011935093 [0,2,0,0,0,0|2,0,0]=4 21509 B14R1.228 CCCCNCc1cccc(c1)SC 62a_100015186518_200000210301 [0,2,0,0,0,0|2,0,0]=4 21510 B14R1.228 CCCCNCc1cccc(c1)SC 62a_200000210301_100015186518 [0,2,0,0,0,0|2,0,0]=4 21511 B14R1.228 CCCCNCc1cccc(c1)S[13CH3] 62a_100015186518_200025704644 [0,2,0,0,0,0|2,0,0]=4 21512 B14R1.228 CCCCNCc1cccc(c1)S[13CH3] 62a_200025704644_100015186518 [0,2,0,0,0,0|2,0,0]=4 21513 B14R1.228 CCCCOCc1cccc(c1)C#N 34a_100000210227_100000233786 [0,2,0,0,0,0|2,0,0]=4 21514 B14R1.228 CCCCOCc1cccc(c1)C#N 34a_100000753308_100000210210 [0,2,0,0,0,0|2,0,0]=4 21515 B14R1.228 CCCCOCc1cccc(c1)C#N 7a_100000210227_100000233786 [0,2,0,0,0,0|2,0,0]=4 21516 B14R1.228 CCCCOCc1cccc(c1)C#N 7a_100000753308_100000210211 [0,2,0,0,0,0|2,0,0]=4 21517 B14R1.228 CCCCOCc1cccc(c1)C=O 34a_100000210227_100009816774 [0,2,0,0,0,0|2,0,0]=4 21518 B14R1.228 CCCCOCc1cccc(c1)C=O 7a_100000210227_100009816774 [0,2,0,0,0,0|2,0,0]=4 21519 B14R1.228 CCCCOCc1cccc(c1)CBr 34a_100010188025_100000210210 [0,2,0,0,0,0|2,0,0]=4 21520 B14R1.228 CCCCOCc1cccc(c1)CBr 7a_100010188025_100000210211 [0,2,0,0,0,0|2,0,0]=4 21521 B14R1.228 CCCCOCc1cccc(c1)CCl 34a_200000090956_100000210210 [0,2,0,0,0,0|2,0,0]=4 21522 B14R1.228 CCCCOCc1cccc(c1)CCl 7a_200000090956_100000210211 [0,2,0,0,0,0|2,0,0]=4 21523 B14R1.228 CCCCOCc1cccc(c1)CN 34a_100011269909_100000210210 [0,2,0,0,0,0|2,0,0]=4 21524 B14R1.228 CCCCOCc1cccc(c1)CO 34a_100000210227_100010188025 [0,2,0,0,0,0|2,0,0]=4 21525 B14R1.228 CCCCOCc1cccc(c1)CO 7a_100000210227_100010188025 [0,2,0,0,0,0|2,0,0]=4 21526 B14R1.228 CCCCOCc1cccc(c1)OC 34a_100000198976_100000210210 [0,2,0,0,0,0|2,0,0]=4 21527 B14R1.228 CCCCOCc1cccc(c1)OC 34a_100000210227_100000688526 [0,2,0,0,0,0|2,0,0]=4 21528 B14R1.228 CCCCOCc1cccc(c1)OC 7a_100000210227_100000211672 [0,2,0,0,0,0|2,0,0]=4 21529 B14R1.228 CCCCSCc1cccc(c1)C#N 62a_100000210211_100000233786 [0,2,0,0,0,0|2,0,0]=4 21530 B14R1.228 CCCCSCc1cccc(c1)C=O 62a_100000210211_100009816774 [0,2,0,0,0,0|2,0,0]=4 21531 B14R1.228 CCCCSCc1cccc(c1)C=O 62a_100009816774_100000210210 [0,2,0,0,0,0|2,0,0]=4 21532 B14R1.228 CCCCSCc1cccc(c1)CO 62a_100000210211_100010188025 [0,2,0,0,0,0|2,0,0]=4 21533 B14R1.228 CCCCSCc1cccc(c1)CO 62a_100010188025_100000210210 [0,2,0,0,0,0|2,0,0]=4 21534 B14R1.228 CCCCSCc1cccc(c1)OC 62a_100000210211_100000211672 [0,2,0,0,0,0|2,0,0]=4 21535 B14R1.228 CCCCSCc1cccc(c1)OC 62a_100000688526_100000210210 [0,2,0,0,0,0|2,0,0]=4 21536 B14R1.228 CCCNCCc1cccc(c1)OC 2230a_100000740386_100000210303 [0,2,0,0,0,0|2,0,0]=4 21537 B14R1.228 CCCNCCc1cccc(c1)OC 34a_100000740386_100000210303 [0,2,0,0,0,0|2,0,0]=4 21538 B14R1.228 CCCOCCc1cccc(c1)C#N 34a_100012001419_100000210303 [0,2,0,0,0,0|2,0,0]=4 21539 B14R1.228 CCCOCCc1cccc(c1)C#N 7a_100012001419_100000210303 [0,2,0,0,0,0|2,0,0]=4 21540 B14R1.228 CCCOCCc1cccc(c1)OC 34a_100000210258_100011713679 [0,2,0,0,0,0|2,0,0]=4 21541 B14R1.228 CCCOCCc1cccc(c1)OC 34a_100011215300_100000210303 [0,2,0,0,0,0|2,0,0]=4 21542 B14R1.228 CCCOCCc1cccc(c1)OC 7a_100011215300_100000210303 [0,2,0,0,0,0|2,0,0]=4 21543 B14R1.228 CCCSCCc1cccc(c1)OC 62a_100000210303_100011713679 [0,2,0,0,0,0|2,0,0]=4 21544 B14R1.228 CCCSCCc1cccc(c1)OC 62a_100011713679_100000210303 [0,2,0,0,0,0|2,0,0]=4 21545 B14R1.228 CCNCCCc1cccc(c1)OC 2230a_100000750448_100000210202 [0,2,0,0,0,0|2,0,0]=4 21546 B14R1.228 CCNCCCc1cccc(c1)OC 34a_100000750448_100000210202 [0,2,0,0,0,0|2,0,0]=4 21547 B14R1.228 CCOCCCc1cccc(c1)OC 34a_100000760512_100000210202 [0,2,0,0,0,0|2,0,0]=4 21548 B14R1.228 CCOCCCc1cccc(c1)OC 7a_100000760512_100000210202 [0,2,0,0,0,0|2,0,0]=4 21549 B14R1.228 CC[n+]1cccc(c1)OCCCCO 34a_100000731997_100011216708 [0,2,0,0,0,0|2,0,0]=4 21550 B14R1.228 CC[n+]1cccc(c1)OCCCCO 7a_100000731997_100000210776 [0,2,0,0,0,0|2,0,0]=4 21551 B14R1.228 CCc1cc(ccn1)NCCCCO 27a_100000750430_100009820011 [0,2,0,0,0,0|2,0,0]=4 21552 B14R1.228 CCc1cc(ccn1)SCCCCO 62a_100000210776_100009820011 [0,2,0,0,0,0|2,0,0]=4 21553 B14R1.228 CCc1cc(ccn1)SCCCCO 62a_100009820011_100000210776 [0,2,0,0,0,0|2,0,0]=4 21554 B14R1.228 CCc1cccc(c1)CNCCCF 207a_100015189416_100011999841 [0,2,0,0,0,0|2,0,0]=4 21555 B14R1.228 CCc1cccc(c1)CNCCCF 270004a_100015189416_100011999841 [0,2,0,0,0,0|2,0,0]=4 21556 B14R1.228 CCc1cccc(c1)CNCCCO 207a_100000182051_100011999841 [0,2,0,0,0,0|1,0,0]=3 21557 B14R1.228 CCc1cccc(c1)CNCCCO 270004a_100000182051_100011999841 [0,2,0,0,0,0|1,0,0]=3 21558 B14R1.228 CCc1cccc(c1)NCCCCF 2230a_100000211250_100000729493 [0,2,0,0,0,0|2,0,0]=4 21559 B14R1.228 CCc1cccc(c1)NCCCCF 34a_100000211250_100000729493 [0,2,0,0,0,0|2,0,0]=4 21560 B14R1.228 CCc1cccc(c1)NCCCCF 7a_100000211250_100000729493 [0,2,0,0,0,0|2,0,0]=4 21561 B14R1.228 CCc1cccc(c1)NCCCCO 2230a_100000211250_100000210776 [0,2,0,0,0,0|1,0,0]=3 21562 B14R1.228 CCc1cccc(c1)NCCCCO 34a_100000211250_100011216708 [0,2,0,0,0,0|1,0,0]=3 21563 B14R1.228 CCc1cccc(c1)NCCCCO 7a_100000211250_100000210776 [0,2,0,0,0,0|1,0,0]=3 21564 B14R1.228 CCc1cccc(c1)OCCCCF 34a_100000211550_100000729493 [0,2,0,0,0,0|2,0,0]=4 21565 B14R1.228 CCc1cccc(c1)OCCCCF 7a_100000211550_100000729493 [0,2,0,0,0,0|2,0,0]=4 21566 B14R1.228 CCc1cccc(c1)OCCCCO 34a_100000211550_100011216708 [0,2,0,0,0,0|1,0,0]=3 21567 B14R1.228 CCc1cccc(c1)OCCCCO 7a_100000211550_100000210776 [0,2,0,0,0,0|1,0,0]=3 21568 B14R1.228 CCc1cccc(c1)SCCCCF 62a_100000729493_100011263222 [0,2,0,0,0,0|2,0,0]=4 21569 B14R1.228 CCc1cccc(c1)SCCCCF 62a_100011263222_100000729493 [0,2,0,0,0,0|2,0,0]=4 21570 B14R1.228 CCc1cccc(c1)SCCCCO 62a_100000210776_100011263222 [0,2,0,0,0,0|1,0,0]=3 21571 B14R1.228 CCc1cccc(c1)SCCCCO 62a_100011263222_100000210776 [0,2,0,0,0,0|1,0,0]=3 21572 B14R1.228 CCc1cccc(n1)SCCCCO 62a_100000210776_100009856026 [0,2,0,0,0,0|2,0,0]=4 21573 B14R1.228 CCc1cccc(n1)SCCCCO 62a_100009856026_100000210776 [0,2,0,0,0,0|2,0,0]=4 21574 B14R1.228 CCc1ccnc(c1)NCCCCO 27a_100000750430_100009817561 [0,2,0,0,0,0|2,0,0]=4 21575 B14R1.228 CCc1ccnc(c1)SCCCCO 62a_100000210776_100009817561 [0,2,0,0,0,0|2,0,0]=4 21576 B14R1.228 CCc1ccnc(c1)SCCCCO 62a_100009817561_100000210776 [0,2,0,0,0,0|2,0,0]=4 21577 B14R1.228 CCc1cncc(c1)OCCCCO 34a_200009861530_100011216708 [0,2,0,0,0,0|2,0,0]=4 21578 B14R1.228 CCc1cncc(c1)OCCCCO 7a_200009861530_100000210776 [0,2,0,0,0,0|2,0,0]=4 21579 B14R1.228 CCc1cncc(c1)SCCCCO 62a_100000210776_200009819073 [0,2,0,0,0,0|2,0,0]=4 21580 B14R1.228 CCc1cncc(c1)SCCCCO 62a_200009819073_100000210776 [0,2,0,0,0,0|2,0,0]=4 21581 B14R1.228 CNc1cc(ccn1)SCCCCO 62a_100000210776_100009819592 [0,2,0,0,0,0|2,0,0]=4 21582 B14R1.228 CNc1cc(ccn1)SCCCCO 62a_100009819592_100000210776 [0,2,0,0,0,0|2,0,0]=4 21583 B14R1.228 CNc1cccc(c1)OCCCCF 34a_100000756613_100000729493 [0,2,0,0,0,0|2,0,0]=4 21584 B14R1.228 CNc1cccc(c1)OCCCCF 7a_100000756613_100000729493 [0,2,0,0,0,0|2,0,0]=4 21585 B14R1.228 CNc1cccc(c1)OCCCCO 34a_100000756613_100011216708 [0,2,0,0,0,0|1,0,0]=3 21586 B14R1.228 CNc1cccc(c1)OCCCCO 7a_100000756613_100000210776 [0,2,0,0,0,0|1,0,0]=3 21587 B14R1.228 CNc1cccc(c1)SCCCCF 62a_100000219648_100000729493 [0,2,0,0,0,0|2,0,0]=4 21588 B14R1.228 CNc1cccc(c1)SCCCCF 62a_100000729493_100000219648 [0,2,0,0,0,0|2,0,0]=4 21589 B14R1.228 CNc1cccc(c1)SCCCCO 62a_100000210776_100000219648 [0,2,0,0,0,0|1,0,0]=3 21590 B14R1.228 CNc1cccc(c1)SCCCCO 62a_100000219648_100000210776 [0,2,0,0,0,0|1,0,0]=3 21591 B14R1.228 CNc1cccc(n1)SCCCCO 62a_100000210776_100000703281 [0,2,0,0,0,0|2,0,0]=4 21592 B14R1.228 CNc1cccc(n1)SCCCCO 62a_100000703281_100000210776 [0,2,0,0,0,0|2,0,0]=4 21593 B14R1.228 CNc1ccnc(c1)SCCCCO 62a_100000210776_100009869472 [0,2,0,0,0,0|2,0,0]=4 21594 B14R1.228 CNc1ccnc(c1)SCCCCO 62a_100009869472_100000210776 [0,2,0,0,0,0|2,0,0]=4 21595 B14R1.228 CNc1cncc(c1)SCCCCO 62a_100000210776_100012184536 [0,2,0,0,0,0|2,0,0]=4 21596 B14R1.228 CNc1cncc(c1)SCCCCO 62a_100012184536_100000210776 [0,2,0,0,0,0|2,0,0]=4 21597 B14R1.228 COc1cc(ccn1)CNCCCO 207a_100000182051_100000050969 [0,2,0,0,0,0|2,0,0]=4 21598 B14R1.228 COc1cc(ccn1)CNCCCO 270004a_100000182051_100000050969 [0,2,0,0,0,0|2,0,0]=4 21599 B14R1.228 COc1cc(ccn1)CSCCCO 62a_100011215043_100103152439 [0,2,0,0,0,0|2,0,0]=4 21600 B14R1.228 COc1cc(ccn1)CSCCCO 62a_100103152439_100011215043 [0,2,0,0,0,0|2,0,0]=4 21601 B14R1.228 COc1cc(ccn1)OCCCCO 34a_100012181050_100011216708 [0,2,0,0,0,0|2,0,0]=4 21602 B14R1.228 COc1cc(ccn1)SCCCCO 62a_100000117307_100000210776 [0,2,0,0,0,0|2,0,0]=4 21603 B14R1.228 COc1cc(ccn1)SCCCCO 62a_100000210776_100000117307 [0,2,0,0,0,0|2,0,0]=4 21604 B14R1.228 COc1cccc(c1)CCCNCF 34a_100000750448_100015361967 [0,2,0,0,0,0|2,0,0]=4 21605 B14R1.228 COc1cccc(c1)CCCOCF 34a_100000760512_100015361967 [0,2,0,0,0,0|2,0,0]=4 21606 B14R1.228 COc1cccc(c1)CCCOCF 7a_100000760512_100015361967 [0,2,0,0,0,0|2,0,0]=4 21607 B14R1.228 COc1cccc(c1)CCNCCF 2230a_100000740386_100011217306 [0,2,0,0,0,0|2,0,0]=4 21608 B14R1.228 COc1cccc(c1)CCNCCF 34a_100000724931_100011713679 [0,2,0,0,0,0|2,0,0]=4 21609 B14R1.228 COc1cccc(c1)CCNCCF 34a_100000740386_100011217306 [0,2,0,0,0,0|2,0,0]=4 21610 B14R1.228 COc1cccc(c1)CCNCCO 2230a_100000740386_100000211926 [0,2,0,0,0,0|1,0,0]=3 21611 B14R1.228 COc1cccc(c1)CCNCCO 2230a_100016997473_100011713679 [0,2,0,0,0,0|1,0,0]=3 21612 B14R1.228 COc1cccc(c1)CCNCCO 34a_100000740386_100000211926 [0,2,0,0,0,0|1,0,0]=3 21613 B14R1.228 COc1cccc(c1)CCNCCO 34a_100016990907_100011713679 [0,2,0,0,0,0|1,0,0]=3 21614 B14R1.228 COc1cccc(c1)CCOCCBr 34a_100000211926_100011713679 [0,2,0,0,0,0|2,0,0]=4 21615 B14R1.228 COc1cccc(c1)CCOCCF 34a_100011215300_100011217306 [0,2,0,0,0,0|2,0,0]=4 21616 B14R1.228 COc1cccc(c1)CCOCCF 7a_100011215300_100011217306 [0,2,0,0,0,0|2,0,0]=4 21617 B14R1.228 COc1cccc(c1)CCOCCN 34a_100000210304_100011713679 [0,2,0,0,0,0|2,0,0]=4 21618 B14R1.228 COc1cccc(c1)CCOCCO 34a_100011215300_100000211926 [0,2,0,0,0,0|1,0,0]=3 21619 B14R1.228 COc1cccc(c1)CCOCCO 7a_100011215300_100000211926 [0,2,0,0,0,0|1,0,0]=3 21620 B14R1.228 COc1cccc(c1)CCSCCF 62a_100011217306_100011713679 [0,2,0,0,0,0|2,0,0]=4 21621 B14R1.228 COc1cccc(c1)CCSCCF 62a_100011713679_100011217306 [0,2,0,0,0,0|2,0,0]=4 21622 B14R1.228 COc1cccc(c1)CCSCCO 62a_100000211926_100011713679 [0,2,0,0,0,0|1,0,0]=3 21623 B14R1.228 COc1cccc(c1)CCSCCO 62a_100011713679_100000211926 [0,2,0,0,0,0|1,0,0]=3 21624 B14R1.228 COc1cccc(c1)CNCCCF 207a_100015189416_100000170238 [0,2,0,0,0,0|2,0,0]=4 21625 B14R1.228 COc1cccc(c1)CNCCCF 2230a_100000174954_100011934791 [0,2,0,0,0,0|2,0,0]=4 21626 B14R1.228 COc1cccc(c1)CNCCCF 2230a_100015189416_100000211672 [0,2,0,0,0,0|2,0,0]=4 21627 B14R1.228 COc1cccc(c1)CNCCCF 270004a_100015189416_100000170238 [0,2,0,0,0,0|2,0,0]=4 21628 B14R1.228 COc1cccc(c1)CNCCCF 34a_100000174954_100011934791 [0,2,0,0,0,0|2,0,0]=4 21629 B14R1.228 COc1cccc(c1)CNCCCF 34a_100015189416_100000688526 [0,2,0,0,0,0|2,0,0]=4 21630 B14R1.228 COc1cccc(c1)CNCCCO 207a_100000182051_100000170238 [0,2,0,0,0,0|1,0,0]=3 21631 B14R1.228 COc1cccc(c1)CNCCCO 2230a_100000174954_100000230001 [0,2,0,0,0,0|1,0,0]=3 21632 B14R1.228 COc1cccc(c1)CNCCCO 270004a_100000182051_100000170238 [0,2,0,0,0,0|1,0,0]=3 21633 B14R1.228 COc1cccc(c1)CNCCCO 34a_100000174954_100000230001 [0,2,0,0,0,0|1,0,0]=3 21634 B14R1.228 COc1cccc(c1)COCCCBr 34a_100011217188_100000688526 [0,2,0,0,0,0|2,0,0]=4 21635 B14R1.228 COc1cccc(c1)COCCCCl 34a_100000230001_100000688526 [0,2,0,0,0,0|2,0,0]=4 21636 B14R1.228 COc1cccc(c1)COCCCF 34a_100000198976_100011934791 [0,2,0,0,0,0|2,0,0]=4 21637 B14R1.228 COc1cccc(c1)COCCCF 34a_100000759539_100000688526 [0,2,0,0,0,0|2,0,0]=4 21638 B14R1.228 COc1cccc(c1)COCCCN 34a_100000182051_100000688526 [0,2,0,0,0,0|2,0,0]=4 21639 B14R1.228 COc1cccc(c1)COCCCO 34a_100000198976_100000230001 [0,2,0,0,0,0|1,0,0]=3 21640 B14R1.228 COc1cccc(c1)CSCCCF 62a_100000688526_100011934791 [0,2,0,0,0,0|2,0,0]=4 21641 B14R1.228 COc1cccc(c1)CSCCCF 62a_100011934791_100000211672 [0,2,0,0,0,0|2,0,0]=4 21642 B14R1.228 COc1cccc(c1)CSCCCO 62a_100000688526_100011215043 [0,2,0,0,0,0|1,0,0]=3 21643 B14R1.228 COc1cccc(c1)CSCCCO 62a_100011215043_100000211672 [0,2,0,0,0,0|1,0,0]=3 21644 B14R1.228 COc1cccc(c1)NCCCCF 34a_100000210024_100000729493 [0,2,0,0,0,0|2,0,0]=4 21645 B14R1.228 COc1cccc(c1)NCCCCO 34a_100000210024_100011216708 [0,2,0,0,0,0|1,0,0]=3 21646 B14R1.228 COc1cccc(c1)OCCCCF 34a_100000211255_100000729493 [0,2,0,0,0,0|2,0,0]=4 21647 B14R1.228 COc1cccc(c1)OCCCCF 7a_100000211255_100000729493 [0,2,0,0,0,0|2,0,0]=4 21648 B14R1.228 COc1cccc(c1)OCCCCO 34a_100000211255_100011216708 [0,2,0,0,0,0|1,0,0]=3 21649 B14R1.228 COc1cccc(c1)OCCCCO 7a_100000211255_100000210776 [0,2,0,0,0,0|1,0,0]=3 21650 B14R1.228 COc1cccc(c1)SCCCCF 62a_100000729493_100000170001 [0,2,0,0,0,0|2,0,0]=4 21651 B14R1.228 COc1cccc(c1)SCCCCO 62a_100000210776_100000170001 [0,2,0,0,0,0|1,0,0]=3 21652 B14R1.228 COc1cccc(n1)CNCCCO 207a_100000182051_100000694346 [0,2,0,0,0,0|2,0,0]=4 21653 B14R1.228 COc1cccc(n1)CNCCCO 2230a_100000746380_100000230001 [0,2,0,0,0,0|2,0,0]=4 21654 B14R1.228 COc1cccc(n1)CNCCCO 270004a_100000182051_100000694346 [0,2,0,0,0,0|2,0,0]=4 21655 B14R1.228 COc1cccc(n1)CSCCCO 62a_100000755263_100011215043 [0,2,0,0,0,0|2,0,0]=4 21656 B14R1.228 COc1cccc(n1)CSCCCO 62a_100011215043_100000755263 [0,2,0,0,0,0|2,0,0]=4 21657 B14R1.228 COc1cccc(n1)SCCCCO 62a_100000210776_100000760917 [0,2,0,0,0,0|2,0,0]=4 21658 B14R1.228 COc1cccc(n1)SCCCCO 62a_100000760917_100000210776 [0,2,0,0,0,0|2,0,0]=4 21659 B14R1.228 COc1ccnc(c1)CNCCCO 207a_100000182051_100000087537 [0,2,0,0,0,0|2,0,0]=4 21660 B14R1.228 COc1ccnc(c1)CNCCCO 270004a_100000182051_100000087537 [0,2,0,0,0,0|2,0,0]=4 21661 B14R1.228 COc1ccnc(c1)COCCCO 34a_100000749536_100000230001 [0,2,0,0,0,0|2,0,0]=4 21662 B14R1.228 COc1ccnc(c1)CSCCCO 62a_100000752681_100011215043 [0,2,0,0,0,0|2,0,0]=4 21663 B14R1.228 COc1ccnc(c1)CSCCCO 62a_100011215043_100000752681 [0,2,0,0,0,0|2,0,0]=4 21664 B14R1.228 COc1ccnc(c1)SCCCCO 62a_100000210776_100011216251 [0,2,0,0,0,0|2,0,0]=4 21665 B14R1.228 COc1ccnc(c1)SCCCCO 62a_100009817693_100000210776 [0,2,0,0,0,0|2,0,0]=4 21666 B14R1.228 COc1cncc(c1)CNCCCO 207a_100000182051_100011361638 [0,2,0,0,0,0|2,0,0]=4 21667 B14R1.228 COc1cncc(c1)CNCCCO 2230a_100020589029_100000230001 [0,2,0,0,0,0|2,0,0]=4 21668 B14R1.228 COc1cncc(c1)CNCCCO 270004a_100000182051_100011361638 [0,2,0,0,0,0|2,0,0]=4 21669 B14R1.228 COc1cncc(c1)CNCCCO 34a_100020589029_100000230001 [0,2,0,0,0,0|2,0,0]=4 21670 B14R1.228 COc1cncc(c1)COCCCO 34a_100000732071_100000230001 [0,2,0,0,0,0|2,0,0]=4 21671 B14R1.228 COc1cncc(c1)OCCCCO 34a_100000084572_100011216708 [0,2,0,0,0,0|2,0,0]=4 21672 B14R1.228 COc1cncc(c1)OCCCCO 7a_100000084572_100000210776 [0,2,0,0,0,0|2,0,0]=4 21673 B14R1.228 COc1cncc(c1)SCCCCO 62a_100000050176_100000210776 [0,2,0,0,0,0|2,0,0]=4 21674 B14R1.228 COc1cncc(c1)SCCCCO 62a_100000210776_100000050176 [0,2,0,0,0,0|2,0,0]=4 21675 B14R1.228 CSc1cccc(c1)CNCCCF 207a_100015189416_100011935093 [0,2,0,0,0,0|2,0,0]=4 21676 B14R1.228 CSc1cccc(c1)CNCCCF 270004a_100015189416_100011935093 [0,2,0,0,0,0|2,0,0]=4 21677 B14R1.228 CSc1cccc(c1)CNCCCO 207a_100000182051_100011935093 [0,2,0,0,0,0|1,0,0]=3 21678 B14R1.228 CSc1cccc(c1)CNCCCO 270004a_100000182051_100011935093 [0,2,0,0,0,0|1,0,0]=3 21679 B14R1.228 CSc1cccc(c1)NCCCCF 2230a_100000210049_100000729493 [0,2,0,0,0,0|2,0,0]=4 21680 B14R1.228 CSc1cccc(c1)NCCCCF 34a_100000210049_100000729493 [0,2,0,0,0,0|2,0,0]=4 21681 B14R1.228 CSc1cccc(c1)NCCCCO 2230a_100000210049_100000210776 [0,2,0,0,0,0|1,0,0]=3 21682 B14R1.228 CSc1cccc(c1)NCCCCO 34a_100000210049_100011216708 [0,2,0,0,0,0|1,0,0]=3 21683 B14R1.228 CSc1cccc(c1)OCCCCF 34a_100011265683_100000729493 [0,2,0,0,0,0|2,0,0]=4 21684 B14R1.228 CSc1cccc(c1)OCCCCF 7a_100011265683_100000729493 [0,2,0,0,0,0|2,0,0]=4 21685 B14R1.228 CSc1cccc(c1)OCCCCO 34a_100011265683_100011216708 [0,2,0,0,0,0|1,0,0]=3 21686 B14R1.228 CSc1cccc(c1)OCCCCO 7a_100011265683_100000210776 [0,2,0,0,0,0|1,0,0]=3 21687 B14R1.228 CSc1cccc(c1)SCCCCF 62a_100000729493_100011215954 [0,2,0,0,0,0|2,0,0]=4 21688 B14R1.228 CSc1cccc(c1)SCCCCF 62a_100011215954_100000729493 [0,2,0,0,0,0|2,0,0]=4 21689 B14R1.228 CSc1cccc(c1)SCCCCO 62a_100000210776_100011215954 [0,2,0,0,0,0|1,0,0]=3 21690 B14R1.228 CSc1cccc(c1)SCCCCO 62a_100011215954_100000210776 [0,2,0,0,0,0|1,0,0]=3 21691 B14R1.228 CSc1cccc(n1)SCCCCO 62a_100000210776_100011960944 [0,2,0,0,0,0|2,0,0]=4 21692 B14R1.228 CSc1cccc(n1)SCCCCO 62a_100011960944_100000210776 [0,2,0,0,0,0|2,0,0]=4 21693 B14R1.228 CSc1ccnc(c1)SCCCCO 62a_100000210776_100010883326 [0,2,0,0,0,0|2,0,0]=4 21694 B14R1.228 CSc1ccnc(c1)SCCCCO 62a_100010883326_100000210776 [0,2,0,0,0,0|2,0,0]=4 21695 B14R1.228 CSc1cncc(c1)SCCCCO 62a_100000210776_100009816972 [0,2,0,0,0,0|2,0,0]=4 21696 B14R1.228 CSc1cncc(c1)SCCCCO 62a_100009816972_100000210776 [0,2,0,0,0,0|2,0,0]=4 21697 B14R1.228 FCCCCNc1cccc(c1)CF 2230a_100000126320_100000729493 [0,2,0,0,0,0|2,0,0]=4 21698 B14R1.228 FCCCCNc1cccc(c1)CF 34a_100000126320_100000729493 [0,2,0,0,0,0|2,0,0]=4 21699 B14R1.228 FCCCCNc1cccc(c1)CF 7a_100000126320_100000729493 [0,2,0,0,0,0|2,0,0]=4 21700 B14R1.228 FCCCCOc1cccc(c1)CBr 34a_100011660834_100000729493 [0,2,0,0,0,0|2,0,0]=4 21701 B14R1.228 FCCCCOc1cccc(c1)CBr 7a_100011660834_100000729493 [0,2,0,0,0,0|2,0,0]=4 21702 B14R1.228 FCCCCOc1cccc(c1)CCl 34a_100000084143_100000729493 [0,2,0,0,0,0|2,0,0]=4 21703 B14R1.228 FCCCCOc1cccc(c1)CCl 7a_100000084143_100000729493 [0,2,0,0,0,0|2,0,0]=4 21704 B14R1.228 FCCCCSc1cccc(c1)CF 62a_100000729493_100010878472 [0,2,0,0,0,0|2,0,0]=4 21705 B14R1.228 FCCCCSc1cccc(c1)CF 62a_100010878472_100000729493 [0,2,0,0,0,0|2,0,0]=4 21706 B14R1.228 FCCCOCc1cccc(c1)CBr 34a_100010188025_100011934791 [0,2,0,0,0,0|2,0,0]=4 21707 B14R1.228 FCCCOCc1cccc(c1)CBr 7a_100010188025_100011934791 [0,2,0,0,0,0|2,0,0]=4 21708 B14R1.228 FCCCOCc1cccc(c1)CCl 34a_200000090956_100011934791 [0,2,0,0,0,0|2,0,0]=4 21709 B14R1.228 FCCCOCc1cccc(c1)CCl 7a_200000090956_100011934791 [0,2,0,0,0,0|2,0,0]=4 21710 B14R1.228 N#Cc1cc(ccn1)COCCCO 7a_100000767107_100011215043 [0,2,0,0,0,0|2,0,0]=4 21711 B14R1.228 N#Cc1cc(ccn1)NCCCCO 27a_100000750430_100000685610 [0,2,0,0,0,0|2,0,0]=4 21712 B14R1.228 N#Cc1cc(ccn1)OCCCCO 34a_100011777083_100011216708 [0,2,0,0,0,0|2,0,0]=4 21713 B14R1.228 N#Cc1cc(ccn1)OCCCCO 7a_100011777083_100000210776 [0,2,0,0,0,0|2,0,0]=4 21714 B14R1.228 N#Cc1cc(ccn1)SCCCCO 62a_100000210776_100000685610 [0,2,0,0,0,0|2,0,0]=4 21715 B14R1.228 N#Cc1cccc(c1)CCOCCF 34a_100012001419_100011217306 [0,2,0,0,0,0|2,0,0]=4 21716 B14R1.228 N#Cc1cccc(c1)CCOCCF 7a_100012001419_100011217306 [0,2,0,0,0,0|2,0,0]=4 21717 B14R1.228 N#Cc1cccc(c1)CCOCCO 34a_100012001419_100000211926 [0,2,0,0,0,0|1,0,0]=3 21718 B14R1.228 N#Cc1cccc(c1)CCOCCO 7a_100012001419_100000211926 [0,2,0,0,0,0|1,0,0]=3 21719 B14R1.228 N#Cc1cccc(c1)CNCCCF 207a_100015189416_100000241001 [0,2,0,0,0,0|2,0,0]=4 21720 B14R1.228 N#Cc1cccc(c1)CNCCCF 2230a_100015189416_100000233786 [0,2,0,0,0,0|2,0,0]=4 21721 B14R1.228 N#Cc1cccc(c1)CNCCCF 270004a_100015189416_100000241001 [0,2,0,0,0,0|2,0,0]=4 21722 B14R1.228 N#Cc1cccc(c1)CNCCCF 34a_100000755147_100011934791 [0,2,0,0,0,0|2,0,0]=4 21723 B14R1.228 N#Cc1cccc(c1)CNCCCF 34a_100015189416_100000233786 [0,2,0,0,0,0|2,0,0]=4 21724 B14R1.228 N#Cc1cccc(c1)CNCCCO 207a_100000182051_100000241001 [0,2,0,0,0,0|1,0,0]=3 21725 B14R1.228 N#Cc1cccc(c1)CNCCCO 270004a_100000182051_100000241001 [0,2,0,0,0,0|1,0,0]=3 21726 B14R1.228 N#Cc1cccc(c1)CNCCCO 34a_100000755147_100000230001 [0,2,0,0,0,0|1,0,0]=3 21727 B14R1.228 N#Cc1cccc(c1)COCCCBr 34a_100011217188_100000233786 [0,2,0,0,0,0|2,0,0]=4 21728 B14R1.228 N#Cc1cccc(c1)COCCCCl 34a_100000230001_100000233786 [0,2,0,0,0,0|2,0,0]=4 21729 B14R1.228 N#Cc1cccc(c1)COCCCF 34a_100000753308_100011934791 [0,2,0,0,0,0|2,0,0]=4 21730 B14R1.228 N#Cc1cccc(c1)COCCCF 34a_100000759539_100000233786 [0,2,0,0,0,0|2,0,0]=4 21731 B14R1.228 N#Cc1cccc(c1)COCCCF 7a_100000753308_100011934791 [0,2,0,0,0,0|2,0,0]=4 21732 B14R1.228 N#Cc1cccc(c1)COCCCN 34a_100000182051_100000233786 [0,2,0,0,0,0|2,0,0]=4 21733 B14R1.228 N#Cc1cccc(c1)COCCCO 34a_100000753308_100000230001 [0,2,0,0,0,0|1,0,0]=3 21734 B14R1.228 N#Cc1cccc(c1)COCCCO 7a_100000753308_100011215043 [0,2,0,0,0,0|1,0,0]=3 21735 B14R1.228 N#Cc1cccc(c1)CSCCCF 62a_100011934791_100000233786 [0,2,0,0,0,0|2,0,0]=4 21736 B14R1.228 N#Cc1cccc(c1)CSCCCO 62a_100011215043_100000233786 [0,2,0,0,0,0|1,0,0]=3 21737 B14R1.228 N#Cc1cccc(c1)NCCCCF 34a_100000210922_100000729493 [0,2,0,0,0,0|2,0,0]=4 21738 B14R1.228 N#Cc1cccc(c1)NCCCCF 7a_100000210922_100000729493 [0,2,0,0,0,0|2,0,0]=4 21739 B14R1.228 N#Cc1cccc(c1)NCCCCO 34a_100000210922_100011216708 [0,2,0,0,0,0|1,0,0]=3 21740 B14R1.228 N#Cc1cccc(c1)NCCCCO 7a_100000210922_100000210776 [0,2,0,0,0,0|1,0,0]=3 21741 B14R1.228 N#Cc1cccc(c1)OCCCCF 34a_100000184713_100000729493 [0,2,0,0,0,0|2,0,0]=4 21742 B14R1.228 N#Cc1cccc(c1)OCCCCF 7a_100000184713_100000729493 [0,2,0,0,0,0|2,0,0]=4 21743 B14R1.228 N#Cc1cccc(c1)OCCCCO 34a_100000184713_100011216708 [0,2,0,0,0,0|1,0,0]=3 21744 B14R1.228 N#Cc1cccc(c1)OCCCCO 7a_100000184713_100000210776 [0,2,0,0,0,0|1,0,0]=3 21745 B14R1.228 N#Cc1cccc(c1)SCCCCF 62a_100000729493_100000189340 [0,2,0,0,0,0|2,0,0]=4 21746 B14R1.228 N#Cc1cccc(c1)SCCCCO 62a_100000210776_100000189340 [0,2,0,0,0,0|1,0,0]=3 21747 B14R1.228 N#Cc1cccc(n1)COCCCO 7a_200000085287_100011215043 [0,2,0,0,0,0|2,0,0]=4 21748 B14R1.228 N#Cc1cccc(n1)CSCCCO 62a_100011215043_100000097530 [0,2,0,0,0,0|2,0,0]=4 21749 B14R1.228 N#Cc1cccc(n1)NCCCCO 27a_100000750430_100011934037 [0,2,0,0,0,0|2,0,0]=4 21750 B14R1.228 N#Cc1cccc(n1)SCCCCO 62a_100000210776_100011934037 [0,2,0,0,0,0|2,0,0]=4 21751 B14R1.228 N#Cc1ccnc(c1)CNCCCO 270004a_100000182051_100009883299 [0,2,0,0,0,0|2,0,0]=4 21752 B14R1.228 N#Cc1ccnc(c1)NCCCCO 27a_100000750430_100011291639 [0,2,0,0,0,0|2,0,0]=4 21753 B14R1.228 N#Cc1ccnc(c1)SCCCCO 62a_100000210776_100011291639 [0,2,0,0,0,0|2,0,0]=4 21754 B14R1.228 N#Cc1cncc(c1)CNCCCO 207a_100000182051_100011361567 [0,2,0,0,0,0|2,0,0]=4 21755 B14R1.228 N#Cc1cncc(c1)CNCCCO 270004a_100000182051_100011361567 [0,2,0,0,0,0|2,0,0]=4 21756 B14R1.228 N#Cc1cncc(c1)COCCCO 7a_100000085282_100011215043 [0,2,0,0,0,0|2,0,0]=4 21757 B14R1.228 N#Cc1cncc(c1)CSCCCO 62a_100011215043_200020634941 [0,2,0,0,0,0|2,0,0]=4 21758 B14R1.228 N#Cc1cncc(c1)OCCCCO 34a_100012002025_100011216708 [0,2,0,0,0,0|2,0,0]=4 21759 B14R1.228 N#Cc1cncc(c1)OCCCCO 7a_100012002025_100000210776 [0,2,0,0,0,0|2,0,0]=4 21760 B14R1.228 N#Cc1cncc(c1)SCCCCO 62a_100000210776_100000686085 [0,2,0,0,0,0|2,0,0]=4 21761 B14R1.228 NCCCOCc1cccc(c1)C=O 34a_100000182051_100009816774 [0,2,0,0,0,0|2,0,0]=4 21762 B14R1.228 NCCCOCc1cccc(c1)CO 34a_100000182051_100010188025 [0,2,0,0,0,0|2,0,0]=4 21763 B14R1.228 NCc1cc(ccn1)SCCCCO 62a_100000085674_100000210776 [0,2,0,0,0,0|2,0,0]=4 21764 B14R1.228 NCc1cc(ccn1)SCCCCO 62a_100000210776_100000085674 [0,2,0,0,0,0|2,0,0]=4 21765 B14R1.228 NCc1cccc(c1)COCCCF 34a_100011269909_100011934791 [0,2,0,0,0,0|2,0,0]=4 21766 B14R1.228 NCc1cccc(c1)COCCCO 34a_100011269909_100000230001 [0,2,0,0,0,0|1,0,0]=3 21767 B14R1.228 NCc1cccc(c1)OCCCCF 34a_100000743036_100000729493 [0,2,0,0,0,0|2,0,0]=4 21768 B14R1.228 NCc1cccc(c1)OCCCCO 34a_100000743036_100011216708 [0,2,0,0,0,0|1,0,0]=3 21769 B14R1.228 NCc1cccc(c1)SCCCCF 62a_100000106179_100000729493 [0,2,0,0,0,0|2,0,0]=4 21770 B14R1.228 NCc1cccc(c1)SCCCCF 62a_100000729493_100000106179 [0,2,0,0,0,0|2,0,0]=4 21771 B14R1.228 NCc1cccc(c1)SCCCCO 62a_100000106179_100000210776 [0,2,0,0,0,0|1,0,0]=3 21772 B14R1.228 NCc1cccc(c1)SCCCCO 62a_100000210776_100000106179 [0,2,0,0,0,0|1,0,0]=3 21773 B14R1.228 NCc1cccc(n1)SCCCCO 62a_100000210776_100016990191 [0,2,0,0,0,0|2,0,0]=4 21774 B14R1.228 NCc1cccc(n1)SCCCCO 62a_100016990191_100000210776 [0,2,0,0,0,0|2,0,0]=4 21775 B14R1.228 NCc1ccnc(c1)COCCCO 34a_100020589248_100000230001 [0,2,0,0,0,0|2,0,0]=4 21776 B14R1.228 NCc1ccnc(c1)OCCCCO 34a_100000748557_100011216708 [0,2,0,0,0,0|2,0,0]=4 21777 B14R1.228 NCc1ccnc(c1)SCCCCO 62a_100000210776_100025757509 [0,2,0,0,0,0|2,0,0]=4 21778 B14R1.228 NCc1ccnc(c1)SCCCCO 62a_100025757509_100000210776 [0,2,0,0,0,0|2,0,0]=4 21779 B14R1.228 NCc1cncc(c1)SCCCCO 62a_100000210776_100011249555 [0,2,0,0,0,0|2,0,0]=4 21780 B14R1.228 NCc1cncc(c1)SCCCCO 62a_100011249555_100000210776 [0,2,0,0,0,0|2,0,0]=4 21781 B14R1.228 NNc1cc(ccn1)SCCCCO 62a_100000210776_100000764631 [0,2,0,0,0,0|2,0,0]=4 21782 B14R1.228 NNc1cc(ccn1)SCCCCO 62a_100000764631_100000210776 [0,2,0,0,0,0|2,0,0]=4 21783 B14R1.228 NNc1cccc(c1)SCCCCF 62a_100000217339_100000729493 [0,2,0,0,0,0|2,0,0]=4 21784 B14R1.228 NNc1cccc(c1)SCCCCF 62a_100000729493_100000217339 [0,2,0,0,0,0|2,0,0]=4 21785 B14R1.228 NNc1cccc(c1)SCCCCO 62a_100000210776_100000217339 [0,2,0,0,0,0|1,0,0]=3 21786 B14R1.228 NNc1cccc(c1)SCCCCO 62a_100000217339_100000210776 [0,2,0,0,0,0|1,0,0]=3 21787 B14R1.228 NNc1cccc(n1)SCCCCO 62a_100000210776_100009817029 [0,2,0,0,0,0|2,0,0]=4 21788 B14R1.228 NNc1cccc(n1)SCCCCO 62a_100009817029_100000210776 [0,2,0,0,0,0|2,0,0]=4 21789 B14R1.228 NNc1ccnc(c1)SCCCCO 62a_100000089018_100000210776 [0,2,0,0,0,0|2,0,0]=4 21790 B14R1.228 NNc1ccnc(c1)SCCCCO 62a_100000210776_100000089018 [0,2,0,0,0,0|2,0,0]=4 21791 B14R1.228 NNc1cncc(c1)SCCCCO 62a_100000210776_100000727789 [0,2,0,0,0,0|2,0,0]=4 21792 B14R1.228 NNc1cncc(c1)SCCCCO 62a_100000727789_100000210776 [0,2,0,0,0,0|2,0,0]=4 21793 B14R1.228 O=Cc1cc(ccn1)SCCCCO 62a_100000210776_100011998288 [0,2,0,0,0,0|2,0,0]=4 21794 B14R1.228 O=Cc1cc(ccn1)SCCCCO 62a_100011998288_100000210776 [0,2,0,0,0,0|2,0,0]=4 21795 B14R1.228 O=Cc1cccc(c1)CNCCCF 2230a_100015189416_100009816774 [0,2,0,0,0,0|2,0,0]=4 21796 B14R1.228 O=Cc1cccc(c1)CNCCCF 34a_100015189416_100009816774 [0,2,0,0,0,0|2,0,0]=4 21797 B14R1.228 O=Cc1cccc(c1)COCCCBr 34a_100011217188_100009816774 [0,2,0,0,0,0|2,0,0]=4 21798 B14R1.228 O=Cc1cccc(c1)COCCCCl 34a_100000230001_100009816774 [0,2,0,0,0,0|2,0,0]=4 21799 B14R1.228 O=Cc1cccc(c1)COCCCF 34a_100000759539_100009816774 [0,2,0,0,0,0|2,0,0]=4 21800 B14R1.228 O=Cc1cccc(c1)CSCCCF 62a_100009816774_100011934791 [0,2,0,0,0,0|2,0,0]=4 21801 B14R1.228 O=Cc1cccc(c1)CSCCCF 62a_100011934791_100009816774 [0,2,0,0,0,0|2,0,0]=4 21802 B14R1.228 O=Cc1cccc(c1)CSCCCO 62a_100009816774_100011215043 [0,2,0,0,0,0|1,0,0]=3 21803 B14R1.228 O=Cc1cccc(c1)CSCCCO 62a_100011215043_100009816774 [0,2,0,0,0,0|1,0,0]=3 21804 B14R1.228 O=Cc1cccc(c1)SCCCCF 62a_100000014684_100000729493 [0,2,0,0,0,0|2,0,0]=4 21805 B14R1.228 O=Cc1cccc(c1)SCCCCF 62a_100000729493_100000014684 [0,2,0,0,0,0|2,0,0]=4 21806 B14R1.228 O=Cc1cccc(c1)SCCCCO 62a_100000014684_100000210776 [0,2,0,0,0,0|1,0,0]=3 21807 B14R1.228 O=Cc1cccc(c1)SCCCCO 62a_100000210776_100000014684 [0,2,0,0,0,0|1,0,0]=3 21808 B14R1.228 O=Cc1cccc(n1)SCCCCO 62a_100000210776_100000688028 [0,2,0,0,0,0|2,0,0]=4 21809 B14R1.228 O=Cc1cccc(n1)SCCCCO 62a_100000688028_100000210776 [0,2,0,0,0,0|2,0,0]=4 21810 B14R1.228 O=Cc1ccnc(c1)SCCCCO 62a_100000210776_100011290808 [0,2,0,0,0,0|2,0,0]=4 21811 B14R1.228 O=Cc1ccnc(c1)SCCCCO 62a_100011290808_100000210776 [0,2,0,0,0,0|2,0,0]=4 21812 B14R1.228 O=Cc1cncc(c1)SCCCCO 62a_100000210776_100000687066 [0,2,0,0,0,0|2,0,0]=4 21813 B14R1.228 O=Cc1cncc(c1)SCCCCO 62a_100000687066_100000210776 [0,2,0,0,0,0|2,0,0]=4 21814 B14R1.228 OCCCCNc1cccc(c1)CF 2230a_100000126320_100000210776 [0,2,0,0,0,0|1,0,0]=3 21815 B14R1.228 OCCCCNc1cccc(c1)CF 34a_100000126320_100011216708 [0,2,0,0,0,0|1,0,0]=3 21816 B14R1.228 OCCCCNc1cccc(c1)CF 7a_100000126320_100000210776 [0,2,0,0,0,0|1,0,0]=3 21817 B14R1.228 OCCCCNc1cccc(c1)CO 2230a_100000211919_100000210776 [0,2,0,0,0,0|1,0,0]=3 21818 B14R1.228 OCCCCNc1cccc(c1)CO 34a_100000211919_100011216708 [0,2,0,0,0,0|1,0,0]=3 21819 B14R1.228 OCCCCNc1ccnc(c1)CO 27a_100000750430_100000748867 [0,2,0,0,0,0|2,0,0]=4 21820 B14R1.228 OCCCCOc1cccc(c1)CBr 34a_100011660834_100011216708 [0,2,0,0,0,0|1,0,0]=3 21821 B14R1.228 OCCCCOc1cccc(c1)CBr 7a_100011660834_100000210776 [0,2,0,0,0,0|1,0,0]=3 21822 B14R1.228 OCCCCOc1cccc(c1)CCl 34a_100000084143_100011216708 [0,2,0,0,0,0|1,0,0]=3 21823 B14R1.228 OCCCCOc1cccc(c1)CCl 7a_100000084143_100000210776 [0,2,0,0,0,0|1,0,0]=3 21824 B14R1.228 OCCCCOc1cccc(c1)CO 34a_100011214949_100011216708 [0,2,0,0,0,0|1,0,0]=3 21825 B14R1.228 OCCCCOc1cccc(c1)CO 7a_100011214949_100000210776 [0,2,0,0,0,0|1,0,0]=3 21826 B14R1.228 OCCCCSc1cc(ccn1)CO 62a_100000210776_100009814636 [0,2,0,0,0,0|2,0,0]=4 21827 B14R1.228 OCCCCSc1cc(ccn1)CO 62a_100009814636_100000210776 [0,2,0,0,0,0|2,0,0]=4 21828 B14R1.228 OCCCCSc1cccc(c1)CF 62a_100000210776_100010878472 [0,2,0,0,0,0|1,0,0]=3 21829 B14R1.228 OCCCCSc1cccc(c1)CF 62a_100010878472_100000210776 [0,2,0,0,0,0|1,0,0]=3 21830 B14R1.228 OCCCCSc1cccc(c1)CO 62a_100000210776_100000687537 [0,2,0,0,0,0|1,0,0]=3 21831 B14R1.228 OCCCCSc1cccc(c1)CO 62a_100000687537_100000210776 [0,2,0,0,0,0|1,0,0]=3 21832 B14R1.228 OCCCCSc1cccc(n1)CO 62a_100000210776_100000694195 [0,2,0,0,0,0|2,0,0]=4 21833 B14R1.228 OCCCCSc1cccc(n1)CO 62a_100000694195_100000210776 [0,2,0,0,0,0|2,0,0]=4 21834 B14R1.228 OCCCCSc1ccnc(c1)CO 62a_100000210776_100000748867 [0,2,0,0,0,0|2,0,0]=4 21835 B14R1.228 OCCCCSc1ccnc(c1)CO 62a_100000748867_100000210776 [0,2,0,0,0,0|2,0,0]=4 21836 B14R1.228 OCCCCSc1cncc(c1)CO 62a_100000210776_100011259137 [0,2,0,0,0,0|2,0,0]=4 21837 B14R1.228 OCCCCSc1cncc(c1)CO 62a_100011259137_100000210776 [0,2,0,0,0,0|2,0,0]=4 21838 B14R1.228 OCCCNCc1cccc(c1)CO 207a_100000182051_200000050894 [0,2,0,0,0,0|1,0,0]=3 21839 B14R1.228 OCCCNCc1cccc(c1)CO 2230a_100011269909_100000230001 [0,2,0,0,0,0|1,0,0]=3 21840 B14R1.228 OCCCNCc1cccc(c1)CO 270004a_100000182051_200000050894 [0,2,0,0,0,0|1,0,0]=3 21841 B14R1.228 OCCCNCc1cccc(c1)CO 34a_100011269909_100000230001 [0,2,0,0,0,0|1,0,0]=3 21842 B14R1.228 OCCCNCc1cccc(n1)CF 207a_100000182051_100016121940 [0,2,0,0,0,0|2,0,0]=4 21843 B14R1.228 OCCCNCc1cccc(n1)CF 270004a_100000182051_100016121940 [0,2,0,0,0,0|2,0,0]=4 21844 B14R1.228 OCCCNCc1cccc(n1)CO 207a_100000182051_200000070131 [0,2,0,0,0,0|2,0,0]=4 21845 B14R1.228 OCCCNCc1cccc(n1)CO 270004a_100000182051_200000070131 [0,2,0,0,0,0|2,0,0]=4 21846 B14R1.228 OCCCOCc1cccc(c1)CBr 34a_100010188025_100000230001 [0,2,0,0,0,0|1,0,0]=3 21847 B14R1.228 OCCCOCc1cccc(c1)CBr 7a_100010188025_100011215043 [0,2,0,0,0,0|1,0,0]=3 21848 B14R1.228 OCCCOCc1cccc(c1)CCl 34a_200000090956_100000230001 [0,2,0,0,0,0|1,0,0]=3 21849 B14R1.228 OCCCOCc1cccc(c1)CCl 7a_200000090956_100011215043 [0,2,0,0,0,0|1,0,0]=3 21850 B14R1.228 OCCCSCc1cccc(c1)CO 62a_100010188025_100011215043 [0,2,0,0,0,0|1,0,0]=3 21851 B14R1.228 OCCCSCc1cccc(c1)CO 62a_100011215043_100010188025 [0,2,0,0,0,0|1,0,0]=3 21852 B14R1.228 OCCCSCc1cccc(n1)CO 62a_100009813551_100011215043 [0,2,0,0,0,0|2,0,0]=4 21853 B14R1.228 OCCCSCc1cccc(n1)CO 62a_100011215043_100009813551 [0,2,0,0,0,0|2,0,0]=4 21854 B14R1.228 OCc1cccc(c1)CNCCCF 207a_100015189416_200000050894 [0,2,0,0,0,0|2,0,0]=4 21855 B14R1.228 OCc1cccc(c1)CNCCCF 2230a_100011269909_100011934791 [0,2,0,0,0,0|2,0,0]=4 21856 B14R1.228 OCc1cccc(c1)CNCCCF 2230a_100015189416_100010188025 [0,2,0,0,0,0|2,0,0]=4 21857 B14R1.228 OCc1cccc(c1)CNCCCF 270004a_100015189416_200000050894 [0,2,0,0,0,0|2,0,0]=4 21858 B14R1.228 OCc1cccc(c1)CNCCCF 34a_100011269909_100011934791 [0,2,0,0,0,0|2,0,0]=4 21859 B14R1.228 OCc1cccc(c1)CNCCCF 34a_100015189416_100010188025 [0,2,0,0,0,0|2,0,0]=4 21860 B14R1.228 OCc1cccc(c1)COCCCBr 34a_100011217188_100010188025 [0,2,0,0,0,0|2,0,0]=4 21861 B14R1.228 OCc1cccc(c1)COCCCCl 34a_100000230001_100010188025 [0,2,0,0,0,0|2,0,0]=4 21862 B14R1.228 OCc1cccc(c1)COCCCF 34a_100000759539_100010188025 [0,2,0,0,0,0|2,0,0]=4 21863 B14R1.228 OCc1cccc(c1)CSCCCF 62a_100010188025_100011934791 [0,2,0,0,0,0|2,0,0]=4 21864 B14R1.228 OCc1cccc(c1)CSCCCF 62a_100011934791_100010188025 [0,2,0,0,0,0|2,0,0]=4 21865 B14R1.228 OCc1cccc(c1)NCCCCF 2230a_100000211919_100000729493 [0,2,0,0,0,0|2,0,0]=4 21866 B14R1.228 OCc1cccc(c1)NCCCCF 34a_100000211919_100000729493 [0,2,0,0,0,0|2,0,0]=4 21867 B14R1.228 OCc1cccc(c1)OCCCCF 34a_100011214949_100000729493 [0,2,0,0,0,0|2,0,0]=4 21868 B14R1.228 OCc1cccc(c1)OCCCCF 7a_100011214949_100000729493 [0,2,0,0,0,0|2,0,0]=4 21869 B14R1.228 OCc1cccc(c1)SCCCCF 62a_100000687537_100000729493 [0,2,0,0,0,0|2,0,0]=4 21870 B14R1.228 OCc1cccc(c1)SCCCCF 62a_100000729493_100000687537 [0,2,0,0,0,0|2,0,0]=4 21871 B14R1.232 BrCCCOCc1ccc(c(c1)Br)Br 34a_100011217188_100012353900 [0,2,0,0,0,0|2,0,0]=4 21872 B14R1.232 BrCCCOCc1ccc(c(c1)I)Br 34a_100011217188_100010146616 [0,2,0,0,0,0|2,0,0]=4 21873 B14R1.232 CCCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210326 [0,2,0,0,0,0|2,0,0]=4 21874 B14R1.232 CCCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000718602 [0,2,0,0,0,0|2,0,0]=4 21875 B14R1.232 CCCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210326 [0,2,0,0,0,0|2,0,0]=4 21876 B14R1.232 CCCCCNc1ccc(c(c1)Br)C 2230a_100000736455_100000210326 [0,2,0,0,0,0|2,0,0]=4 21877 B14R1.232 CCCCCNc1ccc(c(c1)Br)C 34a_100000736455_100000718602 [0,2,0,0,0,0|2,0,0]=4 21878 B14R1.232 CCCCCNc1ccc(c(c1)Br)C 7a_100000736455_100000210326 [0,2,0,0,0,0|2,0,0]=4 21879 B14R1.232 CCCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210326 [0,2,0,0,0,0|2,0,0]=4 21880 B14R1.232 CCCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000718602 [0,2,0,0,0,0|2,0,0]=4 21881 B14R1.232 CCCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210326 [0,2,0,0,0,0|2,0,0]=4 21882 B14R1.232 CCCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000718602 [0,2,0,0,0,0|2,0,0]=4 21883 B14R1.232 CCCCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210326 [0,2,0,0,0,0|2,0,0]=4 21884 B14R1.232 CCCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000718602 [0,2,0,0,0,0|2,0,0]=4 21885 B14R1.232 CCCCCNc1ccc(c(c1)Br)O 34a_100011534360_100000718602 [0,2,0,0,0,0|2,0,0]=4 21886 B14R1.232 CCCCCNc1ccc(c(c1)C)Br 2230a_100000210723_100000210326 [0,2,0,0,0,0|2,0,0]=4 21887 B14R1.232 CCCCCNc1ccc(c(c1)C)Br 34a_100000210723_100000718602 [0,2,0,0,0,0|2,0,0]=4 21888 B14R1.232 CCCCCNc1ccc(c(c1)C)Br 7a_100000210723_100000210326 [0,2,0,0,0,0|2,0,0]=4 21889 B14R1.232 CCCCCNc1ccc(c(c1)C)C 2230a_100000724040_100000210326 [0,2,0,0,0,0|2,0,0]=4 21890 B14R1.232 CCCCCNc1ccc(c(c1)C)C 34a_100000724040_100000718602 [0,2,0,0,0,0|2,0,0]=4 21891 B14R1.232 CCCCCNc1ccc(c(c1)C)C 7a_100000724040_100000210326 [0,2,0,0,0,0|2,0,0]=4 21892 B14R1.232 CCCCCNc1ccc(c(c1)C)Cl 2230a_100000187808_100000210326 [0,2,0,0,0,0|2,0,0]=4 21893 B14R1.232 CCCCCNc1ccc(c(c1)C)Cl 34a_100000187808_100000718602 [0,2,0,0,0,0|2,0,0]=4 21894 B14R1.232 CCCCCNc1ccc(c(c1)C)Cl 7a_100000187808_100000210326 [0,2,0,0,0,0|2,0,0]=4 21895 B14R1.232 CCCCCNc1ccc(c(c1)C)F 2230a_100000750164_100000210326 [0,2,0,0,0,0|2,0,0]=4 21896 B14R1.232 CCCCCNc1ccc(c(c1)C)F 34a_100000750164_100000718602 [0,2,0,0,0,0|2,0,0]=4 21897 B14R1.232 CCCCCNc1ccc(c(c1)C)F 7a_100000750164_100000210326 [0,2,0,0,0,0|2,0,0]=4 21898 B14R1.232 CCCCCNc1ccc(c(c1)C)I 34a_100000198070_100000718602 [0,2,0,0,0,0|2,0,0]=4 21899 B14R1.232 CCCCCNc1ccc(c(c1)C)I 7a_100000198070_100000210326 [0,2,0,0,0,0|2,0,0]=4 21900 B14R1.232 CCCCCNc1ccc(c(c1)C)O 34a_100011218179_100000718602 [0,2,0,0,0,0|2,0,0]=4 21901 B14R1.232 CCCCCNc1ccc(c(c1)C)O 7a_100011218179_100000210326 [0,2,0,0,0,0|2,0,0]=4 21902 B14R1.232 CCCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210326 [0,2,0,0,0,0|2,0,0]=4 21903 B14R1.232 CCCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000718602 [0,2,0,0,0,0|2,0,0]=4 21904 B14R1.232 CCCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210326 [0,2,0,0,0,0|2,0,0]=4 21905 B14R1.232 CCCCCNc1ccc(c(c1)Cl)C 2230a_100000188892_100000210326 [0,2,0,0,0,0|2,0,0]=4 21906 B14R1.232 CCCCCNc1ccc(c(c1)Cl)C 34a_100000188892_100000718602 [0,2,0,0,0,0|2,0,0]=4 21907 B14R1.232 CCCCCNc1ccc(c(c1)Cl)C 7a_100000188892_100000210326 [0,2,0,0,0,0|2,0,0]=4 21908 B14R1.232 CCCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210326 [0,2,0,0,0,0|2,0,0]=4 21909 B14R1.232 CCCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000718602 [0,2,0,0,0,0|2,0,0]=4 21910 B14R1.232 CCCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210326 [0,2,0,0,0,0|2,0,0]=4 21911 B14R1.232 CCCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000718602 [0,2,0,0,0,0|2,0,0]=4 21912 B14R1.232 CCCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210326 [0,2,0,0,0,0|2,0,0]=4 21913 B14R1.232 CCCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000718602 [0,2,0,0,0,0|2,0,0]=4 21914 B14R1.232 CCCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100000718602 [0,2,0,0,0,0|2,0,0]=4 21915 B14R1.232 CCCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210326 [0,2,0,0,0,0|2,0,0]=4 21916 B14R1.232 CCCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000718602 [0,2,0,0,0,0|2,0,0]=4 21917 B14R1.232 CCCCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210326 [0,2,0,0,0,0|2,0,0]=4 21918 B14R1.232 CCCCCNc1ccc(c(c1)F)C 2230a_100000210958_100000210326 [0,2,0,0,0,0|2,0,0]=4 21919 B14R1.232 CCCCCNc1ccc(c(c1)F)C 34a_100000210958_100000718602 [0,2,0,0,0,0|2,0,0]=4 21920 B14R1.232 CCCCCNc1ccc(c(c1)F)C 7a_100000210958_100000210326 [0,2,0,0,0,0|2,0,0]=4 21921 B14R1.232 CCCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210326 [0,2,0,0,0,0|2,0,0]=4 21922 B14R1.232 CCCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000718602 [0,2,0,0,0,0|2,0,0]=4 21923 B14R1.232 CCCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210326 [0,2,0,0,0,0|2,0,0]=4 21924 B14R1.232 CCCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210326 [0,2,0,0,0,0|2,0,0]=4 21925 B14R1.232 CCCCCNc1ccc(c(c1)F)F 34a_100000210724_100000718602 [0,2,0,0,0,0|2,0,0]=4 21926 B14R1.232 CCCCCNc1ccc(c(c1)F)F 7a_100000210724_100000210326 [0,2,0,0,0,0|2,0,0]=4 21927 B14R1.232 CCCCCNc1ccc(c(c1)F)I 34a_100011356925_100000718602 [0,2,0,0,0,0|2,0,0]=4 21928 B14R1.232 CCCCCNc1ccc(c(c1)F)I 7a_100011356925_100000210326 [0,2,0,0,0,0|2,0,0]=4 21929 B14R1.232 CCCCCNc1ccc(c(c1)F)O 34a_100011220035_100000718602 [0,2,0,0,0,0|2,0,0]=4 21930 B14R1.232 CCCCCNc1ccc(c(c1)F)O 7a_100011220035_100000210326 [0,2,0,0,0,0|2,0,0]=4 21931 B14R1.232 CCCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000718602 [0,2,0,0,0,0|2,0,0]=4 21932 B14R1.232 CCCCCNc1ccc(c(c1)I)C 34a_100000184131_100000718602 [0,2,0,0,0,0|2,0,0]=4 21933 B14R1.232 CCCCCNc1ccc(c(c1)I)C 7a_100000184131_100000210326 [0,2,0,0,0,0|2,0,0]=4 21934 B14R1.232 CCCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000718602 [0,2,0,0,0,0|2,0,0]=4 21935 B14R1.232 CCCCCNc1ccc(c(c1)I)F 34a_114828291077_100000718602 [0,2,0,0,0,0|2,0,0]=4 21936 B14R1.232 CCCCCNc1ccc(c(c1)I)F 7a_114828291077_100000210326 [0,2,0,0,0,0|2,0,0]=4 21937 B14R1.232 CCCCCNc1ccc(c(c1)O)C 34a_100000759471_100000718602 [0,2,0,0,0,0|2,0,0]=4 21938 B14R1.232 CCCCCNc1ccc(c(c1)O)C 7a_100000759471_100000210326 [0,2,0,0,0,0|2,0,0]=4 21939 B14R1.232 CCCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100000718602 [0,2,0,0,0,0|2,0,0]=4 21940 B14R1.232 CCCCCNc1ccc(c(c1)O)F 34a_100012017398_100000718602 [0,2,0,0,0,0|2,0,0]=4 21941 B14R1.232 CCCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210326 [0,2,0,0,0,0|2,0,0]=4 21942 B14R1.232 CCCCCNc1ccc(c(c1)O)O 34a_100102946323_100000718602 [0,2,0,0,0,0|2,0,0]=4 21943 B14R1.232 CCCCCOc1ccc(c(c1)Br)C 34a_100011380479_100000718602 [0,2,0,0,0,0|2,0,0]=4 21944 B14R1.232 CCCCCOc1ccc(c(c1)Br)C 7a_100011380479_100000210326 [0,2,0,0,0,0|2,0,0]=4 21945 B14R1.232 CCCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000718602 [0,2,0,0,0,0|2,0,0]=4 21946 B14R1.232 CCCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210326 [0,2,0,0,0,0|2,0,0]=4 21947 B14R1.232 CCCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000718602 [0,2,0,0,0,0|2,0,0]=4 21948 B14R1.232 CCCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210326 [0,2,0,0,0,0|2,0,0]=4 21949 B14R1.232 CCCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000718602 [0,2,0,0,0,0|2,0,0]=4 21950 B14R1.232 CCCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210326 [0,2,0,0,0,0|2,0,0]=4 21951 B14R1.232 CCCCCOc1ccc(c(c1)Br)N 34a_100012001276_100000718602 [0,2,0,0,0,0|2,0,0]=4 21952 B14R1.232 CCCCCOc1ccc(c(c1)Br)N 7a_100012001276_100000210326 [0,2,0,0,0,0|2,0,0]=4 21953 B14R1.232 CCCCCOc1ccc(c(c1)C)Br 34a_100000690111_100000718602 [0,2,0,0,0,0|2,0,0]=4 21954 B14R1.232 CCCCCOc1ccc(c(c1)C)Br 7a_100000690111_100000210326 [0,2,0,0,0,0|2,0,0]=4 21955 B14R1.232 CCCCCOc1ccc(c(c1)C)C 34a_100000210932_100000718602 [0,2,0,0,0,0|2,0,0]=4 21956 B14R1.232 CCCCCOc1ccc(c(c1)C)C 7a_100000210932_100000210326 [0,2,0,0,0,0|2,0,0]=4 21957 B14R1.232 CCCCCOc1ccc(c(c1)C)Cl 34a_100000211092_100000718602 [0,2,0,0,0,0|2,0,0]=4 21958 B14R1.232 CCCCCOc1ccc(c(c1)C)Cl 7a_100000211092_100000210326 [0,2,0,0,0,0|2,0,0]=4 21959 B14R1.232 CCCCCOc1ccc(c(c1)C)F 34a_100000751312_100000718602 [0,2,0,0,0,0|2,0,0]=4 21960 B14R1.232 CCCCCOc1ccc(c(c1)C)F 7a_100000751312_100000210326 [0,2,0,0,0,0|2,0,0]=4 21961 B14R1.232 CCCCCOc1ccc(c(c1)C)I 34a_100000729255_100000718602 [0,2,0,0,0,0|2,0,0]=4 21962 B14R1.232 CCCCCOc1ccc(c(c1)C)I 7a_100000729255_100000210326 [0,2,0,0,0,0|2,0,0]=4 21963 B14R1.232 CCCCCOc1ccc(c(c1)C)N 34a_100000756630_100000718602 [0,2,0,0,0,0|2,0,0]=4 21964 B14R1.232 CCCCCOc1ccc(c(c1)C)N 7a_100000756630_100000210326 [0,2,0,0,0,0|2,0,0]=4 21965 B14R1.232 CCCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000718602 [0,2,0,0,0,0|2,0,0]=4 21966 B14R1.232 CCCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210326 [0,2,0,0,0,0|2,0,0]=4 21967 B14R1.232 CCCCCOc1ccc(c(c1)Cl)C 34a_100011265682_100000718602 [0,2,0,0,0,0|2,0,0]=4 21968 B14R1.232 CCCCCOc1ccc(c(c1)Cl)C 7a_100011265682_100000210326 [0,2,0,0,0,0|2,0,0]=4 21969 B14R1.232 CCCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000718602 [0,2,0,0,0,0|2,0,0]=4 21970 B14R1.232 CCCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210326 [0,2,0,0,0,0|2,0,0]=4 21971 B14R1.232 CCCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000718602 [0,2,0,0,0,0|2,0,0]=4 21972 B14R1.232 CCCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210326 [0,2,0,0,0,0|2,0,0]=4 21973 B14R1.232 CCCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000718602 [0,2,0,0,0,0|2,0,0]=4 21974 B14R1.232 CCCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210326 [0,2,0,0,0,0|2,0,0]=4 21975 B14R1.232 CCCCCOc1ccc(c(c1)Cl)N 34a_100011215599_100000718602 [0,2,0,0,0,0|2,0,0]=4 21976 B14R1.232 CCCCCOc1ccc(c(c1)Cl)N 7a_100011215599_100000210326 [0,2,0,0,0,0|2,0,0]=4 21977 B14R1.232 CCCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000718602 [0,2,0,0,0,0|2,0,0]=4 21978 B14R1.232 CCCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210326 [0,2,0,0,0,0|2,0,0]=4 21979 B14R1.232 CCCCCOc1ccc(c(c1)F)C 34a_100000722560_100000718602 [0,2,0,0,0,0|2,0,0]=4 21980 B14R1.232 CCCCCOc1ccc(c(c1)F)C 7a_100000722560_100000210326 [0,2,0,0,0,0|2,0,0]=4 21981 B14R1.232 CCCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000718602 [0,2,0,0,0,0|2,0,0]=4 21982 B14R1.232 CCCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210326 [0,2,0,0,0,0|2,0,0]=4 21983 B14R1.232 CCCCCOc1ccc(c(c1)F)F 34a_100000181275_100000718602 [0,2,0,0,0,0|2,0,0]=4 21984 B14R1.232 CCCCCOc1ccc(c(c1)F)F 7a_100000181275_100000210326 [0,2,0,0,0,0|2,0,0]=4 21985 B14R1.232 CCCCCOc1ccc(c(c1)F)I 34a_100009990212_100000718602 [0,2,0,0,0,0|2,0,0]=4 21986 B14R1.232 CCCCCOc1ccc(c(c1)F)I 7a_100009990212_100000210326 [0,2,0,0,0,0|2,0,0]=4 21987 B14R1.232 CCCCCOc1ccc(c(c1)F)N 34a_100000759473_100000718602 [0,2,0,0,0,0|2,0,0]=4 21988 B14R1.232 CCCCCOc1ccc(c(c1)F)N 7a_100000759473_100000210326 [0,2,0,0,0,0|2,0,0]=4 21989 B14R1.232 CCCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000718602 [0,2,0,0,0,0|2,0,0]=4 21990 B14R1.232 CCCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210326 [0,2,0,0,0,0|2,0,0]=4 21991 B14R1.232 CCCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000718602 [0,2,0,0,0,0|2,0,0]=4 21992 B14R1.232 CCCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210326 [0,2,0,0,0,0|2,0,0]=4 21993 B14R1.232 CCCCCOc1ccc(c(c1)I)N 34a_100010084370_100000718602 [0,2,0,0,0,0|2,0,0]=4 21994 B14R1.232 CCCCCOc1ccc(c(c1)I)N 7a_100010084370_100000210326 [0,2,0,0,0,0|2,0,0]=4 21995 B14R1.232 CCCCCOc1ccc(c(c1)N)Br 34a_100011999798_100000718602 [0,2,0,0,0,0|2,0,0]=4 21996 B14R1.232 CCCCCOc1ccc(c(c1)N)Br 7a_100011999798_100000210326 [0,2,0,0,0,0|2,0,0]=4 21997 B14R1.232 CCCCCOc1ccc(c(c1)N)C 34a_100011216113_100000718602 [0,2,0,0,0,0|2,0,0]=4 21998 B14R1.232 CCCCCOc1ccc(c(c1)N)C 7a_100011216113_100000210326 [0,2,0,0,0,0|2,0,0]=4 21999 B14R1.232 CCCCCOc1ccc(c(c1)N)Cl 34a_100011934297_100000718602 [0,2,0,0,0,0|2,0,0]=4 22000 B14R1.232 CCCCCOc1ccc(c(c1)N)F 34a_100012017239_100000718602 [0,2,0,0,0,0|2,0,0]=4 22001 B14R1.232 CCCCCOc1ccc(c(c1)N)F 7a_100012017239_100000210326 [0,2,0,0,0,0|2,0,0]=4 22002 B14R1.232 CCCCCOc1ccc(c(c1)N)N 34a_100025771000_100000718602 [0,2,0,0,0,0|2,0,0]=4 22003 B14R1.232 CCCCCSc1ccc(c(c1)Br)Br 62a_100000210326_100012356285 [0,2,0,0,0,0|2,0,0]=4 22004 B14R1.232 CCCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210326 [0,2,0,0,0,0|2,0,0]=4 22005 B14R1.232 CCCCCSc1ccc(c(c1)Br)C 62a_100000210326_100011847877 [0,2,0,0,0,0|2,0,0]=4 22006 B14R1.232 CCCCCSc1ccc(c(c1)Br)C 62a_100011847877_100000210326 [0,2,0,0,0,0|2,0,0]=4 22007 B14R1.232 CCCCCSc1ccc(c(c1)Br)Cl 62a_100000210326_100012353702 [0,2,0,0,0,0|2,0,0]=4 22008 B14R1.232 CCCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210326 [0,2,0,0,0,0|2,0,0]=4 22009 B14R1.232 CCCCCSc1ccc(c(c1)Br)F 62a_100000210326_100012047266 [0,2,0,0,0,0|2,0,0]=4 22010 B14R1.232 CCCCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210326 [0,2,0,0,0,0|2,0,0]=4 22011 B14R1.232 CCCCCSc1ccc(c(c1)Br)N 62a_100000210326_100000750455 [0,2,0,0,0,0|2,0,0]=4 22012 B14R1.232 CCCCCSc1ccc(c(c1)Br)N 62a_100000750455_100000210326 [0,2,0,0,0,0|2,0,0]=4 22013 B14R1.232 CCCCCSc1ccc(c(c1)Br)O 62a_100000210326_100012361655 [0,2,0,0,0,0|2,0,0]=4 22014 B14R1.232 CCCCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210326 [0,2,0,0,0,0|2,0,0]=4 22015 B14R1.232 CCCCCSc1ccc(c(c1)C)Br 62a_100000210326_100009813585 [0,2,0,0,0,0|2,0,0]=4 22016 B14R1.232 CCCCCSc1ccc(c(c1)C)Br 62a_100009813585_100000210326 [0,2,0,0,0,0|2,0,0]=4 22017 B14R1.232 CCCCCSc1ccc(c(c1)C)C 62a_100000210326_100011215607 [0,2,0,0,0,0|2,0,0]=4 22018 B14R1.232 CCCCCSc1ccc(c(c1)C)C 62a_100011215607_100000210326 [0,2,0,0,0,0|2,0,0]=4 22019 B14R1.232 CCCCCSc1ccc(c(c1)C)Cl 62a_100000049509_100000210326 [0,2,0,0,0,0|2,0,0]=4 22020 B14R1.232 CCCCCSc1ccc(c(c1)C)Cl 62a_100000210326_100000049509 [0,2,0,0,0,0|2,0,0]=4 22021 B14R1.232 CCCCCSc1ccc(c(c1)C)F 62a_100000210326_100011218330 [0,2,0,0,0,0|2,0,0]=4 22022 B14R1.232 CCCCCSc1ccc(c(c1)C)F 62a_100011218330_100000210326 [0,2,0,0,0,0|2,0,0]=4 22023 B14R1.232 CCCCCSc1ccc(c(c1)C)N 62a_100000210326_100000211769 [0,2,0,0,0,0|2,0,0]=4 22024 B14R1.232 CCCCCSc1ccc(c(c1)C)N 62a_100000211769_100000210326 [0,2,0,0,0,0|2,0,0]=4 22025 B14R1.232 CCCCCSc1ccc(c(c1)C)O 62a_100000210326_100000186361 [0,2,0,0,0,0|2,0,0]=4 22026 B14R1.232 CCCCCSc1ccc(c(c1)Cl)Br 62a_100000210326_100012047281 [0,2,0,0,0,0|2,0,0]=4 22027 B14R1.232 CCCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210326 [0,2,0,0,0,0|2,0,0]=4 22028 B14R1.232 CCCCCSc1ccc(c(c1)Cl)C 62a_100000210326_100011216363 [0,2,0,0,0,0|2,0,0]=4 22029 B14R1.232 CCCCCSc1ccc(c(c1)Cl)C 62a_100011216363_100000210326 [0,2,0,0,0,0|2,0,0]=4 22030 B14R1.232 CCCCCSc1ccc(c(c1)Cl)Cl 62a_100000210326_100011214914 [0,2,0,0,0,0|2,0,0]=4 22031 B14R1.232 CCCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210326 [0,2,0,0,0,0|2,0,0]=4 22032 B14R1.232 CCCCCSc1ccc(c(c1)Cl)F 62a_100000210326_100011215976 [0,2,0,0,0,0|2,0,0]=4 22033 B14R1.232 CCCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210326 [0,2,0,0,0,0|2,0,0]=4 22034 B14R1.232 CCCCCSc1ccc(c(c1)Cl)N 62a_100000210326_100011218065 [0,2,0,0,0,0|2,0,0]=4 22035 B14R1.232 CCCCCSc1ccc(c(c1)Cl)N 62a_100011218065_100000210326 [0,2,0,0,0,0|2,0,0]=4 22036 B14R1.232 CCCCCSc1ccc(c(c1)Cl)O 62a_100000210326_100012360047 [0,2,0,0,0,0|2,0,0]=4 22037 B14R1.232 CCCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210326 [0,2,0,0,0,0|2,0,0]=4 22038 B14R1.232 CCCCCSc1ccc(c(c1)F)Br 62a_100000210326_100000685389 [0,2,0,0,0,0|2,0,0]=4 22039 B14R1.232 CCCCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210326 [0,2,0,0,0,0|2,0,0]=4 22040 B14R1.232 CCCCCSc1ccc(c(c1)F)C 62a_100000210326_100000720648 [0,2,0,0,0,0|2,0,0]=4 22041 B14R1.232 CCCCCSc1ccc(c(c1)F)C 62a_100000720648_100000210326 [0,2,0,0,0,0|2,0,0]=4 22042 B14R1.232 CCCCCSc1ccc(c(c1)F)Cl 62a_100000210326_100011216805 [0,2,0,0,0,0|2,0,0]=4 22043 B14R1.232 CCCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210326 [0,2,0,0,0,0|2,0,0]=4 22044 B14R1.232 CCCCCSc1ccc(c(c1)F)F 62a_100000210326_100000703953 [0,2,0,0,0,0|2,0,0]=4 22045 B14R1.232 CCCCCSc1ccc(c(c1)F)F 62a_100000703953_100000210326 [0,2,0,0,0,0|2,0,0]=4 22046 B14R1.232 CCCCCSc1ccc(c(c1)F)N 62a_100000210326_100011215594 [0,2,0,0,0,0|2,0,0]=4 22047 B14R1.232 CCCCCSc1ccc(c(c1)F)N 62a_100011215594_100000210326 [0,2,0,0,0,0|2,0,0]=4 22048 B14R1.232 CCCCCSc1ccc(c(c1)F)O 62a_100000185481_100000210326 [0,2,0,0,0,0|2,0,0]=4 22049 B14R1.232 CCCCCSc1ccc(c(c1)F)O 62a_100000210326_100000185481 [0,2,0,0,0,0|2,0,0]=4 22050 B14R1.232 CCCCCSc1ccc(c(c1)N)Br 62a_100000210326_100000750456 [0,2,0,0,0,0|2,0,0]=4 22051 B14R1.232 CCCCCSc1ccc(c(c1)N)Br 62a_100000750456_100000210326 [0,2,0,0,0,0|2,0,0]=4 22052 B14R1.232 CCCCCSc1ccc(c(c1)N)C 62a_100000210326_100000761890 [0,2,0,0,0,0|2,0,0]=4 22053 B14R1.232 CCCCCSc1ccc(c(c1)N)C 62a_100000761890_100000210326 [0,2,0,0,0,0|2,0,0]=4 22054 B14R1.232 CCCCCSc1ccc(c(c1)N)Cl 62a_100000210326_200000761891 [0,2,0,0,0,0|2,0,0]=4 22055 B14R1.232 CCCCCSc1ccc(c(c1)N)Cl 62a_200000761891_100000210326 [0,2,0,0,0,0|2,0,0]=4 22056 B14R1.232 CCCCCSc1ccc(c(c1)N)F 62a_100000210326_100000740924 [0,2,0,0,0,0|2,0,0]=4 22057 B14R1.232 CCCCCSc1ccc(c(c1)N)F 62a_100000740924_100000210326 [0,2,0,0,0,0|2,0,0]=4 22058 B14R1.232 CCCCCSc1ccc(c(c1)N)N 62a_100000210326_100011534411 [0,2,0,0,0,0|2,0,0]=4 22059 B14R1.232 CCCCCSc1ccc(c(c1)N)N 62a_100000741789_100000210326 [0,2,0,0,0,0|2,0,0]=4 22060 B14R1.232 CCCCCSc1ccc(c(c1)N)O 62a_100000210326_100000752626 [0,2,0,0,0,0|2,0,0]=4 22061 B14R1.232 CCCCCSc1ccc(c(c1)N)O 62a_100000752626_100000210326 [0,2,0,0,0,0|2,0,0]=4 22062 B14R1.232 CCCCCSc1ccc(c(c1)O)Br 62a_100000210326_100012356990 [0,2,0,0,0,0|2,0,0]=4 22063 B14R1.232 CCCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210326 [0,2,0,0,0,0|2,0,0]=4 22064 B14R1.232 CCCCCSc1ccc(c(c1)O)C 62a_100000210326_100000685420 [0,2,0,0,0,0|2,0,0]=4 22065 B14R1.232 CCCCCSc1ccc(c(c1)O)C 62a_100000685420_100000210326 [0,2,0,0,0,0|2,0,0]=4 22066 B14R1.232 CCCCCSc1ccc(c(c1)O)Cl 62a_100000210326_100011356854 [0,2,0,0,0,0|2,0,0]=4 22067 B14R1.232 CCCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210326 [0,2,0,0,0,0|2,0,0]=4 22068 B14R1.232 CCCCCSc1ccc(c(c1)O)F 62a_100000210326_100000686035 [0,2,0,0,0,0|2,0,0]=4 22069 B14R1.232 CCCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210326 [0,2,0,0,0,0|2,0,0]=4 22070 B14R1.232 CCCCCSc1ccc(c(c1)O)N 62a_100000210326_100000739049 [0,2,0,0,0,0|2,0,0]=4 22071 B14R1.232 CCCCCSc1ccc(c(c1)O)N 62a_100000739049_100000210326 [0,2,0,0,0,0|2,0,0]=4 22072 B14R1.232 CCCCCSc1ccc(c(c1)O)O 62a_100000210326_100009813601 [0,2,0,0,0,0|2,0,0]=4 22073 B14R1.232 CCCCNCc1ccc(c(c1)Br)Br 207a_100000102301_100011215943 [0,2,0,0,0,0|2,0,0]=4 22074 B14R1.232 CCCCNCc1ccc(c(c1)Br)Br 2230a_100000102301_100012353900 [0,2,0,0,0,0|2,0,0]=4 22075 B14R1.232 CCCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000210211 [0,2,0,0,0,0|2,0,0]=4 22076 B14R1.232 CCCCNCc1ccc(c(c1)Br)Br 270004a_100000102301_100011215943 [0,2,0,0,0,0|2,0,0]=4 22077 B14R1.232 CCCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000210210 [0,2,0,0,0,0|2,0,0]=4 22078 B14R1.232 CCCCNCc1ccc(c(c1)Br)Br 7a_106832991798_100012353900 [0,2,0,0,0,0|2,0,0]=4 22079 B14R1.232 CCCCNCc1ccc(c(c1)Br)C 207a_100000102301_100000695567 [0,2,0,0,0,0|2,0,0]=4 22080 B14R1.232 CCCCNCc1ccc(c(c1)Br)C 2230a_100000102301_100012232412 [0,2,0,0,0,0|2,0,0]=4 22081 B14R1.232 CCCCNCc1ccc(c(c1)Br)C 270004a_100000102301_100000695567 [0,2,0,0,0,0|2,0,0]=4 22082 B14R1.232 CCCCNCc1ccc(c(c1)Br)C 7a_106832991798_100012232412 [0,2,0,0,0,0|2,0,0]=4 22083 B14R1.232 CCCCNCc1ccc(c(c1)Br)Cl 207a_100000102301_100000693810 [0,2,0,0,0,0|2,0,0]=4 22084 B14R1.232 CCCCNCc1ccc(c(c1)Br)Cl 2230a_100000102301_100012353894 [0,2,0,0,0,0|2,0,0]=4 22085 B14R1.232 CCCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000210211 [0,2,0,0,0,0|2,0,0]=4 22086 B14R1.232 CCCCNCc1ccc(c(c1)Br)Cl 270004a_100000102301_100000693810 [0,2,0,0,0,0|2,0,0]=4 22087 B14R1.232 CCCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000210210 [0,2,0,0,0,0|2,0,0]=4 22088 B14R1.232 CCCCNCc1ccc(c(c1)Br)Cl 7a_106832991798_100012353894 [0,2,0,0,0,0|2,0,0]=4 22089 B14R1.232 CCCCNCc1ccc(c(c1)Br)F 207a_100000102301_100000211747 [0,2,0,0,0,0|2,0,0]=4 22090 B14R1.232 CCCCNCc1ccc(c(c1)Br)F 2230a_100000102301_100011206884 [0,2,0,0,0,0|2,0,0]=4 22091 B14R1.232 CCCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000210211 [0,2,0,0,0,0|2,0,0]=4 22092 B14R1.232 CCCCNCc1ccc(c(c1)Br)F 270004a_100000102301_100000211747 [0,2,0,0,0,0|2,0,0]=4 22093 B14R1.232 CCCCNCc1ccc(c(c1)Br)F 34a_100015193890_100000210210 [0,2,0,0,0,0|2,0,0]=4 22094 B14R1.232 CCCCNCc1ccc(c(c1)Br)F 7a_106832991798_100011206884 [0,2,0,0,0,0|2,0,0]=4 22095 B14R1.232 CCCCNCc1ccc(c(c1)C)Br 207a_100000102301_100000765772 [0,2,0,0,0,0|2,0,0]=4 22096 B14R1.232 CCCCNCc1ccc(c(c1)C)Br 2230a_100000102301_100000727479 [0,2,0,0,0,0|2,0,0]=4 22097 B14R1.232 CCCCNCc1ccc(c(c1)C)Br 2230a_100015205234_100000210211 [0,2,0,0,0,0|2,0,0]=4 22098 B14R1.232 CCCCNCc1ccc(c(c1)C)Br 270004a_100000102301_100000765772 [0,2,0,0,0,0|2,0,0]=4 22099 B14R1.232 CCCCNCc1ccc(c(c1)C)Br 34a_100015205234_100000210210 [0,2,0,0,0,0|2,0,0]=4 22100 B14R1.232 CCCCNCc1ccc(c(c1)C)Br 7a_106832991798_100000727479 [0,2,0,0,0,0|2,0,0]=4 22101 B14R1.232 CCCCNCc1ccc(c(c1)C)C 207a_100000102301_100000229942 [0,2,0,0,0,0|2,0,0]=4 22102 B14R1.232 CCCCNCc1ccc(c(c1)C)C 2230a_100000102301_100000742320 [0,2,0,0,0,0|2,0,0]=4 22103 B14R1.232 CCCCNCc1ccc(c(c1)C)C 2230a_100025706692_100000210211 [0,2,0,0,0,0|2,0,0]=4 22104 B14R1.232 CCCCNCc1ccc(c(c1)C)C 270004a_100000102301_100000229942 [0,2,0,0,0,0|2,0,0]=4 22105 B14R1.232 CCCCNCc1ccc(c(c1)C)C 34a_100025706692_100000210210 [0,2,0,0,0,0|2,0,0]=4 22106 B14R1.232 CCCCNCc1ccc(c(c1)C)C 7a_106832991798_100000742320 [0,2,0,0,0,0|2,0,0]=4 22107 B14R1.232 CCCCNCc1ccc(c(c1)C)Cl 207a_100000102301_100000698814 [0,2,0,0,0,0|2,0,0]=4 22108 B14R1.232 CCCCNCc1ccc(c(c1)C)Cl 2230a_100000102301_100012184735 [0,2,0,0,0,0|2,0,0]=4 22109 B14R1.232 CCCCNCc1ccc(c(c1)C)Cl 270004a_100000102301_100000698814 [0,2,0,0,0,0|2,0,0]=4 22110 B14R1.232 CCCCNCc1ccc(c(c1)C)Cl 7a_106832991798_100012184735 [0,2,0,0,0,0|2,0,0]=4 22111 B14R1.232 CCCCNCc1ccc(c(c1)C)F 207a_100000102301_100000748208 [0,2,0,0,0,0|2,0,0]=4 22112 B14R1.232 CCCCNCc1ccc(c(c1)C)F 2230a_100000102301_100011216667 [0,2,0,0,0,0|2,0,0]=4 22113 B14R1.232 CCCCNCc1ccc(c(c1)C)F 2230a_100000239911_100000210211 [0,2,0,0,0,0|2,0,0]=4 22114 B14R1.232 CCCCNCc1ccc(c(c1)C)F 270004a_100000102301_100000748208 [0,2,0,0,0,0|2,0,0]=4 22115 B14R1.232 CCCCNCc1ccc(c(c1)C)F 34a_100000239911_100000210210 [0,2,0,0,0,0|2,0,0]=4 22116 B14R1.232 CCCCNCc1ccc(c(c1)C)F 7a_106832991798_100011216667 [0,2,0,0,0,0|2,0,0]=4 22117 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Br 207a_100000102301_100000690054 [0,2,0,0,0,0|2,0,0]=4 22118 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Br 2230a_100000102301_100012353895 [0,2,0,0,0,0|2,0,0]=4 22119 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000210211 [0,2,0,0,0,0|2,0,0]=4 22120 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Br 270004a_100000102301_100000690054 [0,2,0,0,0,0|2,0,0]=4 22121 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000210210 [0,2,0,0,0,0|2,0,0]=4 22122 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Br 7a_106832991798_100012353895 [0,2,0,0,0,0|2,0,0]=4 22123 B14R1.232 CCCCNCc1ccc(c(c1)Cl)C 207a_100000102301_100000760539 [0,2,0,0,0,0|2,0,0]=4 22124 B14R1.232 CCCCNCc1ccc(c(c1)Cl)C 2230a_100000102301_100011823929 [0,2,0,0,0,0|2,0,0]=4 22125 B14R1.232 CCCCNCc1ccc(c(c1)Cl)C 2230a_102495364989_100000210211 [0,2,0,0,0,0|2,0,0]=4 22126 B14R1.232 CCCCNCc1ccc(c(c1)Cl)C 270004a_100000102301_100000760539 [0,2,0,0,0,0|2,0,0]=4 22127 B14R1.232 CCCCNCc1ccc(c(c1)Cl)C 34a_102495364989_100000210210 [0,2,0,0,0,0|2,0,0]=4 22128 B14R1.232 CCCCNCc1ccc(c(c1)Cl)C 7a_106832991798_100011823929 [0,2,0,0,0,0|2,0,0]=4 22129 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl 207a_100000102301_100000188533 [0,2,0,0,0,0|2,0,0]=4 22130 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl 2230a_100000102301_100000184707 [0,2,0,0,0,0|2,0,0]=4 22131 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000210211 [0,2,0,0,0,0|2,0,0]=4 22132 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl 270004a_100000102301_100000188533 [0,2,0,0,0,0|2,0,0]=4 22133 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000210210 [0,2,0,0,0,0|2,0,0]=4 22134 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl 7a_106832991798_100000184707 [0,2,0,0,0,0|2,0,0]=4 22135 B14R1.232 CCCCNCc1ccc(c(c1)Cl)F 207a_100000102301_100000742290 [0,2,0,0,0,0|2,0,0]=4 22136 B14R1.232 CCCCNCc1ccc(c(c1)Cl)F 2230a_100000102301_100000717365 [0,2,0,0,0,0|2,0,0]=4 22137 B14R1.232 CCCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000210211 [0,2,0,0,0,0|2,0,0]=4 22138 B14R1.232 CCCCNCc1ccc(c(c1)Cl)F 270004a_100000102301_100000742290 [0,2,0,0,0,0|2,0,0]=4 22139 B14R1.232 CCCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000210210 [0,2,0,0,0,0|2,0,0]=4 22140 B14R1.232 CCCCNCc1ccc(c(c1)Cl)F 7a_106832991798_100000717365 [0,2,0,0,0,0|2,0,0]=4 22141 B14R1.232 CCCCNCc1ccc(c(c1)Cl)I 2230a_100000102301_100012349665 [0,2,0,0,0,0|2,0,0]=4 22142 B14R1.232 CCCCNCc1ccc(c(c1)Cl)I 7a_106832991798_100012349665 [0,2,0,0,0,0|2,0,0]=4 22143 B14R1.232 CCCCNCc1ccc(c(c1)F)Br 207a_100000102301_100000686674 [0,2,0,0,0,0|2,0,0]=4 22144 B14R1.232 CCCCNCc1ccc(c(c1)F)Br 2230a_100000102301_100000767054 [0,2,0,0,0,0|2,0,0]=4 22145 B14R1.232 CCCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000210211 [0,2,0,0,0,0|2,0,0]=4 22146 B14R1.232 CCCCNCc1ccc(c(c1)F)Br 270004a_100000102301_100000686674 [0,2,0,0,0,0|2,0,0]=4 22147 B14R1.232 CCCCNCc1ccc(c(c1)F)Br 34a_100000755036_100000210210 [0,2,0,0,0,0|2,0,0]=4 22148 B14R1.232 CCCCNCc1ccc(c(c1)F)Br 7a_106832991798_100000767054 [0,2,0,0,0,0|2,0,0]=4 22149 B14R1.232 CCCCNCc1ccc(c(c1)F)C 207a_100000102301_100000753222 [0,2,0,0,0,0|2,0,0]=4 22150 B14R1.232 CCCCNCc1ccc(c(c1)F)C 2230a_100000102301_100011217369 [0,2,0,0,0,0|2,0,0]=4 22151 B14R1.232 CCCCNCc1ccc(c(c1)F)C 2230a_100102708794_100000210211 [0,2,0,0,0,0|2,0,0]=4 22152 B14R1.232 CCCCNCc1ccc(c(c1)F)C 270004a_100000102301_100000753222 [0,2,0,0,0,0|2,0,0]=4 22153 B14R1.232 CCCCNCc1ccc(c(c1)F)C 34a_100102708794_100000210210 [0,2,0,0,0,0|2,0,0]=4 22154 B14R1.232 CCCCNCc1ccc(c(c1)F)C 7a_106832991798_100011217369 [0,2,0,0,0,0|2,0,0]=4 22155 B14R1.232 CCCCNCc1ccc(c(c1)F)Cl 207a_100000102301_100000745630 [0,2,0,0,0,0|2,0,0]=4 22156 B14R1.232 CCCCNCc1ccc(c(c1)F)Cl 2230a_100000102301_100000716492 [0,2,0,0,0,0|2,0,0]=4 22157 B14R1.232 CCCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000210211 [0,2,0,0,0,0|2,0,0]=4 22158 B14R1.232 CCCCNCc1ccc(c(c1)F)Cl 270004a_100000102301_100000745630 [0,2,0,0,0,0|2,0,0]=4 22159 B14R1.232 CCCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000210210 [0,2,0,0,0,0|2,0,0]=4 22160 B14R1.232 CCCCNCc1ccc(c(c1)F)Cl 7a_106832991798_100000716492 [0,2,0,0,0,0|2,0,0]=4 22161 B14R1.232 CCCCNCc1ccc(c(c1)F)F 207a_100000102301_100000211062 [0,2,0,0,0,0|2,0,0]=4 22162 B14R1.232 CCCCNCc1ccc(c(c1)F)F 2230a_100000102301_100000757363 [0,2,0,0,0,0|2,0,0]=4 22163 B14R1.232 CCCCNCc1ccc(c(c1)F)F 2230a_100000737897_100000210211 [0,2,0,0,0,0|2,0,0]=4 22164 B14R1.232 CCCCNCc1ccc(c(c1)F)F 270004a_100000102301_100000211062 [0,2,0,0,0,0|2,0,0]=4 22165 B14R1.232 CCCCNCc1ccc(c(c1)F)F 34a_100000737897_100000210210 [0,2,0,0,0,0|2,0,0]=4 22166 B14R1.232 CCCCNCc1ccc(c(c1)F)F 7a_106832991798_100000757363 [0,2,0,0,0,0|2,0,0]=4 22167 B14R1.232 CCCCNCc1ccc(c(c1)F)I 207a_100000102301_100000050832 [0,2,0,0,0,0|2,0,0]=4 22168 B14R1.232 CCCCNCc1ccc(c(c1)F)I 2230a_100000102301_100010149604 [0,2,0,0,0,0|2,0,0]=4 22169 B14R1.232 CCCCNCc1ccc(c(c1)F)I 270004a_100000102301_100000050832 [0,2,0,0,0,0|2,0,0]=4 22170 B14R1.232 CCCCNCc1ccc(c(c1)F)I 7a_106832991798_100010149604 [0,2,0,0,0,0|2,0,0]=4 22171 B14R1.232 CCCCNCc1ccc(c(c1)F)O 34a_100000758358_100000210210 [0,2,0,0,0,0|2,0,0]=4 22172 B14R1.232 CCCCNCc1ccc(c(c1)I)Br 207a_100000102301_100010146563 [0,2,0,0,0,0|2,0,0]=4 22173 B14R1.232 CCCCNCc1ccc(c(c1)I)Br 2230a_100000102301_100010146616 [0,2,0,0,0,0|2,0,0]=4 22174 B14R1.232 CCCCNCc1ccc(c(c1)I)Br 270004a_100000102301_100010146563 [0,2,0,0,0,0|2,0,0]=4 22175 B14R1.232 CCCCNCc1ccc(c(c1)I)Br 7a_106832991798_100010146616 [0,2,0,0,0,0|2,0,0]=4 22176 B14R1.232 CCCCNCc1ccc(c(c1)I)C 207a_100000102301_100010197721 [0,2,0,0,0,0|2,0,0]=4 22177 B14R1.232 CCCCNCc1ccc(c(c1)I)C 2230a_100000102301_100010206137 [0,2,0,0,0,0|2,0,0]=4 22178 B14R1.232 CCCCNCc1ccc(c(c1)I)C 270004a_100000102301_100010197721 [0,2,0,0,0,0|2,0,0]=4 22179 B14R1.232 CCCCNCc1ccc(c(c1)I)C 7a_106832991798_100010206137 [0,2,0,0,0,0|2,0,0]=4 22180 B14R1.232 CCCCNCc1ccc(c(c1)I)Cl 207a_100000102301_100010209939 [0,2,0,0,0,0|2,0,0]=4 22181 B14R1.232 CCCCNCc1ccc(c(c1)I)Cl 270004a_100000102301_100010209939 [0,2,0,0,0,0|2,0,0]=4 22182 B14R1.232 CCCCNCc1ccc(c(c1)I)F 207a_100000102301_100010188209 [0,2,0,0,0,0|2,0,0]=4 22183 B14R1.232 CCCCNCc1ccc(c(c1)I)F 2230a_100000102301_100010188208 [0,2,0,0,0,0|2,0,0]=4 22184 B14R1.232 CCCCNCc1ccc(c(c1)I)F 270004a_100000102301_100010188209 [0,2,0,0,0,0|2,0,0]=4 22185 B14R1.232 CCCCNCc1ccc(c(c1)I)F 7a_106832991798_100010188208 [0,2,0,0,0,0|2,0,0]=4 22186 B14R1.232 CCCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000210210 [0,2,0,0,0,0|2,0,0]=4 22187 B14R1.232 CCCCNCc1ccc(c(c1)O)F 34a_100160469508_100000210210 [0,2,0,0,0,0|2,0,0]=4 22188 B14R1.232 CCCCNCc1ccc(c(c1)O)O 34a_100000010075_100000210210 [0,2,0,0,0,0|2,0,0]=4 22189 B14R1.232 CCCCOCc1ccc(c(c1)Br)Br 34a_100000210227_100012353900 [0,2,0,0,0,0|2,0,0]=4 22190 B14R1.232 CCCCOCc1ccc(c(c1)Br)Br 7a_100000210227_100012353900 [0,2,0,0,0,0|2,0,0]=4 22191 B14R1.232 CCCCOCc1ccc(c(c1)Br)C 34a_100000210227_100012232412 [0,2,0,0,0,0|2,0,0]=4 22192 B14R1.232 CCCCOCc1ccc(c(c1)Br)C 34a_100000708995_100000210210 [0,2,0,0,0,0|2,0,0]=4 22193 B14R1.232 CCCCOCc1ccc(c(c1)Br)C 7a_100000210227_100012232412 [0,2,0,0,0,0|2,0,0]=4 22194 B14R1.232 CCCCOCc1ccc(c(c1)Br)C 7a_100000708995_100000210211 [0,2,0,0,0,0|2,0,0]=4 22195 B14R1.232 CCCCOCc1ccc(c(c1)Br)Cl 34a_100000210227_100012353894 [0,2,0,0,0,0|2,0,0]=4 22196 B14R1.232 CCCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000210210 [0,2,0,0,0,0|2,0,0]=4 22197 B14R1.232 CCCCOCc1ccc(c(c1)Br)Cl 7a_100000210227_100012353894 [0,2,0,0,0,0|2,0,0]=4 22198 B14R1.232 CCCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100000210211 [0,2,0,0,0,0|2,0,0]=4 22199 B14R1.232 CCCCOCc1ccc(c(c1)Br)F 34a_100000210227_100011206884 [0,2,0,0,0,0|2,0,0]=4 22200 B14R1.232 CCCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000210210 [0,2,0,0,0,0|2,0,0]=4 22201 B14R1.232 CCCCOCc1ccc(c(c1)Br)F 7a_100000210227_100011206884 [0,2,0,0,0,0|2,0,0]=4 22202 B14R1.232 CCCCOCc1ccc(c(c1)Br)F 7a_100000246287_100000210211 [0,2,0,0,0,0|2,0,0]=4 22203 B14R1.232 CCCCOCc1ccc(c(c1)C)Br 34a_100000210227_100000727479 [0,2,0,0,0,0|2,0,0]=4 22204 B14R1.232 CCCCOCc1ccc(c(c1)C)Br 34a_100000718852_100000210210 [0,2,0,0,0,0|2,0,0]=4 22205 B14R1.232 CCCCOCc1ccc(c(c1)C)Br 7a_100000210227_100000727479 [0,2,0,0,0,0|2,0,0]=4 22206 B14R1.232 CCCCOCc1ccc(c(c1)C)Br 7a_100000718852_100000210211 [0,2,0,0,0,0|2,0,0]=4 22207 B14R1.232 CCCCOCc1ccc(c(c1)C)C 34a_100000210227_100000742320 [0,2,0,0,0,0|2,0,0]=4 22208 B14R1.232 CCCCOCc1ccc(c(c1)C)C 34a_100011215342_100000210210 [0,2,0,0,0,0|2,0,0]=4 22209 B14R1.232 CCCCOCc1ccc(c(c1)C)C 7a_100000210227_100000742320 [0,2,0,0,0,0|2,0,0]=4 22210 B14R1.232 CCCCOCc1ccc(c(c1)C)C 7a_100011215342_100000210211 [0,2,0,0,0,0|2,0,0]=4 22211 B14R1.232 CCCCOCc1ccc(c(c1)C)Cl 34a_100000210227_100012184735 [0,2,0,0,0,0|2,0,0]=4 22212 B14R1.232 CCCCOCc1ccc(c(c1)C)Cl 7a_100000210227_100012184735 [0,2,0,0,0,0|2,0,0]=4 22213 B14R1.232 CCCCOCc1ccc(c(c1)C)F 34a_100000210227_100011216667 [0,2,0,0,0,0|2,0,0]=4 22214 B14R1.232 CCCCOCc1ccc(c(c1)C)F 34a_100011219793_100000210210 [0,2,0,0,0,0|2,0,0]=4 22215 B14R1.232 CCCCOCc1ccc(c(c1)C)F 7a_100000210227_100011216667 [0,2,0,0,0,0|2,0,0]=4 22216 B14R1.232 CCCCOCc1ccc(c(c1)C)F 7a_100011219793_100000210211 [0,2,0,0,0,0|2,0,0]=4 22217 B14R1.232 CCCCOCc1ccc(c(c1)C)N 34a_200011997030_100000210210 [0,2,0,0,0,0|2,0,0]=4 22218 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Br 34a_100000210227_100012353895 [0,2,0,0,0,0|2,0,0]=4 22219 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000210210 [0,2,0,0,0,0|2,0,0]=4 22220 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Br 7a_100000210227_100012353895 [0,2,0,0,0,0|2,0,0]=4 22221 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100000210211 [0,2,0,0,0,0|2,0,0]=4 22222 B14R1.232 CCCCOCc1ccc(c(c1)Cl)C 34a_100000210227_100011823929 [0,2,0,0,0,0|2,0,0]=4 22223 B14R1.232 CCCCOCc1ccc(c(c1)Cl)C 34a_100011290783_100000210210 [0,2,0,0,0,0|2,0,0]=4 22224 B14R1.232 CCCCOCc1ccc(c(c1)Cl)C 7a_100000210227_100011823929 [0,2,0,0,0,0|2,0,0]=4 22225 B14R1.232 CCCCOCc1ccc(c(c1)Cl)C 7a_100011290783_100000210211 [0,2,0,0,0,0|2,0,0]=4 22226 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Cl 34a_100000210227_100000184707 [0,2,0,0,0,0|2,0,0]=4 22227 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000210210 [0,2,0,0,0,0|2,0,0]=4 22228 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Cl 7a_100000210227_100000184707 [0,2,0,0,0,0|2,0,0]=4 22229 B14R1.232 CCCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100000210211 [0,2,0,0,0,0|2,0,0]=4 22230 B14R1.232 CCCCOCc1ccc(c(c1)Cl)F 34a_100000210227_100011934319 [0,2,0,0,0,0|2,0,0]=4 22231 B14R1.232 CCCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000210210 [0,2,0,0,0,0|2,0,0]=4 22232 B14R1.232 CCCCOCc1ccc(c(c1)Cl)F 7a_100000210227_100000717365 [0,2,0,0,0,0|2,0,0]=4 22233 B14R1.232 CCCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100000210211 [0,2,0,0,0,0|2,0,0]=4 22234 B14R1.232 CCCCOCc1ccc(c(c1)Cl)I 34a_100000210227_100012349665 [0,2,0,0,0,0|2,0,0]=4 22235 B14R1.232 CCCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000210210 [0,2,0,0,0,0|2,0,0]=4 22236 B14R1.232 CCCCOCc1ccc(c(c1)Cl)I 7a_100000210227_100012349665 [0,2,0,0,0,0|2,0,0]=4 22237 B14R1.232 CCCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100000210211 [0,2,0,0,0,0|2,0,0]=4 22238 B14R1.232 CCCCOCc1ccc(c(c1)F)Br 34a_100000210227_100000767054 [0,2,0,0,0,0|2,0,0]=4 22239 B14R1.232 CCCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000210210 [0,2,0,0,0,0|2,0,0]=4 22240 B14R1.232 CCCCOCc1ccc(c(c1)F)Br 7a_100000210227_100000767054 [0,2,0,0,0,0|2,0,0]=4 22241 B14R1.232 CCCCOCc1ccc(c(c1)F)Br 7a_100011533735_100000210211 [0,2,0,0,0,0|2,0,0]=4 22242 B14R1.232 CCCCOCc1ccc(c(c1)F)C 34a_100000210227_100011217369 [0,2,0,0,0,0|2,0,0]=4 22243 B14R1.232 CCCCOCc1ccc(c(c1)F)C 34a_100000702247_100000210210 [0,2,0,0,0,0|2,0,0]=4 22244 B14R1.232 CCCCOCc1ccc(c(c1)F)C 7a_100000210227_100011217369 [0,2,0,0,0,0|2,0,0]=4 22245 B14R1.232 CCCCOCc1ccc(c(c1)F)C 7a_100000702247_100000210211 [0,2,0,0,0,0|2,0,0]=4 22246 B14R1.232 CCCCOCc1ccc(c(c1)F)Cl 34a_100000210227_100011519011 [0,2,0,0,0,0|2,0,0]=4 22247 B14R1.232 CCCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000210210 [0,2,0,0,0,0|2,0,0]=4 22248 B14R1.232 CCCCOCc1ccc(c(c1)F)Cl 7a_100000210227_100000716492 [0,2,0,0,0,0|2,0,0]=4 22249 B14R1.232 CCCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100000210211 [0,2,0,0,0,0|2,0,0]=4 22250 B14R1.232 CCCCOCc1ccc(c(c1)F)F 34a_100000210227_100000757363 [0,2,0,0,0,0|2,0,0]=4 22251 B14R1.232 CCCCOCc1ccc(c(c1)F)F 34a_100011215442_100000210210 [0,2,0,0,0,0|2,0,0]=4 22252 B14R1.232 CCCCOCc1ccc(c(c1)F)F 7a_100000210227_100000757363 [0,2,0,0,0,0|2,0,0]=4 22253 B14R1.232 CCCCOCc1ccc(c(c1)F)F 7a_100011215442_100000210211 [0,2,0,0,0,0|2,0,0]=4 22254 B14R1.232 CCCCOCc1ccc(c(c1)F)I 34a_100000210227_100010149604 [0,2,0,0,0,0|2,0,0]=4 22255 B14R1.232 CCCCOCc1ccc(c(c1)F)I 34a_100010149597_100000210210 [0,2,0,0,0,0|2,0,0]=4 22256 B14R1.232 CCCCOCc1ccc(c(c1)F)I 7a_100000210227_100010149604 [0,2,0,0,0,0|2,0,0]=4 22257 B14R1.232 CCCCOCc1ccc(c(c1)F)I 7a_100010149597_100000210211 [0,2,0,0,0,0|2,0,0]=4 22258 B14R1.232 CCCCOCc1ccc(c(c1)F)N 34a_100011217239_100000210210 [0,2,0,0,0,0|2,0,0]=4 22259 B14R1.232 CCCCOCc1ccc(c(c1)I)Br 34a_100000210227_100010146616 [0,2,0,0,0,0|2,0,0]=4 22260 B14R1.232 CCCCOCc1ccc(c(c1)I)Br 7a_100000210227_100010146616 [0,2,0,0,0,0|2,0,0]=4 22261 B14R1.232 CCCCOCc1ccc(c(c1)I)C 34a_100000050133_100000210210 [0,2,0,0,0,0|2,0,0]=4 22262 B14R1.232 CCCCOCc1ccc(c(c1)I)C 34a_100000210227_100010206137 [0,2,0,0,0,0|2,0,0]=4 22263 B14R1.232 CCCCOCc1ccc(c(c1)I)C 7a_100000050133_100000210211 [0,2,0,0,0,0|2,0,0]=4 22264 B14R1.232 CCCCOCc1ccc(c(c1)I)C 7a_100000210227_100010206137 [0,2,0,0,0,0|2,0,0]=4 22265 B14R1.232 CCCCOCc1ccc(c(c1)I)F 34a_100000049585_100000210210 [0,2,0,0,0,0|2,0,0]=4 22266 B14R1.232 CCCCOCc1ccc(c(c1)I)F 34a_100000210227_100010188208 [0,2,0,0,0,0|2,0,0]=4 22267 B14R1.232 CCCCOCc1ccc(c(c1)I)F 7a_100000049585_100000210211 [0,2,0,0,0,0|2,0,0]=4 22268 B14R1.232 CCCCOCc1ccc(c(c1)I)F 7a_100000210227_100010188208 [0,2,0,0,0,0|2,0,0]=4 22269 B14R1.232 CCCCOCc1ccc(c(c1)N)Br 34a_100012347568_100000210210 [0,2,0,0,0,0|2,0,0]=4 22270 B14R1.232 CCCCOCc1ccc(c(c1)N)C 34a_100000758420_100000210210 [0,2,0,0,0,0|2,0,0]=4 22271 B14R1.232 CCCCOCc1ccc(c(c1)N)Cl 34a_106256033963_100000210210 [0,2,0,0,0,0|2,0,0]=4 22272 B14R1.232 CCCCOCc1ccc(c(c1)N)F 34a_102125399562_100000210210 [0,2,0,0,0,0|2,0,0]=4 22273 B14R1.232 CCCCSCc1ccc(c(c1)Br)Br 62a_100000210211_100012353900 [0,2,0,0,0,0|2,0,0]=4 22274 B14R1.232 CCCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100000210210 [0,2,0,0,0,0|2,0,0]=4 22275 B14R1.232 CCCCSCc1ccc(c(c1)Br)C 62a_100000210211_100012232412 [0,2,0,0,0,0|2,0,0]=4 22276 B14R1.232 CCCCSCc1ccc(c(c1)Br)C 62a_100012232412_100000210210 [0,2,0,0,0,0|2,0,0]=4 22277 B14R1.232 CCCCSCc1ccc(c(c1)Br)Cl 62a_100000210211_100012353894 [0,2,0,0,0,0|2,0,0]=4 22278 B14R1.232 CCCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100000210210 [0,2,0,0,0,0|2,0,0]=4 22279 B14R1.232 CCCCSCc1ccc(c(c1)Br)F 62a_100000210211_100011206884 [0,2,0,0,0,0|2,0,0]=4 22280 B14R1.232 CCCCSCc1ccc(c(c1)Br)F 62a_100011206884_100000210210 [0,2,0,0,0,0|2,0,0]=4 22281 B14R1.232 CCCCSCc1ccc(c(c1)C)Br 62a_100000210211_100000727479 [0,2,0,0,0,0|2,0,0]=4 22282 B14R1.232 CCCCSCc1ccc(c(c1)C)Br 62a_100000727479_100000210210 [0,2,0,0,0,0|2,0,0]=4 22283 B14R1.232 CCCCSCc1ccc(c(c1)C)C 62a_100000210211_100000742320 [0,2,0,0,0,0|2,0,0]=4 22284 B14R1.232 CCCCSCc1ccc(c(c1)C)C 62a_100000742320_100000210210 [0,2,0,0,0,0|2,0,0]=4 22285 B14R1.232 CCCCSCc1ccc(c(c1)C)Cl 62a_100000210211_100012184735 [0,2,0,0,0,0|2,0,0]=4 22286 B14R1.232 CCCCSCc1ccc(c(c1)C)Cl 62a_100012184735_100000210210 [0,2,0,0,0,0|2,0,0]=4 22287 B14R1.232 CCCCSCc1ccc(c(c1)C)F 62a_100000210211_100011216667 [0,2,0,0,0,0|2,0,0]=4 22288 B14R1.232 CCCCSCc1ccc(c(c1)C)F 62a_100011216667_100000210210 [0,2,0,0,0,0|2,0,0]=4 22289 B14R1.232 CCCCSCc1ccc(c(c1)Cl)Br 62a_100000210211_100012353895 [0,2,0,0,0,0|2,0,0]=4 22290 B14R1.232 CCCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100000210210 [0,2,0,0,0,0|2,0,0]=4 22291 B14R1.232 CCCCSCc1ccc(c(c1)Cl)C 62a_100000210211_100011823929 [0,2,0,0,0,0|2,0,0]=4 22292 B14R1.232 CCCCSCc1ccc(c(c1)Cl)C 62a_100011823929_100000210210 [0,2,0,0,0,0|2,0,0]=4 22293 B14R1.232 CCCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100000210210 [0,2,0,0,0,0|2,0,0]=4 22294 B14R1.232 CCCCSCc1ccc(c(c1)Cl)Cl 62a_100000210211_100000184707 [0,2,0,0,0,0|2,0,0]=4 22295 B14R1.232 CCCCSCc1ccc(c(c1)Cl)F 62a_100000210211_100011934319 [0,2,0,0,0,0|2,0,0]=4 22296 B14R1.232 CCCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100000210210 [0,2,0,0,0,0|2,0,0]=4 22297 B14R1.232 CCCCSCc1ccc(c(c1)Cl)I 62a_100000210211_100012349665 [0,2,0,0,0,0|2,0,0]=4 22298 B14R1.232 CCCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100000210210 [0,2,0,0,0,0|2,0,0]=4 22299 B14R1.232 CCCCSCc1ccc(c(c1)F)Br 62a_100000210211_100000767054 [0,2,0,0,0,0|2,0,0]=4 22300 B14R1.232 CCCCSCc1ccc(c(c1)F)Br 62a_100000767054_100000210210 [0,2,0,0,0,0|2,0,0]=4 22301 B14R1.232 CCCCSCc1ccc(c(c1)F)C 62a_100000210211_100011217369 [0,2,0,0,0,0|2,0,0]=4 22302 B14R1.232 CCCCSCc1ccc(c(c1)F)C 62a_100011217369_100000210210 [0,2,0,0,0,0|2,0,0]=4 22303 B14R1.232 CCCCSCc1ccc(c(c1)F)Cl 62a_100000210211_100000716492 [0,2,0,0,0,0|2,0,0]=4 22304 B14R1.232 CCCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100000210210 [0,2,0,0,0,0|2,0,0]=4 22305 B14R1.232 CCCCSCc1ccc(c(c1)F)F 62a_100000210211_100000757363 [0,2,0,0,0,0|2,0,0]=4 22306 B14R1.232 CCCCSCc1ccc(c(c1)F)F 62a_100000757363_100000210210 [0,2,0,0,0,0|2,0,0]=4 22307 B14R1.232 CCCCSCc1ccc(c(c1)F)I 62a_100000210211_100010149604 [0,2,0,0,0,0|2,0,0]=4 22308 B14R1.232 CCCCSCc1ccc(c(c1)F)I 62a_100010149604_100000210210 [0,2,0,0,0,0|2,0,0]=4 22309 B14R1.232 CCCCSCc1ccc(c(c1)I)Br 62a_100000210211_100010146616 [0,2,0,0,0,0|2,0,0]=4 22310 B14R1.232 CCCCSCc1ccc(c(c1)I)Br 62a_100010146616_100000210210 [0,2,0,0,0,0|2,0,0]=4 22311 B14R1.232 CCCCSCc1ccc(c(c1)I)C 62a_100000210211_100010206137 [0,2,0,0,0,0|2,0,0]=4 22312 B14R1.232 CCCCSCc1ccc(c(c1)I)C 62a_100010206137_100000210210 [0,2,0,0,0,0|2,0,0]=4 22313 B14R1.232 CCCCSCc1ccc(c(c1)I)F 62a_100000210211_100010188208 [0,2,0,0,0,0|2,0,0]=4 22314 B14R1.232 CCCCSCc1ccc(c(c1)I)F 62a_100010188208_100000210210 [0,2,0,0,0,0|2,0,0]=4 22315 B14R1.232 CCCNCCc1ccc(c(c1)C)C 2230a_100020591374_100000210303 [0,2,0,0,0,0|2,0,0]=4 22316 B14R1.232 CCCNCCc1ccc(c(c1)C)C 34a_100020591374_100000210303 [0,2,0,0,0,0|2,0,0]=4 22317 B14R1.232 CCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000210303 [0,2,0,0,0,0|2,0,0]=4 22318 B14R1.232 CCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000210303 [0,2,0,0,0,0|2,0,0]=4 22319 B14R1.232 CCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000210303 [0,2,0,0,0,0|2,0,0]=4 22320 B14R1.232 CCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000210303 [0,2,0,0,0,0|2,0,0]=4 22321 B14R1.232 CCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000210303 [0,2,0,0,0,0|2,0,0]=4 22322 B14R1.232 CCCNCCc1ccc(c(c1)F)F 34a_200000706328_100000210303 [0,2,0,0,0,0|2,0,0]=4 22323 B14R1.232 CCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000210303 [0,2,0,0,0,0|2,0,0]=4 22324 B14R1.232 CCCOCCc1ccc(c(c1)Cl)Cl 34a_100000210258_100011713676 [0,2,0,0,0,0|2,0,0]=4 22325 B14R1.232 CCCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000210303 [0,2,0,0,0,0|2,0,0]=4 22326 B14R1.232 CCCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000210303 [0,2,0,0,0,0|2,0,0]=4 22327 B14R1.232 CCCOCCc1ccc(c(c1)Cl)F 34a_100000210258_100012361305 [0,2,0,0,0,0|2,0,0]=4 22328 B14R1.232 CCCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100000210303 [0,2,0,0,0,0|2,0,0]=4 22329 B14R1.232 CCCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100000210303 [0,2,0,0,0,0|2,0,0]=4 22330 B14R1.232 CCCOCCc1ccc(c(c1)F)Br 34a_100012921202_100000210303 [0,2,0,0,0,0|2,0,0]=4 22331 B14R1.232 CCCOCCc1ccc(c(c1)F)Br 7a_100012921202_100000210303 [0,2,0,0,0,0|2,0,0]=4 22332 B14R1.232 CCCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100000210303 [0,2,0,0,0,0|2,0,0]=4 22333 B14R1.232 CCCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100000210303 [0,2,0,0,0,0|2,0,0]=4 22334 B14R1.232 CCCOCCc1ccc(c(c1)F)F 34a_100000210258_100000690553 [0,2,0,0,0,0|2,0,0]=4 22335 B14R1.232 CCCOCCc1ccc(c(c1)F)F 34a_100000690376_100000210303 [0,2,0,0,0,0|2,0,0]=4 22336 B14R1.232 CCCOCCc1ccc(c(c1)F)F 7a_100000690376_100000210303 [0,2,0,0,0,0|2,0,0]=4 22337 B14R1.232 CCCSCCc1ccc(c(c1)Cl)Cl 62a_100000210303_100011713676 [0,2,0,0,0,0|2,0,0]=4 22338 B14R1.232 CCCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000210303 [0,2,0,0,0,0|2,0,0]=4 22339 B14R1.232 CCCSCCc1ccc(c(c1)Cl)F 62a_100000210303_100012361305 [0,2,0,0,0,0|2,0,0]=4 22340 B14R1.232 CCCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100000210303 [0,2,0,0,0,0|2,0,0]=4 22341 B14R1.232 CCCSCCc1ccc(c(c1)F)F 62a_100000210303_100000690553 [0,2,0,0,0,0|2,0,0]=4 22342 B14R1.232 CCCSCCc1ccc(c(c1)F)F 62a_100000690553_100000210303 [0,2,0,0,0,0|2,0,0]=4 22343 B14R1.232 CCCSCCc1ccc(c(c1)O)O 62a_100000210303_200010393615 [0,2,0,0,0,0|2,0,0]=4 22344 B14R1.232 Cc1cc(ccc1Br)CNCCCF 207a_100015189416_100000765772 [0,2,0,0,0,0|2,0,0]=4 22345 B14R1.232 Cc1cc(ccc1Br)CNCCCF 2230a_100015189416_100000727479 [0,2,0,0,0,0|2,0,0]=4 22346 B14R1.232 Cc1cc(ccc1Br)CNCCCF 2230a_100015205234_100011934791 [0,2,0,0,0,0|2,0,0]=4 22347 B14R1.232 Cc1cc(ccc1Br)CNCCCF 270004a_100015189416_100000765772 [0,2,0,0,0,0|2,0,0]=4 22348 B14R1.232 Cc1cc(ccc1Br)CNCCCF 34a_100015189416_100000727479 [0,2,0,0,0,0|2,0,0]=4 22349 B14R1.232 Cc1cc(ccc1Br)CNCCCF 34a_100015205234_100011934791 [0,2,0,0,0,0|2,0,0]=4 22350 B14R1.232 Cc1cc(ccc1Br)CNCCCO 207a_100000182051_100000765772 [0,2,0,0,0,0|1,0,0]=3 22351 B14R1.232 Cc1cc(ccc1Br)CNCCCO 2230a_100015205234_100000230001 [0,2,0,0,0,0|1,0,0]=3 22352 B14R1.232 Cc1cc(ccc1Br)CNCCCO 270004a_100000182051_100000765772 [0,2,0,0,0,0|1,0,0]=3 22353 B14R1.232 Cc1cc(ccc1Br)CNCCCO 34a_100015205234_100000230001 [0,2,0,0,0,0|1,0,0]=3 22354 B14R1.232 Cc1cc(ccc1Br)COCCCBr 34a_100011217188_100000727479 [0,2,0,0,0,0|2,0,0]=4 22355 B14R1.232 Cc1cc(ccc1Br)COCCCCl 34a_100000230001_100000727479 [0,2,0,0,0,0|2,0,0]=4 22356 B14R1.232 Cc1cc(ccc1Br)COCCCF 34a_100000718852_100011934791 [0,2,0,0,0,0|2,0,0]=4 22357 B14R1.232 Cc1cc(ccc1Br)COCCCF 34a_100000759539_100000727479 [0,2,0,0,0,0|2,0,0]=4 22358 B14R1.232 Cc1cc(ccc1Br)COCCCF 7a_100000718852_100011934791 [0,2,0,0,0,0|2,0,0]=4 22359 B14R1.232 Cc1cc(ccc1Br)COCCCN 34a_100000182051_100000727479 [0,2,0,0,0,0|2,0,0]=4 22360 B14R1.232 Cc1cc(ccc1Br)COCCCO 34a_100000718852_100000230001 [0,2,0,0,0,0|1,0,0]=3 22361 B14R1.232 Cc1cc(ccc1Br)COCCCO 7a_100000718852_100011215043 [0,2,0,0,0,0|1,0,0]=3 22362 B14R1.232 Cc1cc(ccc1Br)CSCCCF 62a_100000727479_100011934791 [0,2,0,0,0,0|2,0,0]=4 22363 B14R1.232 Cc1cc(ccc1Br)CSCCCF 62a_100011934791_100000727479 [0,2,0,0,0,0|2,0,0]=4 22364 B14R1.232 Cc1cc(ccc1Br)CSCCCO 62a_100000727479_100011215043 [0,2,0,0,0,0|1,0,0]=3 22365 B14R1.232 Cc1cc(ccc1Br)CSCCCO 62a_100011215043_100000727479 [0,2,0,0,0,0|1,0,0]=3 22366 B14R1.232 Cc1cc(ccc1Br)NCCCCF 2230a_100000210723_100000729493 [0,2,0,0,0,0|2,0,0]=4 22367 B14R1.232 Cc1cc(ccc1Br)NCCCCF 34a_100000210723_100000729493 [0,2,0,0,0,0|2,0,0]=4 22368 B14R1.232 Cc1cc(ccc1Br)NCCCCF 7a_100000210723_100000729493 [0,2,0,0,0,0|2,0,0]=4 22369 B14R1.232 Cc1cc(ccc1Br)NCCCCO 2230a_100000210723_100000210776 [0,2,0,0,0,0|1,0,0]=3 22370 B14R1.232 Cc1cc(ccc1Br)NCCCCO 34a_100000210723_100011216708 [0,2,0,0,0,0|1,0,0]=3 22371 B14R1.232 Cc1cc(ccc1Br)NCCCCO 7a_100000210723_100000210776 [0,2,0,0,0,0|1,0,0]=3 22372 B14R1.232 Cc1cc(ccc1Br)OCCCCF 34a_100000690111_100000729493 [0,2,0,0,0,0|2,0,0]=4 22373 B14R1.232 Cc1cc(ccc1Br)OCCCCF 7a_100000690111_100000729493 [0,2,0,0,0,0|2,0,0]=4 22374 B14R1.232 Cc1cc(ccc1Br)OCCCCO 34a_100000690111_100011216708 [0,2,0,0,0,0|1,0,0]=3 22375 B14R1.232 Cc1cc(ccc1Br)OCCCCO 7a_100000690111_100000210776 [0,2,0,0,0,0|1,0,0]=3 22376 B14R1.232 Cc1cc(ccc1Br)SCCCCF 62a_100000729493_100009813585 [0,2,0,0,0,0|2,0,0]=4 22377 B14R1.232 Cc1cc(ccc1Br)SCCCCF 62a_100009813585_100000729493 [0,2,0,0,0,0|2,0,0]=4 22378 B14R1.232 Cc1cc(ccc1Br)SCCCCO 62a_100000210776_100009813585 [0,2,0,0,0,0|1,0,0]=3 22379 B14R1.232 Cc1cc(ccc1Br)SCCCCO 62a_100009813585_100000210776 [0,2,0,0,0,0|1,0,0]=3 22380 B14R1.232 Cc1cc(ccc1Cl)CNCCCF 207a_100015189416_100000698814 [0,2,0,0,0,0|2,0,0]=4 22381 B14R1.232 Cc1cc(ccc1Cl)CNCCCF 2230a_100015189416_100012184735 [0,2,0,0,0,0|2,0,0]=4 22382 B14R1.232 Cc1cc(ccc1Cl)CNCCCF 270004a_100015189416_100000698814 [0,2,0,0,0,0|2,0,0]=4 22383 B14R1.232 Cc1cc(ccc1Cl)CNCCCF 34a_100015189416_100012184735 [0,2,0,0,0,0|2,0,0]=4 22384 B14R1.232 Cc1cc(ccc1Cl)CNCCCO 207a_100000182051_100000698814 [0,2,0,0,0,0|1,0,0]=3 22385 B14R1.232 Cc1cc(ccc1Cl)CNCCCO 270004a_100000182051_100000698814 [0,2,0,0,0,0|1,0,0]=3 22386 B14R1.232 Cc1cc(ccc1Cl)COCCCBr 34a_100011217188_100012184735 [0,2,0,0,0,0|2,0,0]=4 22387 B14R1.232 Cc1cc(ccc1Cl)COCCCCl 34a_100000230001_100012184735 [0,2,0,0,0,0|2,0,0]=4 22388 B14R1.232 Cc1cc(ccc1Cl)COCCCF 34a_100000759539_100012184735 [0,2,0,0,0,0|2,0,0]=4 22389 B14R1.232 Cc1cc(ccc1Cl)COCCCN 34a_100000182051_100012184735 [0,2,0,0,0,0|2,0,0]=4 22390 B14R1.232 Cc1cc(ccc1Cl)CSCCCF 62a_100011934791_100012184735 [0,2,0,0,0,0|2,0,0]=4 22391 B14R1.232 Cc1cc(ccc1Cl)CSCCCF 62a_100012184735_100011934791 [0,2,0,0,0,0|2,0,0]=4 22392 B14R1.232 Cc1cc(ccc1Cl)CSCCCO 62a_100011215043_100012184735 [0,2,0,0,0,0|1,0,0]=3 22393 B14R1.232 Cc1cc(ccc1Cl)CSCCCO 62a_100012184735_100011215043 [0,2,0,0,0,0|1,0,0]=3 22394 B14R1.232 Cc1cc(ccc1Cl)NCCCCF 2230a_100000187808_100000729493 [0,2,0,0,0,0|2,0,0]=4 22395 B14R1.232 Cc1cc(ccc1Cl)NCCCCF 34a_100000187808_100000729493 [0,2,0,0,0,0|2,0,0]=4 22396 B14R1.232 Cc1cc(ccc1Cl)NCCCCF 7a_100000187808_100000729493 [0,2,0,0,0,0|2,0,0]=4 22397 B14R1.232 Cc1cc(ccc1Cl)NCCCCO 2230a_100000187808_100000210776 [0,2,0,0,0,0|1,0,0]=3 22398 B14R1.232 Cc1cc(ccc1Cl)NCCCCO 34a_100000187808_100011216708 [0,2,0,0,0,0|1,0,0]=3 22399 B14R1.232 Cc1cc(ccc1Cl)NCCCCO 7a_100000187808_100000210776 [0,2,0,0,0,0|1,0,0]=3 22400 B14R1.232 Cc1cc(ccc1Cl)OCCCCF 34a_100000211092_100000729493 [0,2,0,0,0,0|2,0,0]=4 22401 B14R1.232 Cc1cc(ccc1Cl)OCCCCF 7a_100000211092_100000729493 [0,2,0,0,0,0|2,0,0]=4 22402 B14R1.232 Cc1cc(ccc1Cl)OCCCCO 34a_100000211092_100011216708 [0,2,0,0,0,0|1,0,0]=3 22403 B14R1.232 Cc1cc(ccc1Cl)OCCCCO 7a_100000211092_100000210776 [0,2,0,0,0,0|1,0,0]=3 22404 B14R1.232 Cc1cc(ccc1Cl)SCCCCF 62a_100000049509_100000729493 [0,2,0,0,0,0|2,0,0]=4 22405 B14R1.232 Cc1cc(ccc1Cl)SCCCCF 62a_100000729493_100000049509 [0,2,0,0,0,0|2,0,0]=4 22406 B14R1.232 Cc1cc(ccc1Cl)SCCCCO 62a_100000049509_100000210776 [0,2,0,0,0,0|1,0,0]=3 22407 B14R1.232 Cc1cc(ccc1Cl)SCCCCO 62a_100000210776_100000049509 [0,2,0,0,0,0|1,0,0]=3 22408 B14R1.232 Cc1cc(ccc1F)CNCCCF 207a_100015189416_100000748208 [0,2,0,0,0,0|2,0,0]=4 22409 B14R1.232 Cc1cc(ccc1F)CNCCCF 2230a_100000239911_100011934791 [0,2,0,0,0,0|2,0,0]=4 22410 B14R1.232 Cc1cc(ccc1F)CNCCCF 2230a_100015189416_100011216667 [0,2,0,0,0,0|2,0,0]=4 22411 B14R1.232 Cc1cc(ccc1F)CNCCCF 270004a_100015189416_100000748208 [0,2,0,0,0,0|2,0,0]=4 22412 B14R1.232 Cc1cc(ccc1F)CNCCCF 34a_100000239911_100011934791 [0,2,0,0,0,0|2,0,0]=4 22413 B14R1.232 Cc1cc(ccc1F)CNCCCF 34a_100015189416_100011216667 [0,2,0,0,0,0|2,0,0]=4 22414 B14R1.232 Cc1cc(ccc1F)CNCCCO 207a_100000182051_100000748208 [0,2,0,0,0,0|1,0,0]=3 22415 B14R1.232 Cc1cc(ccc1F)CNCCCO 2230a_100000239911_100000230001 [0,2,0,0,0,0|1,0,0]=3 22416 B14R1.232 Cc1cc(ccc1F)CNCCCO 270004a_100000182051_100000748208 [0,2,0,0,0,0|1,0,0]=3 22417 B14R1.232 Cc1cc(ccc1F)CNCCCO 34a_100000239911_100000230001 [0,2,0,0,0,0|1,0,0]=3 22418 B14R1.232 Cc1cc(ccc1F)COCCCBr 34a_100011217188_100011216667 [0,2,0,0,0,0|2,0,0]=4 22419 B14R1.232 Cc1cc(ccc1F)COCCCCl 34a_100000230001_100011216667 [0,2,0,0,0,0|2,0,0]=4 22420 B14R1.232 Cc1cc(ccc1F)COCCCF 34a_100000759539_100011216667 [0,2,0,0,0,0|2,0,0]=4 22421 B14R1.232 Cc1cc(ccc1F)COCCCF 34a_100011219793_100011934791 [0,2,0,0,0,0|2,0,0]=4 22422 B14R1.232 Cc1cc(ccc1F)COCCCF 7a_100011219793_100011934791 [0,2,0,0,0,0|2,0,0]=4 22423 B14R1.232 Cc1cc(ccc1F)COCCCN 34a_100000182051_100011216667 [0,2,0,0,0,0|2,0,0]=4 22424 B14R1.232 Cc1cc(ccc1F)COCCCO 34a_100011219793_100000230001 [0,2,0,0,0,0|1,0,0]=3 22425 B14R1.232 Cc1cc(ccc1F)COCCCO 7a_100011219793_100011215043 [0,2,0,0,0,0|1,0,0]=3 22426 B14R1.232 Cc1cc(ccc1F)CSCCCF 62a_100011216667_100011934791 [0,2,0,0,0,0|2,0,0]=4 22427 B14R1.232 Cc1cc(ccc1F)CSCCCF 62a_100011934791_100011216667 [0,2,0,0,0,0|2,0,0]=4 22428 B14R1.232 Cc1cc(ccc1F)CSCCCO 62a_100011215043_100011216667 [0,2,0,0,0,0|1,0,0]=3 22429 B14R1.232 Cc1cc(ccc1F)CSCCCO 62a_100011216667_100011215043 [0,2,0,0,0,0|1,0,0]=3 22430 B14R1.232 Cc1cc(ccc1F)NCCCCF 2230a_100000750164_100000729493 [0,2,0,0,0,0|2,0,0]=4 22431 B14R1.232 Cc1cc(ccc1F)NCCCCF 34a_100000750164_100000729493 [0,2,0,0,0,0|2,0,0]=4 22432 B14R1.232 Cc1cc(ccc1F)NCCCCF 7a_100000750164_100000729493 [0,2,0,0,0,0|2,0,0]=4 22433 B14R1.232 Cc1cc(ccc1F)NCCCCO 2230a_100000750164_100000210776 [0,2,0,0,0,0|1,0,0]=3 22434 B14R1.232 Cc1cc(ccc1F)NCCCCO 34a_100000750164_100011216708 [0,2,0,0,0,0|1,0,0]=3 22435 B14R1.232 Cc1cc(ccc1F)NCCCCO 7a_100000750164_100000210776 [0,2,0,0,0,0|1,0,0]=3 22436 B14R1.232 Cc1cc(ccc1F)OCCCCF 34a_100000751312_100000729493 [0,2,0,0,0,0|2,0,0]=4 22437 B14R1.232 Cc1cc(ccc1F)OCCCCF 7a_100000751312_100000729493 [0,2,0,0,0,0|2,0,0]=4 22438 B14R1.232 Cc1cc(ccc1F)OCCCCO 34a_100000751312_100011216708 [0,2,0,0,0,0|1,0,0]=3 22439 B14R1.232 Cc1cc(ccc1F)OCCCCO 7a_100000751312_100000210776 [0,2,0,0,0,0|1,0,0]=3 22440 B14R1.232 Cc1cc(ccc1F)SCCCCF 62a_100000729493_100011218330 [0,2,0,0,0,0|2,0,0]=4 22441 B14R1.232 Cc1cc(ccc1F)SCCCCF 62a_100011218330_100000729493 [0,2,0,0,0,0|2,0,0]=4 22442 B14R1.232 Cc1cc(ccc1F)SCCCCO 62a_100000210776_100011218330 [0,2,0,0,0,0|1,0,0]=3 22443 B14R1.232 Cc1cc(ccc1F)SCCCCO 62a_100011218330_100000210776 [0,2,0,0,0,0|1,0,0]=3 22444 B14R1.232 Cc1cc(ccc1I)NCCCCF 34a_100000198070_100000729493 [0,2,0,0,0,0|2,0,0]=4 22445 B14R1.232 Cc1cc(ccc1I)NCCCCF 7a_100000198070_100000729493 [0,2,0,0,0,0|2,0,0]=4 22446 B14R1.232 Cc1cc(ccc1I)NCCCCO 34a_100000198070_100011216708 [0,2,0,0,0,0|1,0,0]=3 22447 B14R1.232 Cc1cc(ccc1I)NCCCCO 7a_100000198070_100000210776 [0,2,0,0,0,0|1,0,0]=3 22448 B14R1.232 Cc1cc(ccc1I)OCCCCF 34a_100000729255_100000729493 [0,2,0,0,0,0|2,0,0]=4 22449 B14R1.232 Cc1cc(ccc1I)OCCCCF 7a_100000729255_100000729493 [0,2,0,0,0,0|2,0,0]=4 22450 B14R1.232 Cc1cc(ccc1I)OCCCCO 34a_100000729255_100011216708 [0,2,0,0,0,0|1,0,0]=3 22451 B14R1.232 Cc1cc(ccc1I)OCCCCO 7a_100000729255_100000210776 [0,2,0,0,0,0|1,0,0]=3 22452 B14R1.232 Cc1cc(ccc1N)COCCCF 34a_200011997030_100011934791 [0,2,0,0,0,0|2,0,0]=4 22453 B14R1.232 Cc1cc(ccc1N)COCCCO 34a_200011997030_100000230001 [0,2,0,0,0,0|1,0,0]=3 22454 B14R1.232 Cc1cc(ccc1N)OCCCCF 34a_100000756630_100000729493 [0,2,0,0,0,0|2,0,0]=4 22455 B14R1.232 Cc1cc(ccc1N)OCCCCF 7a_100000756630_100000729493 [0,2,0,0,0,0|2,0,0]=4 22456 B14R1.232 Cc1cc(ccc1N)OCCCCO 34a_100000756630_100011216708 [0,2,0,0,0,0|1,0,0]=3 22457 B14R1.232 Cc1cc(ccc1N)OCCCCO 7a_100000756630_100000210776 [0,2,0,0,0,0|1,0,0]=3 22458 B14R1.232 Cc1cc(ccc1N)SCCCCF 62a_100000211769_100000729493 [0,2,0,0,0,0|2,0,0]=4 22459 B14R1.232 Cc1cc(ccc1N)SCCCCF 62a_100000729493_100000211769 [0,2,0,0,0,0|2,0,0]=4 22460 B14R1.232 Cc1cc(ccc1N)SCCCCO 62a_100000210776_100000211769 [0,2,0,0,0,0|1,0,0]=3 22461 B14R1.232 Cc1cc(ccc1N)SCCCCO 62a_100000211769_100000210776 [0,2,0,0,0,0|1,0,0]=3 22462 B14R1.232 Cc1cc(ccc1O)NCCCCF 34a_100011218179_100000729493 [0,2,0,0,0,0|2,0,0]=4 22463 B14R1.232 Cc1cc(ccc1O)NCCCCF 7a_100011218179_100000729493 [0,2,0,0,0,0|2,0,0]=4 22464 B14R1.232 Cc1cc(ccc1O)NCCCCO 34a_100011218179_100011216708 [0,2,0,0,0,0|1,0,0]=3 22465 B14R1.232 Cc1cc(ccc1O)NCCCCO 7a_100011218179_100000210776 [0,2,0,0,0,0|1,0,0]=3 22466 B14R1.232 Cc1cc(ccc1O)SCCCCF 62a_100000729493_100000186361 [0,2,0,0,0,0|2,0,0]=4 22467 B14R1.232 Cc1cc(ccc1O)SCCCCO 62a_100000210776_100000186361 [0,2,0,0,0,0|1,0,0]=3 22468 B14R1.232 Cc1cc(cnc1Br)CNCCCO 270004a_100000182051_100009814818 [0,2,0,0,0,0|2,0,0]=4 22469 B14R1.232 Cc1cc(cnc1Br)OCCCCO 34a_100012000486_100011216708 [0,2,0,0,0,0|2,0,0]=4 22470 B14R1.232 Cc1cc(cnc1Br)OCCCCO 7a_100012000486_100000210776 [0,2,0,0,0,0|2,0,0]=4 22471 B14R1.232 Cc1cc(cnc1Br)SCCCCO 62a_100000210776_100009816107 [0,2,0,0,0,0|2,0,0]=4 22472 B14R1.232 Cc1cc(cnc1Br)SCCCCO 62a_100009816107_100000210776 [0,2,0,0,0,0|2,0,0]=4 22473 B14R1.232 Cc1cc(cnc1C)OCCCCO 34a_100009854398_100011216708 [0,2,0,0,0,0|2,0,0]=4 22474 B14R1.232 Cc1cc(cnc1C)OCCCCO 7a_100009854398_100000210776 [0,2,0,0,0,0|2,0,0]=4 22475 B14R1.232 Cc1cc(cnc1C)SCCCCO 62a_100000210776_100000697892 [0,2,0,0,0,0|2,0,0]=4 22476 B14R1.232 Cc1cc(cnc1C)SCCCCO 62a_100000697892_100000210776 [0,2,0,0,0,0|2,0,0]=4 22477 B14R1.232 Cc1cc(cnc1Cl)CNCCCO 207a_100000182051_100000070293 [0,2,0,0,0,0|2,0,0]=4 22478 B14R1.232 Cc1cc(cnc1Cl)CNCCCO 270004a_100000182051_100000070293 [0,2,0,0,0,0|2,0,0]=4 22479 B14R1.232 Cc1cc(cnc1Cl)COCCCO 34a_200000092119_100000230001 [0,2,0,0,0,0|2,0,0]=4 22480 B14R1.232 Cc1cc(cnc1Cl)COCCCO 7a_200000092119_100011215043 [0,2,0,0,0,0|2,0,0]=4 22481 B14R1.232 Cc1cc(cnc1Cl)OCCCCO 34a_100012002680_100011216708 [0,2,0,0,0,0|2,0,0]=4 22482 B14R1.232 Cc1cc(cnc1Cl)OCCCCO 7a_100012002680_100000210776 [0,2,0,0,0,0|2,0,0]=4 22483 B14R1.232 Cc1cc(cnc1Cl)SCCCCO 62a_100000210776_100009922867 [0,2,0,0,0,0|2,0,0]=4 22484 B14R1.232 Cc1cc(cnc1Cl)SCCCCO 62a_100009922867_100000210776 [0,2,0,0,0,0|2,0,0]=4 22485 B14R1.232 Cc1cc(cnc1F)CNCCCO 270004a_100000182051_100000050577 [0,2,0,0,0,0|2,0,0]=4 22486 B14R1.232 Cc1cc(cnc1F)OCCCCO 34a_100000094615_100011216708 [0,2,0,0,0,0|2,0,0]=4 22487 B14R1.232 Cc1cc(cnc1F)OCCCCO 7a_100000094615_100000210776 [0,2,0,0,0,0|2,0,0]=4 22488 B14R1.232 Cc1cc(cnc1F)SCCCCO 62a_100000210776_100000709442 [0,2,0,0,0,0|2,0,0]=4 22489 B14R1.232 Cc1cc(cnc1F)SCCCCO 62a_100000709442_100000210776 [0,2,0,0,0,0|2,0,0]=4 22490 B14R1.232 Cc1cc(cnc1N)SCCCCO 62a_100000210776_100000684428 [0,2,0,0,0,0|2,0,0]=4 22491 B14R1.232 Cc1cc(cnc1N)SCCCCO 62a_100000684428_100000210776 [0,2,0,0,0,0|2,0,0]=4 22492 B14R1.232 Cc1cc(cnc1O)SCCCCO 62a_100000210776_100000685391 [0,2,0,0,0,0|2,0,0]=4 22493 B14R1.232 Cc1cc(cnc1O)SCCCCO 62a_100000685391_100000210776 [0,2,0,0,0,0|2,0,0]=4 22494 B14R1.232 Cc1cc(ncc1Br)CNCCCO 207a_100000182051_100009814806 [0,2,0,0,0,0|2,0,0]=4 22495 B14R1.232 Cc1cc(ncc1Br)CNCCCO 270004a_100000182051_100009814806 [0,2,0,0,0,0|2,0,0]=4 22496 B14R1.232 Cc1cc(ncc1Br)COCCCO 34a_200010713146_100000230001 [0,2,0,0,0,0|2,0,0]=4 22497 B14R1.232 Cc1cc(ncc1Br)OCCCCO 34a_100000766222_100011216708 [0,2,0,0,0,0|2,0,0]=4 22498 B14R1.232 Cc1cc(ncc1Br)SCCCCO 62a_100000210776_100012356354 [0,2,0,0,0,0|2,0,0]=4 22499 B14R1.232 Cc1cc(ncc1Br)SCCCCO 62a_100012356354_100000210776 [0,2,0,0,0,0|2,0,0]=4 22500 B14R1.232 Cc1cc(ncc1Cl)OCCCCO 34a_200000085746_100011216708 [0,2,0,0,0,0|2,0,0]=4 22501 B14R1.232 Cc1cc(ncc1F)SCCCCO 62a_100000210776_100009818257 [0,2,0,0,0,0|2,0,0]=4 22502 B14R1.232 Cc1cc(ncc1F)SCCCCO 62a_100009818257_100000210776 [0,2,0,0,0,0|2,0,0]=4 22503 B14R1.232 Cc1cc(ncc1N)SCCCCO 62a_100000067204_100000210776 [0,2,0,0,0,0|2,0,0]=4 22504 B14R1.232 Cc1cc(ncc1N)SCCCCO 62a_100000210776_100000067204 [0,2,0,0,0,0|2,0,0]=4 22505 B14R1.232 Cc1cc(ncc1O)SCCCCO 62a_100000210776_100000692680 [0,2,0,0,0,0|2,0,0]=4 22506 B14R1.232 Cc1ccc(c[n+]1[O-])SCCCCO 62a_100000210776_100000703231 [0,2,0,0,0,0|2,0,0]=4 22507 B14R1.232 Cc1ccc(cc1Br)CNCCCF 207a_100015189416_100000695567 [0,2,0,0,0,0|2,0,0]=4 22508 B14R1.232 Cc1ccc(cc1Br)CNCCCF 2230a_100015189416_100012232412 [0,2,0,0,0,0|2,0,0]=4 22509 B14R1.232 Cc1ccc(cc1Br)CNCCCF 270004a_100015189416_100000695567 [0,2,0,0,0,0|2,0,0]=4 22510 B14R1.232 Cc1ccc(cc1Br)CNCCCF 34a_100015189416_100012232412 [0,2,0,0,0,0|2,0,0]=4 22511 B14R1.232 Cc1ccc(cc1Br)CNCCCO 207a_100000182051_100000695567 [0,2,0,0,0,0|1,0,0]=3 22512 B14R1.232 Cc1ccc(cc1Br)CNCCCO 270004a_100000182051_100000695567 [0,2,0,0,0,0|1,0,0]=3 22513 B14R1.232 Cc1ccc(cc1Br)COCCCBr 34a_100011217188_100012232412 [0,2,0,0,0,0|2,0,0]=4 22514 B14R1.232 Cc1ccc(cc1Br)COCCCCl 34a_100000230001_100012232412 [0,2,0,0,0,0|2,0,0]=4 22515 B14R1.232 Cc1ccc(cc1Br)COCCCF 34a_100000708995_100011934791 [0,2,0,0,0,0|2,0,0]=4 22516 B14R1.232 Cc1ccc(cc1Br)COCCCF 34a_100000759539_100012232412 [0,2,0,0,0,0|2,0,0]=4 22517 B14R1.232 Cc1ccc(cc1Br)COCCCF 7a_100000708995_100011934791 [0,2,0,0,0,0|2,0,0]=4 22518 B14R1.232 Cc1ccc(cc1Br)COCCCN 34a_100000182051_100012232412 [0,2,0,0,0,0|2,0,0]=4 22519 B14R1.232 Cc1ccc(cc1Br)COCCCO 34a_100000708995_100000230001 [0,2,0,0,0,0|1,0,0]=3 22520 B14R1.232 Cc1ccc(cc1Br)COCCCO 7a_100000708995_100011215043 [0,2,0,0,0,0|1,0,0]=3 22521 B14R1.232 Cc1ccc(cc1Br)CSCCCF 62a_100011934791_100012232412 [0,2,0,0,0,0|2,0,0]=4 22522 B14R1.232 Cc1ccc(cc1Br)CSCCCF 62a_100012232412_100011934791 [0,2,0,0,0,0|2,0,0]=4 22523 B14R1.232 Cc1ccc(cc1Br)CSCCCO 62a_100011215043_100012232412 [0,2,0,0,0,0|1,0,0]=3 22524 B14R1.232 Cc1ccc(cc1Br)CSCCCO 62a_100012232412_100011215043 [0,2,0,0,0,0|1,0,0]=3 22525 B14R1.232 Cc1ccc(cc1Br)NCCCCF 2230a_100000736455_100000729493 [0,2,0,0,0,0|2,0,0]=4 22526 B14R1.232 Cc1ccc(cc1Br)NCCCCF 34a_100000736455_100000729493 [0,2,0,0,0,0|2,0,0]=4 22527 B14R1.232 Cc1ccc(cc1Br)NCCCCF 7a_100000736455_100000729493 [0,2,0,0,0,0|2,0,0]=4 22528 B14R1.232 Cc1ccc(cc1Br)NCCCCO 2230a_100000736455_100000210776 [0,2,0,0,0,0|1,0,0]=3 22529 B14R1.232 Cc1ccc(cc1Br)NCCCCO 34a_100000736455_100011216708 [0,2,0,0,0,0|1,0,0]=3 22530 B14R1.232 Cc1ccc(cc1Br)NCCCCO 7a_100000736455_100000210776 [0,2,0,0,0,0|1,0,0]=3 22531 B14R1.232 Cc1ccc(cc1Br)OCCCCF 34a_100011380479_100000729493 [0,2,0,0,0,0|2,0,0]=4 22532 B14R1.232 Cc1ccc(cc1Br)OCCCCF 7a_100011380479_100000729493 [0,2,0,0,0,0|2,0,0]=4 22533 B14R1.232 Cc1ccc(cc1Br)OCCCCO 34a_100011380479_100011216708 [0,2,0,0,0,0|1,0,0]=3 22534 B14R1.232 Cc1ccc(cc1Br)OCCCCO 7a_100011380479_100000210776 [0,2,0,0,0,0|1,0,0]=3 22535 B14R1.232 Cc1ccc(cc1Br)SCCCCF 62a_100000729493_100011847877 [0,2,0,0,0,0|2,0,0]=4 22536 B14R1.232 Cc1ccc(cc1Br)SCCCCF 62a_100011847877_100000729493 [0,2,0,0,0,0|2,0,0]=4 22537 B14R1.232 Cc1ccc(cc1Br)SCCCCO 62a_100000210776_100011847877 [0,2,0,0,0,0|1,0,0]=3 22538 B14R1.232 Cc1ccc(cc1Br)SCCCCO 62a_100011847877_100000210776 [0,2,0,0,0,0|1,0,0]=3 22539 B14R1.232 Cc1ccc(cc1C)CCNCCF 2230a_100020591374_100011217306 [0,2,0,0,0,0|2,0,0]=4 22540 B14R1.232 Cc1ccc(cc1C)CCNCCF 34a_100020591374_100011217306 [0,2,0,0,0,0|2,0,0]=4 22541 B14R1.232 Cc1ccc(cc1C)CCNCCO 2230a_100020591374_100000211926 [0,2,0,0,0,0|1,0,0]=3 22542 B14R1.232 Cc1ccc(cc1C)CCNCCO 34a_100020591374_100000211926 [0,2,0,0,0,0|1,0,0]=3 22543 B14R1.232 Cc1ccc(cc1C)CNCCCF 207a_100015189416_100000229942 [0,2,0,0,0,0|2,0,0]=4 22544 B14R1.232 Cc1ccc(cc1C)CNCCCF 2230a_100015189416_100000742320 [0,2,0,0,0,0|2,0,0]=4 22545 B14R1.232 Cc1ccc(cc1C)CNCCCF 2230a_100025706692_100011934791 [0,2,0,0,0,0|2,0,0]=4 22546 B14R1.232 Cc1ccc(cc1C)CNCCCF 270004a_100015189416_100000229942 [0,2,0,0,0,0|2,0,0]=4 22547 B14R1.232 Cc1ccc(cc1C)CNCCCF 34a_100015189416_100000742320 [0,2,0,0,0,0|2,0,0]=4 22548 B14R1.232 Cc1ccc(cc1C)CNCCCF 34a_100025706692_100011934791 [0,2,0,0,0,0|2,0,0]=4 22549 B14R1.232 Cc1ccc(cc1C)CNCCCO 207a_100000182051_100000229942 [0,2,0,0,0,0|1,0,0]=3 22550 B14R1.232 Cc1ccc(cc1C)CNCCCO 2230a_100025706692_100000230001 [0,2,0,0,0,0|1,0,0]=3 22551 B14R1.232 Cc1ccc(cc1C)CNCCCO 270004a_100000182051_100000229942 [0,2,0,0,0,0|1,0,0]=3 22552 B14R1.232 Cc1ccc(cc1C)CNCCCO 34a_100025706692_100000230001 [0,2,0,0,0,0|1,0,0]=3 22553 B14R1.232 Cc1ccc(cc1C)COCCCBr 34a_100011217188_100000742320 [0,2,0,0,0,0|2,0,0]=4 22554 B14R1.232 Cc1ccc(cc1C)COCCCCl 34a_100000230001_100000742320 [0,2,0,0,0,0|2,0,0]=4 22555 B14R1.232 Cc1ccc(cc1C)COCCCF 34a_100000759539_100000742320 [0,2,0,0,0,0|2,0,0]=4 22556 B14R1.232 Cc1ccc(cc1C)COCCCF 34a_100011215342_100011934791 [0,2,0,0,0,0|2,0,0]=4 22557 B14R1.232 Cc1ccc(cc1C)COCCCF 7a_100011215342_100011934791 [0,2,0,0,0,0|2,0,0]=4 22558 B14R1.232 Cc1ccc(cc1C)COCCCN 34a_100000182051_100000742320 [0,2,0,0,0,0|2,0,0]=4 22559 B14R1.232 Cc1ccc(cc1C)COCCCO 34a_100011215342_100000230001 [0,2,0,0,0,0|1,0,0]=3 22560 B14R1.232 Cc1ccc(cc1C)COCCCO 7a_100011215342_100011215043 [0,2,0,0,0,0|1,0,0]=3 22561 B14R1.232 Cc1ccc(cc1C)CSCCCF 62a_100000742320_100011934791 [0,2,0,0,0,0|2,0,0]=4 22562 B14R1.232 Cc1ccc(cc1C)CSCCCF 62a_100011934791_100000742320 [0,2,0,0,0,0|2,0,0]=4 22563 B14R1.232 Cc1ccc(cc1C)CSCCCO 62a_100000742320_100011215043 [0,2,0,0,0,0|1,0,0]=3 22564 B14R1.232 Cc1ccc(cc1C)CSCCCO 62a_100011215043_100000742320 [0,2,0,0,0,0|1,0,0]=3 22565 B14R1.232 Cc1ccc(cc1C)NCCCCF 2230a_100000724040_100000729493 [0,2,0,0,0,0|2,0,0]=4 22566 B14R1.232 Cc1ccc(cc1C)NCCCCF 34a_100000724040_100000729493 [0,2,0,0,0,0|2,0,0]=4 22567 B14R1.232 Cc1ccc(cc1C)NCCCCF 7a_100000724040_100000729493 [0,2,0,0,0,0|2,0,0]=4 22568 B14R1.232 Cc1ccc(cc1C)NCCCCO 2230a_100000724040_100000210776 [0,2,0,0,0,0|1,0,0]=3 22569 B14R1.232 Cc1ccc(cc1C)NCCCCO 34a_100000724040_100011216708 [0,2,0,0,0,0|1,0,0]=3 22570 B14R1.232 Cc1ccc(cc1C)NCCCCO 7a_100000724040_100000210776 [0,2,0,0,0,0|1,0,0]=3 22571 B14R1.232 Cc1ccc(cc1C)OCCCCF 34a_100000210932_100000729493 [0,2,0,0,0,0|2,0,0]=4 22572 B14R1.232 Cc1ccc(cc1C)OCCCCF 7a_100000210932_100000729493 [0,2,0,0,0,0|2,0,0]=4 22573 B14R1.232 Cc1ccc(cc1C)OCCCCO 34a_100000210932_100011216708 [0,2,0,0,0,0|1,0,0]=3 22574 B14R1.232 Cc1ccc(cc1C)OCCCCO 7a_100000210932_100000210776 [0,2,0,0,0,0|1,0,0]=3 22575 B14R1.232 Cc1ccc(cc1C)SCCCCF 62a_100000729493_100011215607 [0,2,0,0,0,0|2,0,0]=4 22576 B14R1.232 Cc1ccc(cc1C)SCCCCF 62a_100011215607_100000729493 [0,2,0,0,0,0|2,0,0]=4 22577 B14R1.232 Cc1ccc(cc1C)SCCCCO 62a_100000210776_100011215607 [0,2,0,0,0,0|1,0,0]=3 22578 B14R1.232 Cc1ccc(cc1C)SCCCCO 62a_100011215607_100000210776 [0,2,0,0,0,0|1,0,0]=3 22579 B14R1.232 Cc1ccc(cc1Cl)CNCCCF 207a_100015189416_100000760539 [0,2,0,0,0,0|2,0,0]=4 22580 B14R1.232 Cc1ccc(cc1Cl)CNCCCF 2230a_100015189416_100011823929 [0,2,0,0,0,0|2,0,0]=4 22581 B14R1.232 Cc1ccc(cc1Cl)CNCCCF 2230a_102495364989_100011934791 [0,2,0,0,0,0|2,0,0]=4 22582 B14R1.232 Cc1ccc(cc1Cl)CNCCCF 270004a_100015189416_100000760539 [0,2,0,0,0,0|2,0,0]=4 22583 B14R1.232 Cc1ccc(cc1Cl)CNCCCF 34a_100015189416_100011823929 [0,2,0,0,0,0|2,0,0]=4 22584 B14R1.232 Cc1ccc(cc1Cl)CNCCCF 34a_102495364989_100011934791 [0,2,0,0,0,0|2,0,0]=4 22585 B14R1.232 Cc1ccc(cc1Cl)CNCCCO 207a_100000182051_100000760539 [0,2,0,0,0,0|1,0,0]=3 22586 B14R1.232 Cc1ccc(cc1Cl)CNCCCO 2230a_102495364989_100000230001 [0,2,0,0,0,0|1,0,0]=3 22587 B14R1.232 Cc1ccc(cc1Cl)CNCCCO 270004a_100000182051_100000760539 [0,2,0,0,0,0|1,0,0]=3 22588 B14R1.232 Cc1ccc(cc1Cl)CNCCCO 34a_102495364989_100000230001 [0,2,0,0,0,0|1,0,0]=3 22589 B14R1.232 Cc1ccc(cc1Cl)COCCCBr 34a_100011217188_100011823929 [0,2,0,0,0,0|2,0,0]=4 22590 B14R1.232 Cc1ccc(cc1Cl)COCCCCl 34a_100000230001_100011823929 [0,2,0,0,0,0|2,0,0]=4 22591 B14R1.232 Cc1ccc(cc1Cl)COCCCF 34a_100000759539_100011823929 [0,2,0,0,0,0|2,0,0]=4 22592 B14R1.232 Cc1ccc(cc1Cl)COCCCF 34a_100011290783_100011934791 [0,2,0,0,0,0|2,0,0]=4 22593 B14R1.232 Cc1ccc(cc1Cl)COCCCF 7a_100011290783_100011934791 [0,2,0,0,0,0|2,0,0]=4 22594 B14R1.232 Cc1ccc(cc1Cl)COCCCN 34a_100000182051_100011823929 [0,2,0,0,0,0|2,0,0]=4 22595 B14R1.232 Cc1ccc(cc1Cl)COCCCO 34a_100011290783_100000230001 [0,2,0,0,0,0|1,0,0]=3 22596 B14R1.232 Cc1ccc(cc1Cl)COCCCO 7a_100011290783_100011215043 [0,2,0,0,0,0|1,0,0]=3 22597 B14R1.232 Cc1ccc(cc1Cl)CSCCCF 62a_100011823929_100011934791 [0,2,0,0,0,0|2,0,0]=4 22598 B14R1.232 Cc1ccc(cc1Cl)CSCCCF 62a_100011934791_100011823929 [0,2,0,0,0,0|2,0,0]=4 22599 B14R1.232 Cc1ccc(cc1Cl)CSCCCO 62a_100011215043_100011823929 [0,2,0,0,0,0|1,0,0]=3 22600 B14R1.232 Cc1ccc(cc1Cl)CSCCCO 62a_100011823929_100011215043 [0,2,0,0,0,0|1,0,0]=3 22601 B14R1.232 Cc1ccc(cc1Cl)NCCCCF 2230a_100000188892_100000729493 [0,2,0,0,0,0|2,0,0]=4 22602 B14R1.232 Cc1ccc(cc1Cl)NCCCCF 34a_100000188892_100000729493 [0,2,0,0,0,0|2,0,0]=4 22603 B14R1.232 Cc1ccc(cc1Cl)NCCCCF 7a_100000188892_100000729493 [0,2,0,0,0,0|2,0,0]=4 22604 B14R1.232 Cc1ccc(cc1Cl)NCCCCO 2230a_100000188892_100000210776 [0,2,0,0,0,0|1,0,0]=3 22605 B14R1.232 Cc1ccc(cc1Cl)NCCCCO 34a_100000188892_100011216708 [0,2,0,0,0,0|1,0,0]=3 22606 B14R1.232 Cc1ccc(cc1Cl)NCCCCO 7a_100000188892_100000210776 [0,2,0,0,0,0|1,0,0]=3 22607 B14R1.232 Cc1ccc(cc1Cl)OCCCCF 34a_100011265682_100000729493 [0,2,0,0,0,0|2,0,0]=4 22608 B14R1.232 Cc1ccc(cc1Cl)OCCCCF 7a_100011265682_100000729493 [0,2,0,0,0,0|2,0,0]=4 22609 B14R1.232 Cc1ccc(cc1Cl)OCCCCO 34a_100011265682_100011216708 [0,2,0,0,0,0|1,0,0]=3 22610 B14R1.232 Cc1ccc(cc1Cl)OCCCCO 7a_100011265682_100000210776 [0,2,0,0,0,0|1,0,0]=3 22611 B14R1.232 Cc1ccc(cc1Cl)SCCCCF 62a_100000729493_100011216363 [0,2,0,0,0,0|2,0,0]=4 22612 B14R1.232 Cc1ccc(cc1Cl)SCCCCF 62a_100011216363_100000729493 [0,2,0,0,0,0|2,0,0]=4 22613 B14R1.232 Cc1ccc(cc1Cl)SCCCCO 62a_100000210776_100011216363 [0,2,0,0,0,0|1,0,0]=3 22614 B14R1.232 Cc1ccc(cc1Cl)SCCCCO 62a_100011216363_100000210776 [0,2,0,0,0,0|1,0,0]=3 22615 B14R1.232 Cc1ccc(cc1F)CNCCCF 207a_100015189416_100000753222 [0,2,0,0,0,0|2,0,0]=4 22616 B14R1.232 Cc1ccc(cc1F)CNCCCF 2230a_100015189416_100011217369 [0,2,0,0,0,0|2,0,0]=4 22617 B14R1.232 Cc1ccc(cc1F)CNCCCF 2230a_100102708794_100011934791 [0,2,0,0,0,0|2,0,0]=4 22618 B14R1.232 Cc1ccc(cc1F)CNCCCF 270004a_100015189416_100000753222 [0,2,0,0,0,0|2,0,0]=4 22619 B14R1.232 Cc1ccc(cc1F)CNCCCF 34a_100015189416_100011217369 [0,2,0,0,0,0|2,0,0]=4 22620 B14R1.232 Cc1ccc(cc1F)CNCCCF 34a_100102708794_100011934791 [0,2,0,0,0,0|2,0,0]=4 22621 B14R1.232 Cc1ccc(cc1F)CNCCCO 207a_100000182051_100000753222 [0,2,0,0,0,0|1,0,0]=3 22622 B14R1.232 Cc1ccc(cc1F)CNCCCO 2230a_100102708794_100000230001 [0,2,0,0,0,0|1,0,0]=3 22623 B14R1.232 Cc1ccc(cc1F)CNCCCO 270004a_100000182051_100000753222 [0,2,0,0,0,0|1,0,0]=3 22624 B14R1.232 Cc1ccc(cc1F)CNCCCO 34a_100102708794_100000230001 [0,2,0,0,0,0|1,0,0]=3 22625 B14R1.232 Cc1ccc(cc1F)COCCCBr 34a_100011217188_100011217369 [0,2,0,0,0,0|2,0,0]=4 22626 B14R1.232 Cc1ccc(cc1F)COCCCCl 34a_100000230001_100011217369 [0,2,0,0,0,0|2,0,0]=4 22627 B14R1.232 Cc1ccc(cc1F)COCCCF 34a_100000702247_100011934791 [0,2,0,0,0,0|2,0,0]=4 22628 B14R1.232 Cc1ccc(cc1F)COCCCF 34a_100000759539_100011217369 [0,2,0,0,0,0|2,0,0]=4 22629 B14R1.232 Cc1ccc(cc1F)COCCCF 7a_100000702247_100011934791 [0,2,0,0,0,0|2,0,0]=4 22630 B14R1.232 Cc1ccc(cc1F)COCCCN 34a_100000182051_100011217369 [0,2,0,0,0,0|2,0,0]=4 22631 B14R1.232 Cc1ccc(cc1F)COCCCO 34a_100000702247_100000230001 [0,2,0,0,0,0|1,0,0]=3 22632 B14R1.232 Cc1ccc(cc1F)COCCCO 7a_100000702247_100011215043 [0,2,0,0,0,0|1,0,0]=3 22633 B14R1.232 Cc1ccc(cc1F)CSCCCF 62a_100011217369_100011934791 [0,2,0,0,0,0|2,0,0]=4 22634 B14R1.232 Cc1ccc(cc1F)CSCCCF 62a_100011934791_100011217369 [0,2,0,0,0,0|2,0,0]=4 22635 B14R1.232 Cc1ccc(cc1F)CSCCCO 62a_100011215043_100011217369 [0,2,0,0,0,0|1,0,0]=3 22636 B14R1.232 Cc1ccc(cc1F)CSCCCO 62a_100011217369_100011215043 [0,2,0,0,0,0|1,0,0]=3 22637 B14R1.232 Cc1ccc(cc1F)NCCCCF 2230a_100000210958_100000729493 [0,2,0,0,0,0|2,0,0]=4 22638 B14R1.232 Cc1ccc(cc1F)NCCCCF 34a_100000210958_100000729493 [0,2,0,0,0,0|2,0,0]=4 22639 B14R1.232 Cc1ccc(cc1F)NCCCCF 7a_100000210958_100000729493 [0,2,0,0,0,0|2,0,0]=4 22640 B14R1.232 Cc1ccc(cc1F)NCCCCO 2230a_100000210958_100000210776 [0,2,0,0,0,0|1,0,0]=3 22641 B14R1.232 Cc1ccc(cc1F)NCCCCO 34a_100000210958_100011216708 [0,2,0,0,0,0|1,0,0]=3 22642 B14R1.232 Cc1ccc(cc1F)NCCCCO 7a_100000210958_100000210776 [0,2,0,0,0,0|1,0,0]=3 22643 B14R1.232 Cc1ccc(cc1F)OCCCCF 34a_100000722560_100000729493 [0,2,0,0,0,0|2,0,0]=4 22644 B14R1.232 Cc1ccc(cc1F)OCCCCF 7a_100000722560_100000729493 [0,2,0,0,0,0|2,0,0]=4 22645 B14R1.232 Cc1ccc(cc1F)OCCCCO 34a_100000722560_100011216708 [0,2,0,0,0,0|1,0,0]=3 22646 B14R1.232 Cc1ccc(cc1F)OCCCCO 7a_100000722560_100000210776 [0,2,0,0,0,0|1,0,0]=3 22647 B14R1.232 Cc1ccc(cc1F)SCCCCF 62a_100000720648_100000729493 [0,2,0,0,0,0|2,0,0]=4 22648 B14R1.232 Cc1ccc(cc1F)SCCCCF 62a_100000729493_100000720648 [0,2,0,0,0,0|2,0,0]=4 22649 B14R1.232 Cc1ccc(cc1F)SCCCCO 62a_100000210776_100000720648 [0,2,0,0,0,0|1,0,0]=3 22650 B14R1.232 Cc1ccc(cc1F)SCCCCO 62a_100000720648_100000210776 [0,2,0,0,0,0|1,0,0]=3 22651 B14R1.232 Cc1ccc(cc1I)CNCCCF 207a_100015189416_100010197721 [0,2,0,0,0,0|2,0,0]=4 22652 B14R1.232 Cc1ccc(cc1I)CNCCCF 2230a_100015189416_100010206137 [0,2,0,0,0,0|2,0,0]=4 22653 B14R1.232 Cc1ccc(cc1I)CNCCCF 270004a_100015189416_100010197721 [0,2,0,0,0,0|2,0,0]=4 22654 B14R1.232 Cc1ccc(cc1I)CNCCCF 34a_100015189416_100010206137 [0,2,0,0,0,0|2,0,0]=4 22655 B14R1.232 Cc1ccc(cc1I)CNCCCO 207a_100000182051_100010197721 [0,2,0,0,0,0|1,0,0]=3 22656 B14R1.232 Cc1ccc(cc1I)CNCCCO 270004a_100000182051_100010197721 [0,2,0,0,0,0|1,0,0]=3 22657 B14R1.232 Cc1ccc(cc1I)COCCCBr 34a_100011217188_100010206137 [0,2,0,0,0,0|2,0,0]=4 22658 B14R1.232 Cc1ccc(cc1I)COCCCCl 34a_100000230001_100010206137 [0,2,0,0,0,0|2,0,0]=4 22659 B14R1.232 Cc1ccc(cc1I)COCCCF 34a_100000050133_100011934791 [0,2,0,0,0,0|2,0,0]=4 22660 B14R1.232 Cc1ccc(cc1I)COCCCF 34a_100000759539_100010206137 [0,2,0,0,0,0|2,0,0]=4 22661 B14R1.232 Cc1ccc(cc1I)COCCCF 7a_100000050133_100011934791 [0,2,0,0,0,0|2,0,0]=4 22662 B14R1.232 Cc1ccc(cc1I)COCCCN 34a_100000182051_100010206137 [0,2,0,0,0,0|2,0,0]=4 22663 B14R1.232 Cc1ccc(cc1I)COCCCO 34a_100000050133_100000230001 [0,2,0,0,0,0|1,0,0]=3 22664 B14R1.232 Cc1ccc(cc1I)COCCCO 7a_100000050133_100011215043 [0,2,0,0,0,0|1,0,0]=3 22665 B14R1.232 Cc1ccc(cc1I)CSCCCF 62a_100010206137_100011934791 [0,2,0,0,0,0|2,0,0]=4 22666 B14R1.232 Cc1ccc(cc1I)CSCCCF 62a_100011934791_100010206137 [0,2,0,0,0,0|2,0,0]=4 22667 B14R1.232 Cc1ccc(cc1I)CSCCCO 62a_100010206137_100011215043 [0,2,0,0,0,0|1,0,0]=3 22668 B14R1.232 Cc1ccc(cc1I)CSCCCO 62a_100011215043_100010206137 [0,2,0,0,0,0|1,0,0]=3 22669 B14R1.232 Cc1ccc(cc1I)NCCCCF 34a_100000184131_100000729493 [0,2,0,0,0,0|2,0,0]=4 22670 B14R1.232 Cc1ccc(cc1I)NCCCCF 7a_100000184131_100000729493 [0,2,0,0,0,0|2,0,0]=4 22671 B14R1.232 Cc1ccc(cc1I)NCCCCO 34a_100000184131_100011216708 [0,2,0,0,0,0|1,0,0]=3 22672 B14R1.232 Cc1ccc(cc1I)NCCCCO 7a_100000184131_100000210776 [0,2,0,0,0,0|1,0,0]=3 22673 B14R1.232 Cc1ccc(cc1N)COCCCF 34a_100000758420_100011934791 [0,2,0,0,0,0|2,0,0]=4 22674 B14R1.232 Cc1ccc(cc1N)COCCCO 34a_100000758420_100000230001 [0,2,0,0,0,0|1,0,0]=3 22675 B14R1.232 Cc1ccc(cc1N)OCCCCF 34a_100011216113_100000729493 [0,2,0,0,0,0|2,0,0]=4 22676 B14R1.232 Cc1ccc(cc1N)OCCCCF 7a_100011216113_100000729493 [0,2,0,0,0,0|2,0,0]=4 22677 B14R1.232 Cc1ccc(cc1N)OCCCCO 34a_100011216113_100011216708 [0,2,0,0,0,0|1,0,0]=3 22678 B14R1.232 Cc1ccc(cc1N)OCCCCO 7a_100011216113_100000210776 [0,2,0,0,0,0|1,0,0]=3 22679 B14R1.232 Cc1ccc(cc1N)SCCCCF 62a_100000729493_100000761890 [0,2,0,0,0,0|2,0,0]=4 22680 B14R1.232 Cc1ccc(cc1N)SCCCCF 62a_100000761890_100000729493 [0,2,0,0,0,0|2,0,0]=4 22681 B14R1.232 Cc1ccc(cc1N)SCCCCO 62a_100000210776_100000761890 [0,2,0,0,0,0|1,0,0]=3 22682 B14R1.232 Cc1ccc(cc1N)SCCCCO 62a_100000761890_100000210776 [0,2,0,0,0,0|1,0,0]=3 22683 B14R1.232 Cc1ccc(cc1O)NCCCCF 34a_100000759471_100000729493 [0,2,0,0,0,0|2,0,0]=4 22684 B14R1.232 Cc1ccc(cc1O)NCCCCF 7a_100000759471_100000729493 [0,2,0,0,0,0|2,0,0]=4 22685 B14R1.232 Cc1ccc(cc1O)NCCCCO 34a_100000759471_100011216708 [0,2,0,0,0,0|1,0,0]=3 22686 B14R1.232 Cc1ccc(cc1O)NCCCCO 7a_100000759471_100000210776 [0,2,0,0,0,0|1,0,0]=3 22687 B14R1.232 Cc1ccc(cc1O)SCCCCF 62a_100000685420_100000729493 [0,2,0,0,0,0|2,0,0]=4 22688 B14R1.232 Cc1ccc(cc1O)SCCCCF 62a_100000729493_100000685420 [0,2,0,0,0,0|2,0,0]=4 22689 B14R1.232 Cc1ccc(cc1O)SCCCCO 62a_100000210776_100000685420 [0,2,0,0,0,0|1,0,0]=3 22690 B14R1.232 Cc1ccc(cc1O)SCCCCO 62a_100000685420_100000210776 [0,2,0,0,0,0|1,0,0]=3 22691 B14R1.232 Cc1ccc(nc1C)CNCCCO 2230a_202515432893_100000230001 [0,2,0,0,0,0|2,0,0]=4 22692 B14R1.232 Cc1ccc(nc1C)CNCCCO 34a_202515432893_100000230001 [0,2,0,0,0,0|2,0,0]=4 22693 B14R1.232 Cc1ccc(nc1C)SCCCCO 62a_100000103781_100000210776 [0,2,0,0,0,0|2,0,0]=4 22694 B14R1.232 Cc1ccc(nc1C)SCCCCO 62a_100000210776_100000103781 [0,2,0,0,0,0|2,0,0]=4 22695 B14R1.232 Cc1ccc(nc1N)SCCCCO 62a_100000210776_100009857032 [0,2,0,0,0,0|2,0,0]=4 22696 B14R1.232 Cc1ccc(nc1N)SCCCCO 62a_100009857032_100000210776 [0,2,0,0,0,0|2,0,0]=4 22697 B14R1.232 Cc1cnc(cc1Br)CNCCCO 207a_100000182051_100010174032 [0,2,0,0,0,0|2,0,0]=4 22698 B14R1.232 Cc1cnc(cc1Br)CNCCCO 270004a_100000182051_100010174032 [0,2,0,0,0,0|2,0,0]=4 22699 B14R1.232 Cc1cnc(cc1Br)COCCCO 34a_100010113723_100000230001 [0,2,0,0,0,0|2,0,0]=4 22700 B14R1.232 Cc1cnc(cc1Br)COCCCO 7a_100010113723_100011215043 [0,2,0,0,0,0|2,0,0]=4 22701 B14R1.232 Cc1cnc(cc1Br)OCCCCO 34a_100009831917_100011216708 [0,2,0,0,0,0|2,0,0]=4 22702 B14R1.232 Cc1cnc(cc1C)SCCCCO 62a_100000210776_100009850809 [0,2,0,0,0,0|2,0,0]=4 22703 B14R1.232 Cc1cnc(cc1C)SCCCCO 62a_100009850809_100000210776 [0,2,0,0,0,0|2,0,0]=4 22704 B14R1.232 Cc1cnc(cc1Cl)COCCCO 34a_200000144627_100000230001 [0,2,0,0,0,0|2,0,0]=4 22705 B14R1.232 Cc1cnc(cc1Cl)COCCCO 7a_200000144627_100011215043 [0,2,0,0,0,0|2,0,0]=4 22706 B14R1.232 Cc1cnc(cc1F)NCCCCO 27a_100000750430_100009841206 [0,2,0,0,0,0|2,0,0]=4 22707 B14R1.232 Cc1cnc(cc1F)SCCCCO 62a_100000210776_100009841206 [0,2,0,0,0,0|2,0,0]=4 22708 B14R1.232 Cc1cnc(cc1F)SCCCCO 62a_100009841206_100000210776 [0,2,0,0,0,0|2,0,0]=4 22709 B14R1.232 Cc1cnc(cc1N)SCCCCO 62a_100000126663_100000210776 [0,2,0,0,0,0|2,0,0]=4 22710 B14R1.232 Cc1cnc(cc1N)SCCCCO 62a_100000210776_100000126663 [0,2,0,0,0,0|2,0,0]=4 22711 B14R1.232 Cc1cnc(cc1O)SCCCCO 62a_100000210776_100000704368 [0,2,0,0,0,0|2,0,0]=4 22712 B14R1.232 Cc1cnc(cc1O)SCCCCO 62a_100000704368_100000210776 [0,2,0,0,0,0|2,0,0]=4 22713 B14R1.232 Cc1nc(ccc1Br)CNCCCO 207a_100000182051_100010238520 [0,2,0,0,0,0|2,0,0]=4 22714 B14R1.232 Cc1nc(ccc1Br)CNCCCO 270004a_100000182051_100010238520 [0,2,0,0,0,0|2,0,0]=4 22715 B14R1.232 Cc1nc(ccc1Br)COCCCO 34a_100010114280_100000230001 [0,2,0,0,0,0|2,0,0]=4 22716 B14R1.232 Cc1nc(ccc1Br)OCCCCO 34a_100000691680_100011216708 [0,2,0,0,0,0|2,0,0]=4 22717 B14R1.232 Cc1nc(ccc1Br)SCCCCO 62a_100000210776_100012360386 [0,2,0,0,0,0|2,0,0]=4 22718 B14R1.232 Cc1nc(ccc1Br)SCCCCO 62a_100012360386_100000210776 [0,2,0,0,0,0|2,0,0]=4 22719 B14R1.232 Cc1nc(ccc1Cl)OCCCCO 34a_200009863735_100011216708 [0,2,0,0,0,0|2,0,0]=4 22720 B14R1.232 Cc1nc(ccc1F)COCCCO 34a_200009884719_100000230001 [0,2,0,0,0,0|2,0,0]=4 22721 B14R1.232 Cc1nc(ccc1F)SCCCCO 62a_100000210776_100009814307 [0,2,0,0,0,0|2,0,0]=4 22722 B14R1.232 Cc1nc(ccc1F)SCCCCO 62a_100009814307_100000210776 [0,2,0,0,0,0|2,0,0]=4 22723 B14R1.232 Cc1nc(ccc1N)SCCCCO 62a_100000210776_100000720120 [0,2,0,0,0,0|2,0,0]=4 22724 B14R1.232 Cc1nc(ccc1N)SCCCCO 62a_100000720120_100000210776 [0,2,0,0,0,0|2,0,0]=4 22725 B14R1.232 Cc1nc(ccc1O)SCCCCO 62a_100000210776_100010233687 [0,2,0,0,0,0|2,0,0]=4 22726 B14R1.232 Cc1nc(ccc1O)SCCCCO 62a_100010233687_100000210776 [0,2,0,0,0,0|2,0,0]=4 22727 B14R1.232 Cc1ncc(cc1Br)OCCCCO 34a_100009819603_100011216708 [0,2,0,0,0,0|2,0,0]=4 22728 B14R1.232 Cc1ncc(cc1Br)OCCCCO 7a_100009819603_100000210776 [0,2,0,0,0,0|2,0,0]=4 22729 B14R1.232 Cc1ncc(cc1F)COCCCO 34a_100009839834_100000230001 [0,2,0,0,0,0|2,0,0]=4 22730 B14R1.232 Cc1ncc(cc1F)COCCCO 7a_100009839834_100011215043 [0,2,0,0,0,0|2,0,0]=4 22731 B14R1.232 Cc1ncc(cc1F)SCCCCO 62a_100000210776_100009845756 [0,2,0,0,0,0|2,0,0]=4 22732 B14R1.232 Cc1ncc(cc1F)SCCCCO 62a_100009845756_100000210776 [0,2,0,0,0,0|2,0,0]=4 22733 B14R1.232 Cc1ncc(cc1N)SCCCCO 62a_100000210776_100011999542 [0,2,0,0,0,0|2,0,0]=4 22734 B14R1.232 Cc1ncc(cc1N)SCCCCO 62a_100011999542_100000210776 [0,2,0,0,0,0|2,0,0]=4 22735 B14R1.232 Cc1ncc(cc1O)SCCCCO 62a_100000210776_100009864810 [0,2,0,0,0,0|2,0,0]=4 22736 B14R1.232 Cc1ncc(cc1O)SCCCCO 62a_100009864810_100000210776 [0,2,0,0,0,0|2,0,0]=4 22737 B14R1.232 ClCCCOCc1ccc(c(c1)Br)Br 34a_100000230001_100012353900 [0,2,0,0,0,0|2,0,0]=4 22738 B14R1.232 ClCCCOCc1ccc(c(c1)Br)Cl 34a_100000230001_100012353894 [0,2,0,0,0,0|2,0,0]=4 22739 B14R1.232 ClCCCOCc1ccc(c(c1)Cl)Br 34a_100000230001_100012353895 [0,2,0,0,0,0|2,0,0]=4 22740 B14R1.232 ClCCCOCc1ccc(c(c1)Cl)Cl 34a_100000230001_100000184707 [0,2,0,0,0,0|2,0,0]=4 22741 B14R1.232 ClCCCOCc1ccc(c(c1)Cl)I 34a_100000230001_100012349665 [0,2,0,0,0,0|2,0,0]=4 22742 B14R1.232 ClCCCOCc1ccc(c(c1)I)Br 34a_100000230001_100010146616 [0,2,0,0,0,0|2,0,0]=4 22743 B14R1.232 Clc1cc(ccc1Br)COCCCBr 34a_100011217188_100012353895 [0,2,0,0,0,0|2,0,0]=4 22744 B14R1.232 Clc1cc(ccc1I)COCCCBr 34a_100011217188_100012349665 [0,2,0,0,0,0|2,0,0]=4 22745 B14R1.232 Clc1ccc(cc1Br)COCCCBr 34a_100011217188_100012353894 [0,2,0,0,0,0|2,0,0]=4 22746 B14R1.232 Clc1ccc(cc1Cl)CCOCCBr 34a_100000211926_100011713676 [0,2,0,0,0,0|2,0,0]=4 22747 B14R1.232 Clc1ccc(cc1Cl)COCCCBr 34a_100011217188_100000184707 [0,2,0,0,0,0|2,0,0]=4 22748 B14R1.232 Cn1cc(ccc1=O)CNCCCO 207a_100000182051_100010620449 [0,2,0,0,0,0|2,0,0]=4 22749 B14R1.232 Cn1cc(ccc1=O)CNCCCO 270004a_100000182051_100010620449 [0,2,0,0,0,0|2,0,0]=4 22750 B14R1.232 Cn1cc(ccc1=O)SCCCCO 62a_100000210776_100011245003 [0,2,0,0,0,0|2,0,0]=4 22751 B14R1.232 Cn1cc(ccc1=O)SCCCCO 62a_100011245003_100000210776 [0,2,0,0,0,0|2,0,0]=4 22752 B14R1.232 Cn1ccc(cc1=O)NCCCCO 27a_100000750430_100009820031 [0,2,0,0,0,0|2,0,0]=4 22753 B14R1.232 Cn1ccc(cc1=O)SCCCCO 62a_100000210776_100009820031 [0,2,0,0,0,0|2,0,0]=4 22754 B14R1.232 Cn1ccc(cc1=O)SCCCCO 62a_100009820031_100000210776 [0,2,0,0,0,0|2,0,0]=4 22755 B14R1.232 FCCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000729493 [0,2,0,0,0,0|2,0,0]=4 22756 B14R1.232 FCCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100000729493 [0,2,0,0,0,0|2,0,0]=4 22757 B14R1.232 FCCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000729493 [0,2,0,0,0,0|2,0,0]=4 22758 B14R1.232 FCCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000729493 [0,2,0,0,0,0|2,0,0]=4 22759 B14R1.232 FCCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100000729493 [0,2,0,0,0,0|2,0,0]=4 22760 B14R1.232 FCCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000729493 [0,2,0,0,0,0|2,0,0]=4 22761 B14R1.232 FCCCCNc1ccc(c(c1)Br)F 34a_100000760356_100000729493 [0,2,0,0,0,0|2,0,0]=4 22762 B14R1.232 FCCCCNc1ccc(c(c1)Br)F 7a_100000760356_100000729493 [0,2,0,0,0,0|2,0,0]=4 22763 B14R1.232 FCCCCNc1ccc(c(c1)Br)I 34a_100000750458_100000729493 [0,2,0,0,0,0|2,0,0]=4 22764 B14R1.232 FCCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000729493 [0,2,0,0,0,0|2,0,0]=4 22765 B14R1.232 FCCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100000729493 [0,2,0,0,0,0|2,0,0]=4 22766 B14R1.232 FCCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000729493 [0,2,0,0,0,0|2,0,0]=4 22767 B14R1.232 FCCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000729493 [0,2,0,0,0,0|2,0,0]=4 22768 B14R1.232 FCCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000729493 [0,2,0,0,0,0|2,0,0]=4 22769 B14R1.232 FCCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000729493 [0,2,0,0,0,0|2,0,0]=4 22770 B14R1.232 FCCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100000729493 [0,2,0,0,0,0|2,0,0]=4 22771 B14R1.232 FCCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000729493 [0,2,0,0,0,0|2,0,0]=4 22772 B14R1.232 FCCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100000729493 [0,2,0,0,0,0|2,0,0]=4 22773 B14R1.232 FCCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000729493 [0,2,0,0,0,0|2,0,0]=4 22774 B14R1.232 FCCCCNc1ccc(c(c1)F)Br 34a_100000759894_100000729493 [0,2,0,0,0,0|2,0,0]=4 22775 B14R1.232 FCCCCNc1ccc(c(c1)F)Br 7a_100000759894_100000729493 [0,2,0,0,0,0|2,0,0]=4 22776 B14R1.232 FCCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000729493 [0,2,0,0,0,0|2,0,0]=4 22777 B14R1.232 FCCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100000729493 [0,2,0,0,0,0|2,0,0]=4 22778 B14R1.232 FCCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000729493 [0,2,0,0,0,0|2,0,0]=4 22779 B14R1.232 FCCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000729493 [0,2,0,0,0,0|2,0,0]=4 22780 B14R1.232 FCCCCNc1ccc(c(c1)F)F 34a_100000210724_100000729493 [0,2,0,0,0,0|2,0,0]=4 22781 B14R1.232 FCCCCNc1ccc(c(c1)F)F 7a_100000210724_100000729493 [0,2,0,0,0,0|2,0,0]=4 22782 B14R1.232 FCCCCNc1ccc(c(c1)F)I 34a_100011356925_100000729493 [0,2,0,0,0,0|2,0,0]=4 22783 B14R1.232 FCCCCNc1ccc(c(c1)F)I 7a_100011356925_100000729493 [0,2,0,0,0,0|2,0,0]=4 22784 B14R1.232 FCCCCNc1ccc(c(c1)I)Br 34a_100000750459_100000729493 [0,2,0,0,0,0|2,0,0]=4 22785 B14R1.232 FCCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100000729493 [0,2,0,0,0,0|2,0,0]=4 22786 B14R1.232 FCCCCNc1ccc(c(c1)I)F 34a_114828291077_100000729493 [0,2,0,0,0,0|2,0,0]=4 22787 B14R1.232 FCCCCNc1ccc(c(c1)I)F 7a_114828291077_100000729493 [0,2,0,0,0,0|2,0,0]=4 22788 B14R1.232 FCCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100000729493 [0,2,0,0,0,0|2,0,0]=4 22789 B14R1.232 FCCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000729493 [0,2,0,0,0,0|2,0,0]=4 22790 B14R1.232 FCCCCOc1ccc(c(c1)Br)F 34a_100000693481_100000729493 [0,2,0,0,0,0|2,0,0]=4 22791 B14R1.232 FCCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000729493 [0,2,0,0,0,0|2,0,0]=4 22792 B14R1.232 FCCCCOc1ccc(c(c1)Br)I 34a_100000701344_100000729493 [0,2,0,0,0,0|2,0,0]=4 22793 B14R1.232 FCCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000729493 [0,2,0,0,0,0|2,0,0]=4 22794 B14R1.232 FCCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000729493 [0,2,0,0,0,0|2,0,0]=4 22795 B14R1.232 FCCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000729493 [0,2,0,0,0,0|2,0,0]=4 22796 B14R1.232 FCCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000729493 [0,2,0,0,0,0|2,0,0]=4 22797 B14R1.232 FCCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000729493 [0,2,0,0,0,0|2,0,0]=4 22798 B14R1.232 FCCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000729493 [0,2,0,0,0,0|2,0,0]=4 22799 B14R1.232 FCCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000729493 [0,2,0,0,0,0|2,0,0]=4 22800 B14R1.232 FCCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000729493 [0,2,0,0,0,0|2,0,0]=4 22801 B14R1.232 FCCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000729493 [0,2,0,0,0,0|2,0,0]=4 22802 B14R1.232 FCCCCOc1ccc(c(c1)F)Br 34a_100000755031_100000729493 [0,2,0,0,0,0|2,0,0]=4 22803 B14R1.232 FCCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000729493 [0,2,0,0,0,0|2,0,0]=4 22804 B14R1.232 FCCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100000729493 [0,2,0,0,0,0|2,0,0]=4 22805 B14R1.232 FCCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000729493 [0,2,0,0,0,0|2,0,0]=4 22806 B14R1.232 FCCCCOc1ccc(c(c1)F)F 34a_100000181275_100000729493 [0,2,0,0,0,0|2,0,0]=4 22807 B14R1.232 FCCCCOc1ccc(c(c1)F)F 7a_100000181275_100000729493 [0,2,0,0,0,0|2,0,0]=4 22808 B14R1.232 FCCCCOc1ccc(c(c1)F)I 34a_100009990212_100000729493 [0,2,0,0,0,0|2,0,0]=4 22809 B14R1.232 FCCCCOc1ccc(c(c1)F)I 7a_100009990212_100000729493 [0,2,0,0,0,0|2,0,0]=4 22810 B14R1.232 FCCCCOc1ccc(c(c1)I)Br 34a_100012339312_100000729493 [0,2,0,0,0,0|2,0,0]=4 22811 B14R1.232 FCCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000729493 [0,2,0,0,0,0|2,0,0]=4 22812 B14R1.232 FCCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100000729493 [0,2,0,0,0,0|2,0,0]=4 22813 B14R1.232 FCCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000729493 [0,2,0,0,0,0|2,0,0]=4 22814 B14R1.232 FCCCCSc1ccc(c(c1)Br)Br 62a_100000729493_100012356285 [0,2,0,0,0,0|2,0,0]=4 22815 B14R1.232 FCCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000729493 [0,2,0,0,0,0|2,0,0]=4 22816 B14R1.232 FCCCCSc1ccc(c(c1)Br)Cl 62a_100000729493_100012353702 [0,2,0,0,0,0|2,0,0]=4 22817 B14R1.232 FCCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000729493 [0,2,0,0,0,0|2,0,0]=4 22818 B14R1.232 FCCCCSc1ccc(c(c1)Br)F 62a_100000729493_100012047266 [0,2,0,0,0,0|2,0,0]=4 22819 B14R1.232 FCCCCSc1ccc(c(c1)Br)F 62a_100012047266_100000729493 [0,2,0,0,0,0|2,0,0]=4 22820 B14R1.232 FCCCCSc1ccc(c(c1)Cl)Br 62a_100000729493_100012047281 [0,2,0,0,0,0|2,0,0]=4 22821 B14R1.232 FCCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000729493 [0,2,0,0,0,0|2,0,0]=4 22822 B14R1.232 FCCCCSc1ccc(c(c1)Cl)Cl 62a_100000729493_100011214914 [0,2,0,0,0,0|2,0,0]=4 22823 B14R1.232 FCCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000729493 [0,2,0,0,0,0|2,0,0]=4 22824 B14R1.232 FCCCCSc1ccc(c(c1)Cl)F 62a_100000729493_100011215976 [0,2,0,0,0,0|2,0,0]=4 22825 B14R1.232 FCCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000729493 [0,2,0,0,0,0|2,0,0]=4 22826 B14R1.232 FCCCCSc1ccc(c(c1)F)Br 62a_100000685389_100000729493 [0,2,0,0,0,0|2,0,0]=4 22827 B14R1.232 FCCCCSc1ccc(c(c1)F)Br 62a_100000729493_100000685389 [0,2,0,0,0,0|2,0,0]=4 22828 B14R1.232 FCCCCSc1ccc(c(c1)F)Cl 62a_100000729493_100011216805 [0,2,0,0,0,0|2,0,0]=4 22829 B14R1.232 FCCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000729493 [0,2,0,0,0,0|2,0,0]=4 22830 B14R1.232 FCCCCSc1ccc(c(c1)F)F 62a_100000703953_100000729493 [0,2,0,0,0,0|2,0,0]=4 22831 B14R1.232 FCCCCSc1ccc(c(c1)F)F 62a_100000729493_100000703953 [0,2,0,0,0,0|2,0,0]=4 22832 B14R1.232 FCCCNCc1ccc(c(c1)Br)Br 207a_100015189416_100011215943 [0,2,0,0,0,0|2,0,0]=4 22833 B14R1.232 FCCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100011934791 [0,2,0,0,0,0|2,0,0]=4 22834 B14R1.232 FCCCNCc1ccc(c(c1)Br)Br 2230a_100015189416_100012353900 [0,2,0,0,0,0|2,0,0]=4 22835 B14R1.232 FCCCNCc1ccc(c(c1)Br)Br 270004a_100015189416_100011215943 [0,2,0,0,0,0|2,0,0]=4 22836 B14R1.232 FCCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100011934791 [0,2,0,0,0,0|2,0,0]=4 22837 B14R1.232 FCCCNCc1ccc(c(c1)Br)Br 34a_100015189416_100012353900 [0,2,0,0,0,0|2,0,0]=4 22838 B14R1.232 FCCCNCc1ccc(c(c1)Br)Cl 207a_100015189416_100000693810 [0,2,0,0,0,0|2,0,0]=4 22839 B14R1.232 FCCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100011934791 [0,2,0,0,0,0|2,0,0]=4 22840 B14R1.232 FCCCNCc1ccc(c(c1)Br)Cl 2230a_100015189416_100012353894 [0,2,0,0,0,0|2,0,0]=4 22841 B14R1.232 FCCCNCc1ccc(c(c1)Br)Cl 270004a_100015189416_100000693810 [0,2,0,0,0,0|2,0,0]=4 22842 B14R1.232 FCCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100011934791 [0,2,0,0,0,0|2,0,0]=4 22843 B14R1.232 FCCCNCc1ccc(c(c1)Br)Cl 34a_100015189416_100012353894 [0,2,0,0,0,0|2,0,0]=4 22844 B14R1.232 FCCCNCc1ccc(c(c1)Br)F 207a_100015189416_100000211747 [0,2,0,0,0,0|2,0,0]=4 22845 B14R1.232 FCCCNCc1ccc(c(c1)Br)F 2230a_100015189416_100011206884 [0,2,0,0,0,0|2,0,0]=4 22846 B14R1.232 FCCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100011934791 [0,2,0,0,0,0|2,0,0]=4 22847 B14R1.232 FCCCNCc1ccc(c(c1)Br)F 270004a_100015189416_100000211747 [0,2,0,0,0,0|2,0,0]=4 22848 B14R1.232 FCCCNCc1ccc(c(c1)Br)F 34a_100015189416_100011206884 [0,2,0,0,0,0|2,0,0]=4 22849 B14R1.232 FCCCNCc1ccc(c(c1)Br)F 34a_100015193890_100011934791 [0,2,0,0,0,0|2,0,0]=4 22850 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Br 207a_100015189416_100000690054 [0,2,0,0,0,0|2,0,0]=4 22851 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100011934791 [0,2,0,0,0,0|2,0,0]=4 22852 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Br 2230a_100015189416_100012353895 [0,2,0,0,0,0|2,0,0]=4 22853 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Br 270004a_100015189416_100000690054 [0,2,0,0,0,0|2,0,0]=4 22854 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100011934791 [0,2,0,0,0,0|2,0,0]=4 22855 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Br 34a_100015189416_100012353895 [0,2,0,0,0,0|2,0,0]=4 22856 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Cl 207a_100015189416_100000188533 [0,2,0,0,0,0|2,0,0]=4 22857 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100011934791 [0,2,0,0,0,0|2,0,0]=4 22858 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Cl 2230a_100015189416_100000184707 [0,2,0,0,0,0|2,0,0]=4 22859 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Cl 270004a_100015189416_100000188533 [0,2,0,0,0,0|2,0,0]=4 22860 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100011934791 [0,2,0,0,0,0|2,0,0]=4 22861 B14R1.232 FCCCNCc1ccc(c(c1)Cl)Cl 34a_100015189416_100000184707 [0,2,0,0,0,0|2,0,0]=4 22862 B14R1.232 FCCCNCc1ccc(c(c1)Cl)F 207a_100015189416_100000742290 [0,2,0,0,0,0|2,0,0]=4 22863 B14R1.232 FCCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100011934791 [0,2,0,0,0,0|2,0,0]=4 22864 B14R1.232 FCCCNCc1ccc(c(c1)Cl)F 2230a_100015189416_100000717365 [0,2,0,0,0,0|2,0,0]=4 22865 B14R1.232 FCCCNCc1ccc(c(c1)Cl)F 270004a_100015189416_100000742290 [0,2,0,0,0,0|2,0,0]=4 22866 B14R1.232 FCCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100011934791 [0,2,0,0,0,0|2,0,0]=4 22867 B14R1.232 FCCCNCc1ccc(c(c1)Cl)F 34a_100015189416_100011934319 [0,2,0,0,0,0|2,0,0]=4 22868 B14R1.232 FCCCNCc1ccc(c(c1)Cl)I 2230a_100015189416_100012349665 [0,2,0,0,0,0|2,0,0]=4 22869 B14R1.232 FCCCNCc1ccc(c(c1)Cl)I 34a_100015189416_100012349665 [0,2,0,0,0,0|2,0,0]=4 22870 B14R1.232 FCCCNCc1ccc(c(c1)F)Br 207a_100015189416_100000686674 [0,2,0,0,0,0|2,0,0]=4 22871 B14R1.232 FCCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100011934791 [0,2,0,0,0,0|2,0,0]=4 22872 B14R1.232 FCCCNCc1ccc(c(c1)F)Br 2230a_100015189416_100000767054 [0,2,0,0,0,0|2,0,0]=4 22873 B14R1.232 FCCCNCc1ccc(c(c1)F)Br 270004a_100015189416_100000686674 [0,2,0,0,0,0|2,0,0]=4 22874 B14R1.232 FCCCNCc1ccc(c(c1)F)Br 34a_100000755036_100011934791 [0,2,0,0,0,0|2,0,0]=4 22875 B14R1.232 FCCCNCc1ccc(c(c1)F)Br 34a_100015189416_100000767054 [0,2,0,0,0,0|2,0,0]=4 22876 B14R1.232 FCCCNCc1ccc(c(c1)F)Cl 207a_100015189416_100000745630 [0,2,0,0,0,0|2,0,0]=4 22877 B14R1.232 FCCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100011934791 [0,2,0,0,0,0|2,0,0]=4 22878 B14R1.232 FCCCNCc1ccc(c(c1)F)Cl 2230a_100015189416_100000716492 [0,2,0,0,0,0|2,0,0]=4 22879 B14R1.232 FCCCNCc1ccc(c(c1)F)Cl 270004a_100015189416_100000745630 [0,2,0,0,0,0|2,0,0]=4 22880 B14R1.232 FCCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100011934791 [0,2,0,0,0,0|2,0,0]=4 22881 B14R1.232 FCCCNCc1ccc(c(c1)F)Cl 34a_100015189416_100011519011 [0,2,0,0,0,0|2,0,0]=4 22882 B14R1.232 FCCCNCc1ccc(c(c1)F)F 207a_100015189416_100000211062 [0,2,0,0,0,0|2,0,0]=4 22883 B14R1.232 FCCCNCc1ccc(c(c1)F)F 2230a_100000737897_100011934791 [0,2,0,0,0,0|2,0,0]=4 22884 B14R1.232 FCCCNCc1ccc(c(c1)F)F 2230a_100015189416_100000757363 [0,2,0,0,0,0|2,0,0]=4 22885 B14R1.232 FCCCNCc1ccc(c(c1)F)F 270004a_100015189416_100000211062 [0,2,0,0,0,0|2,0,0]=4 22886 B14R1.232 FCCCNCc1ccc(c(c1)F)F 34a_100000737897_100011934791 [0,2,0,0,0,0|2,0,0]=4 22887 B14R1.232 FCCCNCc1ccc(c(c1)F)F 34a_100015189416_100000757363 [0,2,0,0,0,0|2,0,0]=4 22888 B14R1.232 FCCCNCc1ccc(c(c1)F)I 207a_100015189416_100000050832 [0,2,0,0,0,0|2,0,0]=4 22889 B14R1.232 FCCCNCc1ccc(c(c1)F)I 2230a_100015189416_100010149604 [0,2,0,0,0,0|2,0,0]=4 22890 B14R1.232 FCCCNCc1ccc(c(c1)F)I 270004a_100015189416_100000050832 [0,2,0,0,0,0|2,0,0]=4 22891 B14R1.232 FCCCNCc1ccc(c(c1)F)I 34a_100015189416_100010149604 [0,2,0,0,0,0|2,0,0]=4 22892 B14R1.232 FCCCNCc1ccc(c(c1)I)Br 207a_100015189416_100010146563 [0,2,0,0,0,0|2,0,0]=4 22893 B14R1.232 FCCCNCc1ccc(c(c1)I)Br 2230a_100015189416_100010146616 [0,2,0,0,0,0|2,0,0]=4 22894 B14R1.232 FCCCNCc1ccc(c(c1)I)Br 270004a_100015189416_100010146563 [0,2,0,0,0,0|2,0,0]=4 22895 B14R1.232 FCCCNCc1ccc(c(c1)I)Br 34a_100015189416_100010146616 [0,2,0,0,0,0|2,0,0]=4 22896 B14R1.232 FCCCNCc1ccc(c(c1)I)Cl 207a_100015189416_100010209939 [0,2,0,0,0,0|2,0,0]=4 22897 B14R1.232 FCCCNCc1ccc(c(c1)I)Cl 270004a_100015189416_100010209939 [0,2,0,0,0,0|2,0,0]=4 22898 B14R1.232 FCCCNCc1ccc(c(c1)I)F 207a_100015189416_100010188209 [0,2,0,0,0,0|2,0,0]=4 22899 B14R1.232 FCCCNCc1ccc(c(c1)I)F 2230a_100015189416_100010188208 [0,2,0,0,0,0|2,0,0]=4 22900 B14R1.232 FCCCNCc1ccc(c(c1)I)F 270004a_100015189416_100010188209 [0,2,0,0,0,0|2,0,0]=4 22901 B14R1.232 FCCCNCc1ccc(c(c1)I)F 34a_100015189416_100010188208 [0,2,0,0,0,0|2,0,0]=4 22902 B14R1.232 FCCCOCc1ccc(c(c1)Br)Br 34a_100000759539_100012353900 [0,2,0,0,0,0|2,0,0]=4 22903 B14R1.232 FCCCOCc1ccc(c(c1)Br)Cl 34a_100000759539_100012353894 [0,2,0,0,0,0|2,0,0]=4 22904 B14R1.232 FCCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100011934791 [0,2,0,0,0,0|2,0,0]=4 22905 B14R1.232 FCCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100011934791 [0,2,0,0,0,0|2,0,0]=4 22906 B14R1.232 FCCCOCc1ccc(c(c1)Br)F 34a_100000246287_100011934791 [0,2,0,0,0,0|2,0,0]=4 22907 B14R1.232 FCCCOCc1ccc(c(c1)Br)F 34a_100000759539_100011206884 [0,2,0,0,0,0|2,0,0]=4 22908 B14R1.232 FCCCOCc1ccc(c(c1)Br)F 7a_100000246287_100011934791 [0,2,0,0,0,0|2,0,0]=4 22909 B14R1.232 FCCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100011934791 [0,2,0,0,0,0|2,0,0]=4 22910 B14R1.232 FCCCOCc1ccc(c(c1)Cl)Br 34a_100000759539_100012353895 [0,2,0,0,0,0|2,0,0]=4 22911 B14R1.232 FCCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100011934791 [0,2,0,0,0,0|2,0,0]=4 22912 B14R1.232 FCCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100011934791 [0,2,0,0,0,0|2,0,0]=4 22913 B14R1.232 FCCCOCc1ccc(c(c1)Cl)Cl 34a_100000759539_100000184707 [0,2,0,0,0,0|2,0,0]=4 22914 B14R1.232 FCCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011934791 [0,2,0,0,0,0|2,0,0]=4 22915 B14R1.232 FCCCOCc1ccc(c(c1)Cl)F 34a_100000759539_100011934319 [0,2,0,0,0,0|2,0,0]=4 22916 B14R1.232 FCCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100011934791 [0,2,0,0,0,0|2,0,0]=4 22917 B14R1.232 FCCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100011934791 [0,2,0,0,0,0|2,0,0]=4 22918 B14R1.232 FCCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100011934791 [0,2,0,0,0,0|2,0,0]=4 22919 B14R1.232 FCCCOCc1ccc(c(c1)Cl)I 34a_100000759539_100012349665 [0,2,0,0,0,0|2,0,0]=4 22920 B14R1.232 FCCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100011934791 [0,2,0,0,0,0|2,0,0]=4 22921 B14R1.232 FCCCOCc1ccc(c(c1)F)Br 34a_100000759539_100000767054 [0,2,0,0,0,0|2,0,0]=4 22922 B14R1.232 FCCCOCc1ccc(c(c1)F)Br 34a_100011533735_100011934791 [0,2,0,0,0,0|2,0,0]=4 22923 B14R1.232 FCCCOCc1ccc(c(c1)F)Br 7a_100011533735_100011934791 [0,2,0,0,0,0|2,0,0]=4 22924 B14R1.232 FCCCOCc1ccc(c(c1)F)Cl 34a_100000759539_100011519011 [0,2,0,0,0,0|2,0,0]=4 22925 B14R1.232 FCCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100011934791 [0,2,0,0,0,0|2,0,0]=4 22926 B14R1.232 FCCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100011934791 [0,2,0,0,0,0|2,0,0]=4 22927 B14R1.232 FCCCOCc1ccc(c(c1)F)F 34a_100000759539_100000757363 [0,2,0,0,0,0|2,0,0]=4 22928 B14R1.232 FCCCOCc1ccc(c(c1)F)F 34a_100011215442_100011934791 [0,2,0,0,0,0|2,0,0]=4 22929 B14R1.232 FCCCOCc1ccc(c(c1)F)F 7a_100011215442_100011934791 [0,2,0,0,0,0|2,0,0]=4 22930 B14R1.232 FCCCOCc1ccc(c(c1)F)I 34a_100000759539_100010149604 [0,2,0,0,0,0|2,0,0]=4 22931 B14R1.232 FCCCOCc1ccc(c(c1)F)I 34a_100010149597_100011934791 [0,2,0,0,0,0|2,0,0]=4 22932 B14R1.232 FCCCOCc1ccc(c(c1)F)I 7a_100010149597_100011934791 [0,2,0,0,0,0|2,0,0]=4 22933 B14R1.232 FCCCOCc1ccc(c(c1)I)Br 34a_100000759539_100010146616 [0,2,0,0,0,0|2,0,0]=4 22934 B14R1.232 FCCCOCc1ccc(c(c1)I)F 34a_100000049585_100011934791 [0,2,0,0,0,0|2,0,0]=4 22935 B14R1.232 FCCCOCc1ccc(c(c1)I)F 34a_100000759539_100010188208 [0,2,0,0,0,0|2,0,0]=4 22936 B14R1.232 FCCCOCc1ccc(c(c1)I)F 7a_100000049585_100011934791 [0,2,0,0,0,0|2,0,0]=4 22937 B14R1.232 FCCCSCc1ccc(c(c1)Br)Br 62a_100011934791_100012353900 [0,2,0,0,0,0|2,0,0]=4 22938 B14R1.232 FCCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100011934791 [0,2,0,0,0,0|2,0,0]=4 22939 B14R1.232 FCCCSCc1ccc(c(c1)Br)Cl 62a_100011934791_100012353894 [0,2,0,0,0,0|2,0,0]=4 22940 B14R1.232 FCCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100011934791 [0,2,0,0,0,0|2,0,0]=4 22941 B14R1.232 FCCCSCc1ccc(c(c1)Br)F 62a_100011206884_100011934791 [0,2,0,0,0,0|2,0,0]=4 22942 B14R1.232 FCCCSCc1ccc(c(c1)Br)F 62a_100011934791_100011206884 [0,2,0,0,0,0|2,0,0]=4 22943 B14R1.232 FCCCSCc1ccc(c(c1)Cl)Br 62a_100011934791_100012353895 [0,2,0,0,0,0|2,0,0]=4 22944 B14R1.232 FCCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100011934791 [0,2,0,0,0,0|2,0,0]=4 22945 B14R1.232 FCCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100011934791 [0,2,0,0,0,0|2,0,0]=4 22946 B14R1.232 FCCCSCc1ccc(c(c1)Cl)Cl 62a_100011934791_100000184707 [0,2,0,0,0,0|2,0,0]=4 22947 B14R1.232 FCCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100011934791 [0,2,0,0,0,0|2,0,0]=4 22948 B14R1.232 FCCCSCc1ccc(c(c1)Cl)F 62a_100011934791_100011934319 [0,2,0,0,0,0|2,0,0]=4 22949 B14R1.232 FCCCSCc1ccc(c(c1)Cl)I 62a_100011934791_100012349665 [0,2,0,0,0,0|2,0,0]=4 22950 B14R1.232 FCCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100011934791 [0,2,0,0,0,0|2,0,0]=4 22951 B14R1.232 FCCCSCc1ccc(c(c1)F)Br 62a_100000767054_100011934791 [0,2,0,0,0,0|2,0,0]=4 22952 B14R1.232 FCCCSCc1ccc(c(c1)F)Br 62a_100011934791_100000767054 [0,2,0,0,0,0|2,0,0]=4 22953 B14R1.232 FCCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100011934791 [0,2,0,0,0,0|2,0,0]=4 22954 B14R1.232 FCCCSCc1ccc(c(c1)F)Cl 62a_100011934791_100000716492 [0,2,0,0,0,0|2,0,0]=4 22955 B14R1.232 FCCCSCc1ccc(c(c1)F)F 62a_100000757363_100011934791 [0,2,0,0,0,0|2,0,0]=4 22956 B14R1.232 FCCCSCc1ccc(c(c1)F)F 62a_100011934791_100000757363 [0,2,0,0,0,0|2,0,0]=4 22957 B14R1.232 FCCCSCc1ccc(c(c1)F)I 62a_100010149604_100011934791 [0,2,0,0,0,0|2,0,0]=4 22958 B14R1.232 FCCCSCc1ccc(c(c1)F)I 62a_100011934791_100010149604 [0,2,0,0,0,0|2,0,0]=4 22959 B14R1.232 FCCCSCc1ccc(c(c1)I)Br 62a_100010146616_100011934791 [0,2,0,0,0,0|2,0,0]=4 22960 B14R1.232 FCCCSCc1ccc(c(c1)I)Br 62a_100011934791_100010146616 [0,2,0,0,0,0|2,0,0]=4 22961 B14R1.232 FCCCSCc1ccc(c(c1)I)F 62a_100010188208_100011934791 [0,2,0,0,0,0|2,0,0]=4 22962 B14R1.232 FCCCSCc1ccc(c(c1)I)F 62a_100011934791_100010188208 [0,2,0,0,0,0|2,0,0]=4 22963 B14R1.232 FCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100011217306 [0,2,0,0,0,0|2,0,0]=4 22964 B14R1.232 FCCNCCc1ccc(c(c1)Cl)Cl 34a_100000724931_100011713676 [0,2,0,0,0,0|2,0,0]=4 22965 B14R1.232 FCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100011217306 [0,2,0,0,0,0|2,0,0]=4 22966 B14R1.232 FCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100011217306 [0,2,0,0,0,0|2,0,0]=4 22967 B14R1.232 FCCNCCc1ccc(c(c1)Cl)F 34a_100000724931_100012361305 [0,2,0,0,0,0|2,0,0]=4 22968 B14R1.232 FCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100011217306 [0,2,0,0,0,0|2,0,0]=4 22969 B14R1.232 FCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100011217306 [0,2,0,0,0,0|2,0,0]=4 22970 B14R1.232 FCCNCCc1ccc(c(c1)F)F 34a_100000724931_100000690553 [0,2,0,0,0,0|2,0,0]=4 22971 B14R1.232 FCCNCCc1ccc(c(c1)F)F 34a_200000706328_100011217306 [0,2,0,0,0,0|2,0,0]=4 22972 B14R1.232 FCCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100011217306 [0,2,0,0,0,0|2,0,0]=4 22973 B14R1.232 FCCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100011217306 [0,2,0,0,0,0|2,0,0]=4 22974 B14R1.232 FCCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100011217306 [0,2,0,0,0,0|2,0,0]=4 22975 B14R1.232 FCCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100011217306 [0,2,0,0,0,0|2,0,0]=4 22976 B14R1.232 FCCOCCc1ccc(c(c1)F)Br 34a_100012921202_100011217306 [0,2,0,0,0,0|2,0,0]=4 22977 B14R1.232 FCCOCCc1ccc(c(c1)F)Br 7a_100012921202_100011217306 [0,2,0,0,0,0|2,0,0]=4 22978 B14R1.232 FCCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100011217306 [0,2,0,0,0,0|2,0,0]=4 22979 B14R1.232 FCCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100011217306 [0,2,0,0,0,0|2,0,0]=4 22980 B14R1.232 FCCOCCc1ccc(c(c1)F)F 34a_100000690376_100011217306 [0,2,0,0,0,0|2,0,0]=4 22981 B14R1.232 FCCOCCc1ccc(c(c1)F)F 7a_100000690376_100011217306 [0,2,0,0,0,0|2,0,0]=4 22982 B14R1.232 FCCSCCc1ccc(c(c1)Cl)Cl 62a_100011217306_100011713676 [0,2,0,0,0,0|2,0,0]=4 22983 B14R1.232 FCCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100011217306 [0,2,0,0,0,0|2,0,0]=4 22984 B14R1.232 FCCSCCc1ccc(c(c1)Cl)F 62a_100011217306_100012361305 [0,2,0,0,0,0|2,0,0]=4 22985 B14R1.232 FCCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100011217306 [0,2,0,0,0,0|2,0,0]=4 22986 B14R1.232 FCCSCCc1ccc(c(c1)F)F 62a_100000690553_100011217306 [0,2,0,0,0,0|2,0,0]=4 22987 B14R1.232 FCCSCCc1ccc(c(c1)F)F 62a_100011217306_100000690553 [0,2,0,0,0,0|2,0,0]=4 22988 B14R1.232 Fc1cc(ccc1Br)COCCCBr 34a_100011217188_100000767054 [0,2,0,0,0,0|2,0,0]=4 22989 B14R1.232 Fc1cc(ccc1Br)COCCCCl 34a_100000230001_100000767054 [0,2,0,0,0,0|2,0,0]=4 22990 B14R1.232 Fc1cc(ccc1Cl)COCCCBr 34a_100011217188_100011519011 [0,2,0,0,0,0|2,0,0]=4 22991 B14R1.232 Fc1cc(ccc1Cl)COCCCCl 34a_100000230001_100011519011 [0,2,0,0,0,0|2,0,0]=4 22992 B14R1.232 Fc1cc(ccc1I)COCCCBr 34a_100011217188_100010149604 [0,2,0,0,0,0|2,0,0]=4 22993 B14R1.232 Fc1cc(ccc1I)COCCCCl 34a_100000230001_100010149604 [0,2,0,0,0,0|2,0,0]=4 22994 B14R1.232 Fc1ccc(cc1Br)COCCCBr 34a_100011217188_100011206884 [0,2,0,0,0,0|2,0,0]=4 22995 B14R1.232 Fc1ccc(cc1Br)COCCCCl 34a_100000230001_100011206884 [0,2,0,0,0,0|2,0,0]=4 22996 B14R1.232 Fc1ccc(cc1Cl)CCOCCBr 34a_100000211926_100012361305 [0,2,0,0,0,0|2,0,0]=4 22997 B14R1.232 Fc1ccc(cc1Cl)COCCCBr 34a_100011217188_100011934319 [0,2,0,0,0,0|2,0,0]=4 22998 B14R1.232 Fc1ccc(cc1Cl)COCCCCl 34a_100000230001_100011934319 [0,2,0,0,0,0|2,0,0]=4 22999 B14R1.232 Fc1ccc(cc1F)CCOCCBr 34a_100000211926_100000690553 [0,2,0,0,0,0|2,0,0]=4 23000 B14R1.232 Fc1ccc(cc1F)COCCCBr 34a_100011217188_100000757363 [0,2,0,0,0,0|2,0,0]=4 23001 B14R1.232 Fc1ccc(cc1F)COCCCCl 34a_100000230001_100000757363 [0,2,0,0,0,0|2,0,0]=4 23002 B14R1.232 Fc1ccc(cc1I)COCCCBr 34a_100011217188_100010188208 [0,2,0,0,0,0|2,0,0]=4 23003 B14R1.232 Fc1ccc(cc1I)COCCCCl 34a_100000230001_100010188208 [0,2,0,0,0,0|2,0,0]=4 23004 B14R1.232 NCCCOCc1ccc(c(c1)Br)Br 34a_100000182051_100012353900 [0,2,0,0,0,0|2,0,0]=4 23005 B14R1.232 NCCCOCc1ccc(c(c1)Br)Cl 34a_100000182051_100012353894 [0,2,0,0,0,0|2,0,0]=4 23006 B14R1.232 NCCCOCc1ccc(c(c1)Br)F 34a_100000182051_100011206884 [0,2,0,0,0,0|2,0,0]=4 23007 B14R1.232 NCCCOCc1ccc(c(c1)Cl)Br 34a_100000182051_100012353895 [0,2,0,0,0,0|2,0,0]=4 23008 B14R1.232 NCCCOCc1ccc(c(c1)Cl)Cl 34a_100000182051_100000184707 [0,2,0,0,0,0|2,0,0]=4 23009 B14R1.232 NCCCOCc1ccc(c(c1)Cl)F 34a_100000182051_100011934319 [0,2,0,0,0,0|2,0,0]=4 23010 B14R1.232 NCCCOCc1ccc(c(c1)Cl)I 34a_100000182051_100012349665 [0,2,0,0,0,0|2,0,0]=4 23011 B14R1.232 NCCCOCc1ccc(c(c1)F)Br 34a_100000182051_100000767054 [0,2,0,0,0,0|2,0,0]=4 23012 B14R1.232 NCCCOCc1ccc(c(c1)F)Cl 34a_100000182051_100011519011 [0,2,0,0,0,0|2,0,0]=4 23013 B14R1.232 NCCCOCc1ccc(c(c1)F)F 34a_100000182051_100000757363 [0,2,0,0,0,0|2,0,0]=4 23014 B14R1.232 NCCCOCc1ccc(c(c1)F)I 34a_100000182051_100010149604 [0,2,0,0,0,0|2,0,0]=4 23015 B14R1.232 NCCCOCc1ccc(c(c1)I)Br 34a_100000182051_100010146616 [0,2,0,0,0,0|2,0,0]=4 23016 B14R1.232 NCCCOCc1ccc(c(c1)I)F 34a_100000182051_100010188208 [0,2,0,0,0,0|2,0,0]=4 23017 B14R1.232 NCCOCCc1ccc(c(c1)Cl)Cl 34a_100000210304_100011713676 [0,2,0,0,0,0|2,0,0]=4 23018 B14R1.232 NCCOCCc1ccc(c(c1)Cl)F 34a_100000210304_100012361305 [0,2,0,0,0,0|2,0,0]=4 23019 B14R1.232 NCCOCCc1ccc(c(c1)F)F 34a_100000210304_100000690553 [0,2,0,0,0,0|2,0,0]=4 23020 B14R1.232 Nc1cc(ccc1Br)COCCCF 34a_100012347568_100011934791 [0,2,0,0,0,0|2,0,0]=4 23021 B14R1.232 Nc1cc(ccc1Br)COCCCO 34a_100012347568_100000230001 [0,2,0,0,0,0|1,0,0]=3 23022 B14R1.232 Nc1cc(ccc1Br)OCCCCF 34a_100011999798_100000729493 [0,2,0,0,0,0|2,0,0]=4 23023 B14R1.232 Nc1cc(ccc1Br)OCCCCF 7a_100011999798_100000729493 [0,2,0,0,0,0|2,0,0]=4 23024 B14R1.232 Nc1cc(ccc1Br)OCCCCO 34a_100011999798_100011216708 [0,2,0,0,0,0|1,0,0]=3 23025 B14R1.232 Nc1cc(ccc1Br)OCCCCO 7a_100011999798_100000210776 [0,2,0,0,0,0|1,0,0]=3 23026 B14R1.232 Nc1cc(ccc1Br)SCCCCF 62a_100000729493_100000750456 [0,2,0,0,0,0|2,0,0]=4 23027 B14R1.232 Nc1cc(ccc1Br)SCCCCF 62a_100000750456_100000729493 [0,2,0,0,0,0|2,0,0]=4 23028 B14R1.232 Nc1cc(ccc1Br)SCCCCO 62a_100000210776_100000750456 [0,2,0,0,0,0|1,0,0]=3 23029 B14R1.232 Nc1cc(ccc1Br)SCCCCO 62a_100000750456_100000210776 [0,2,0,0,0,0|1,0,0]=3 23030 B14R1.232 Nc1cc(ccc1Cl)COCCCF 34a_106256033963_100011934791 [0,2,0,0,0,0|2,0,0]=4 23031 B14R1.232 Nc1cc(ccc1Cl)COCCCO 34a_106256033963_100000230001 [0,2,0,0,0,0|1,0,0]=3 23032 B14R1.232 Nc1cc(ccc1Cl)OCCCCF 34a_100011934297_100000729493 [0,2,0,0,0,0|2,0,0]=4 23033 B14R1.232 Nc1cc(ccc1Cl)OCCCCO 34a_100011934297_100011216708 [0,2,0,0,0,0|1,0,0]=3 23034 B14R1.232 Nc1cc(ccc1Cl)SCCCCF 62a_100000729493_200000761891 [0,2,0,0,0,0|2,0,0]=4 23035 B14R1.232 Nc1cc(ccc1Cl)SCCCCF 62a_200000761891_100000729493 [0,2,0,0,0,0|2,0,0]=4 23036 B14R1.232 Nc1cc(ccc1Cl)SCCCCO 62a_100000210776_200000761891 [0,2,0,0,0,0|1,0,0]=3 23037 B14R1.232 Nc1cc(ccc1Cl)SCCCCO 62a_200000761891_100000210776 [0,2,0,0,0,0|1,0,0]=3 23038 B14R1.232 Nc1cc(ccc1F)COCCCF 34a_102125399562_100011934791 [0,2,0,0,0,0|2,0,0]=4 23039 B14R1.232 Nc1cc(ccc1F)COCCCO 34a_102125399562_100000230001 [0,2,0,0,0,0|1,0,0]=3 23040 B14R1.232 Nc1cc(ccc1F)OCCCCF 34a_100012017239_100000729493 [0,2,0,0,0,0|2,0,0]=4 23041 B14R1.232 Nc1cc(ccc1F)OCCCCF 7a_100012017239_100000729493 [0,2,0,0,0,0|2,0,0]=4 23042 B14R1.232 Nc1cc(ccc1F)OCCCCO 34a_100012017239_100011216708 [0,2,0,0,0,0|1,0,0]=3 23043 B14R1.232 Nc1cc(ccc1F)OCCCCO 7a_100012017239_100000210776 [0,2,0,0,0,0|1,0,0]=3 23044 B14R1.232 Nc1cc(ccc1F)SCCCCF 62a_100000729493_100000740924 [0,2,0,0,0,0|2,0,0]=4 23045 B14R1.232 Nc1cc(ccc1F)SCCCCF 62a_100000740924_100000729493 [0,2,0,0,0,0|2,0,0]=4 23046 B14R1.232 Nc1cc(ccc1F)SCCCCO 62a_100000210776_100000740924 [0,2,0,0,0,0|1,0,0]=3 23047 B14R1.232 Nc1cc(ccc1F)SCCCCO 62a_100000740924_100000210776 [0,2,0,0,0,0|1,0,0]=3 23048 B14R1.232 Nc1cc(ccc1O)SCCCCF 62a_100000729493_100000752626 [0,2,0,0,0,0|2,0,0]=4 23049 B14R1.232 Nc1cc(ccc1O)SCCCCF 62a_100000752626_100000729493 [0,2,0,0,0,0|2,0,0]=4 23050 B14R1.232 Nc1cc(ccc1O)SCCCCO 62a_100000210776_100000752626 [0,2,0,0,0,0|1,0,0]=3 23051 B14R1.232 Nc1cc(ccc1O)SCCCCO 62a_100000752626_100000210776 [0,2,0,0,0,0|1,0,0]=3 23052 B14R1.232 Nc1cc(cnc1Cl)SCCCCO 62a_100000210776_100009828400 [0,2,0,0,0,0|2,0,0]=4 23053 B14R1.232 Nc1cc(cnc1Cl)SCCCCO 62a_100009828400_100000210776 [0,2,0,0,0,0|2,0,0]=4 23054 B14R1.232 Nc1cc(cnc1F)SCCCCO 62a_100000210776_100009816798 [0,2,0,0,0,0|2,0,0]=4 23055 B14R1.232 Nc1cc(cnc1F)SCCCCO 62a_100009816798_100000210776 [0,2,0,0,0,0|2,0,0]=4 23056 B14R1.232 Nc1cc(cnc1N)SCCCCO 62a_100000184470_100000210776 [0,2,0,0,0,0|2,0,0]=4 23057 B14R1.232 Nc1cc(cnc1N)SCCCCO 62a_100000210776_100000184470 [0,2,0,0,0,0|2,0,0]=4 23058 B14R1.232 Nc1cc(cnc1O)SCCCCO 62a_100000210776_100000743729 [0,2,0,0,0,0|2,0,0]=4 23059 B14R1.232 Nc1cc(cnc1O)SCCCCO 62a_100000743729_100000210776 [0,2,0,0,0,0|2,0,0]=4 23060 B14R1.232 Nc1cc(ncc1F)SCCCCO 62a_100000126464_100000210776 [0,2,0,0,0,0|2,0,0]=4 23061 B14R1.232 Nc1cc(ncc1F)SCCCCO 62a_100000210776_100000126464 [0,2,0,0,0,0|2,0,0]=4 23062 B14R1.232 Nc1cc(ncc1O)SCCCCO 62a_100000210776_100009819941 [0,2,0,0,0,0|2,0,0]=4 23063 B14R1.232 Nc1cc(ncc1O)SCCCCO 62a_100009819941_100000210776 [0,2,0,0,0,0|2,0,0]=4 23064 B14R1.232 Nc1ccc(cc1Br)OCCCCF 34a_100012001276_100000729493 [0,2,0,0,0,0|2,0,0]=4 23065 B14R1.232 Nc1ccc(cc1Br)OCCCCF 7a_100012001276_100000729493 [0,2,0,0,0,0|2,0,0]=4 23066 B14R1.232 Nc1ccc(cc1Br)OCCCCO 34a_100012001276_100011216708 [0,2,0,0,0,0|1,0,0]=3 23067 B14R1.232 Nc1ccc(cc1Br)OCCCCO 7a_100012001276_100000210776 [0,2,0,0,0,0|1,0,0]=3 23068 B14R1.232 Nc1ccc(cc1Br)SCCCCF 62a_100000729493_100000750455 [0,2,0,0,0,0|2,0,0]=4 23069 B14R1.232 Nc1ccc(cc1Br)SCCCCF 62a_100000750455_100000729493 [0,2,0,0,0,0|2,0,0]=4 23070 B14R1.232 Nc1ccc(cc1Br)SCCCCO 62a_100000210776_100000750455 [0,2,0,0,0,0|1,0,0]=3 23071 B14R1.232 Nc1ccc(cc1Br)SCCCCO 62a_100000750455_100000210776 [0,2,0,0,0,0|1,0,0]=3 23072 B14R1.232 Nc1ccc(cc1Cl)OCCCCF 34a_100011215599_100000729493 [0,2,0,0,0,0|2,0,0]=4 23073 B14R1.232 Nc1ccc(cc1Cl)OCCCCF 7a_100011215599_100000729493 [0,2,0,0,0,0|2,0,0]=4 23074 B14R1.232 Nc1ccc(cc1Cl)OCCCCO 34a_100011215599_100011216708 [0,2,0,0,0,0|1,0,0]=3 23075 B14R1.232 Nc1ccc(cc1Cl)OCCCCO 7a_100011215599_100000210776 [0,2,0,0,0,0|1,0,0]=3 23076 B14R1.232 Nc1ccc(cc1Cl)SCCCCF 62a_100000729493_100011218065 [0,2,0,0,0,0|2,0,0]=4 23077 B14R1.232 Nc1ccc(cc1Cl)SCCCCF 62a_100011218065_100000729493 [0,2,0,0,0,0|2,0,0]=4 23078 B14R1.232 Nc1ccc(cc1Cl)SCCCCO 62a_100000210776_100011218065 [0,2,0,0,0,0|1,0,0]=3 23079 B14R1.232 Nc1ccc(cc1Cl)SCCCCO 62a_100011218065_100000210776 [0,2,0,0,0,0|1,0,0]=3 23080 B14R1.232 Nc1ccc(cc1F)COCCCF 34a_100011217239_100011934791 [0,2,0,0,0,0|2,0,0]=4 23081 B14R1.232 Nc1ccc(cc1F)COCCCO 34a_100011217239_100000230001 [0,2,0,0,0,0|1,0,0]=3 23082 B14R1.232 Nc1ccc(cc1F)OCCCCF 34a_100000759473_100000729493 [0,2,0,0,0,0|2,0,0]=4 23083 B14R1.232 Nc1ccc(cc1F)OCCCCF 7a_100000759473_100000729493 [0,2,0,0,0,0|2,0,0]=4 23084 B14R1.232 Nc1ccc(cc1F)OCCCCO 34a_100000759473_100011216708 [0,2,0,0,0,0|1,0,0]=3 23085 B14R1.232 Nc1ccc(cc1F)OCCCCO 7a_100000759473_100000210776 [0,2,0,0,0,0|1,0,0]=3 23086 B14R1.232 Nc1ccc(cc1F)SCCCCF 62a_100000729493_100011215594 [0,2,0,0,0,0|2,0,0]=4 23087 B14R1.232 Nc1ccc(cc1F)SCCCCF 62a_100011215594_100000729493 [0,2,0,0,0,0|2,0,0]=4 23088 B14R1.232 Nc1ccc(cc1F)SCCCCO 62a_100000210776_100011215594 [0,2,0,0,0,0|1,0,0]=3 23089 B14R1.232 Nc1ccc(cc1F)SCCCCO 62a_100011215594_100000210776 [0,2,0,0,0,0|1,0,0]=3 23090 B14R1.232 Nc1ccc(cc1I)OCCCCF 34a_100010084370_100000729493 [0,2,0,0,0,0|2,0,0]=4 23091 B14R1.232 Nc1ccc(cc1I)OCCCCF 7a_100010084370_100000729493 [0,2,0,0,0,0|2,0,0]=4 23092 B14R1.232 Nc1ccc(cc1I)OCCCCO 34a_100010084370_100011216708 [0,2,0,0,0,0|1,0,0]=3 23093 B14R1.232 Nc1ccc(cc1I)OCCCCO 7a_100010084370_100000210776 [0,2,0,0,0,0|1,0,0]=3 23094 B14R1.232 Nc1ccc(cc1N)OCCCCF 34a_100025771000_100000729493 [0,2,0,0,0,0|2,0,0]=4 23095 B14R1.232 Nc1ccc(cc1N)OCCCCO 34a_100025771000_100011216708 [0,2,0,0,0,0|1,0,0]=3 23096 B14R1.232 Nc1ccc(cc1N)SCCCCF 62a_100000729493_100011534411 [0,2,0,0,0,0|2,0,0]=4 23097 B14R1.232 Nc1ccc(cc1N)SCCCCF 62a_100000741789_100000729493 [0,2,0,0,0,0|2,0,0]=4 23098 B14R1.232 Nc1ccc(cc1N)SCCCCO 62a_100000210776_100011534411 [0,2,0,0,0,0|1,0,0]=3 23099 B14R1.232 Nc1ccc(cc1N)SCCCCO 62a_100000741789_100000210776 [0,2,0,0,0,0|1,0,0]=3 23100 B14R1.232 Nc1ccc(cc1O)SCCCCF 62a_100000729493_100000739049 [0,2,0,0,0,0|2,0,0]=4 23101 B14R1.232 Nc1ccc(cc1O)SCCCCF 62a_100000739049_100000729493 [0,2,0,0,0,0|2,0,0]=4 23102 B14R1.232 Nc1ccc(cc1O)SCCCCO 62a_100000210776_100000739049 [0,2,0,0,0,0|1,0,0]=3 23103 B14R1.232 Nc1ccc(cc1O)SCCCCO 62a_100000739049_100000210776 [0,2,0,0,0,0|1,0,0]=3 23104 B14R1.232 Nc1ccc(nc1Cl)SCCCCO 62a_100000210776_200010233646 [0,2,0,0,0,0|2,0,0]=4 23105 B14R1.232 Nc1ccc(nc1Cl)SCCCCO 62a_200010233646_100000210776 [0,2,0,0,0,0|2,0,0]=4 23106 B14R1.232 Nc1ccc(nc1F)SCCCCO 62a_100000210776_100009856439 [0,2,0,0,0,0|2,0,0]=4 23107 B14R1.232 Nc1ccc(nc1F)SCCCCO 62a_100009856439_100000210776 [0,2,0,0,0,0|2,0,0]=4 23108 B14R1.232 Nc1ccc(nc1N)SCCCCO 62a_100000747239_100000210776 [0,2,0,0,0,0|2,0,0]=4 23109 B14R1.232 Nc1ccc(nc1O)SCCCCO 62a_100000718904_100000210776 [0,2,0,0,0,0|2,0,0]=4 23110 B14R1.232 Nc1cnc(cc1N)SCCCCO 62a_100000067514_100000210776 [0,2,0,0,0,0|2,0,0]=4 23111 B14R1.232 Nc1cnc(cc1N)SCCCCO 62a_100000210776_100000067514 [0,2,0,0,0,0|2,0,0]=4 23112 B14R1.232 Nc1nc(ccc1F)SCCCCO 62a_100000210776_100016091773 [0,2,0,0,0,0|2,0,0]=4 23113 B14R1.232 Nc1nc(ccc1F)SCCCCO 62a_100016091773_100000210776 [0,2,0,0,0,0|2,0,0]=4 23114 B14R1.232 Nc1nc(ccc1O)SCCCCO 62a_100000210776_100000685527 [0,2,0,0,0,0|2,0,0]=4 23115 B14R1.232 Nc1nc(ccc1O)SCCCCO 62a_100000685527_100000210776 [0,2,0,0,0,0|2,0,0]=4 23116 B14R1.232 Nc1ncc(cc1Br)COCCCO 34a_100012343677_100000230001 [0,2,0,0,0,0|2,0,0]=4 23117 B14R1.232 Nc1ncc(cc1Br)COCCCO 7a_100012343677_100011215043 [0,2,0,0,0,0|2,0,0]=4 23118 B14R1.232 Nc1ncc(cc1Br)SCCCCO 62a_100000210776_100012353989 [0,2,0,0,0,0|2,0,0]=4 23119 B14R1.232 Nc1ncc(cc1Br)SCCCCO 62a_100012353989_100000210776 [0,2,0,0,0,0|2,0,0]=4 23120 B14R1.232 Nc1ncc(cc1Cl)SCCCCO 62a_100000210776_100012356299 [0,2,0,0,0,0|2,0,0]=4 23121 B14R1.232 Nc1ncc(cc1Cl)SCCCCO 62a_100012356299_100000210776 [0,2,0,0,0,0|2,0,0]=4 23122 B14R1.232 Nc1ncc(cc1F)SCCCCO 62a_100000210776_100000693161 [0,2,0,0,0,0|2,0,0]=4 23123 B14R1.232 Nc1ncc(cc1F)SCCCCO 62a_100000693161_100000210776 [0,2,0,0,0,0|2,0,0]=4 23124 B14R1.232 Nc1ncc(cc1O)SCCCCO 62a_100000210776_100009819042 [0,2,0,0,0,0|2,0,0]=4 23125 B14R1.232 Nc1ncc(cc1O)SCCCCO 62a_100009819042_100000210776 [0,2,0,0,0,0|2,0,0]=4 23126 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCO 62a_100000210776_100010125443 [0,2,0,0,0,0|2,0,0]=4 23127 B14R1.232 O=c1[nH]cc(cc1Br)SCCCCO 62a_100010125443_100000210776 [0,2,0,0,0,0|2,0,0]=4 23128 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCO 207a_100000182051_100000051075 [0,2,0,0,0,0|2,0,0]=4 23129 B14R1.232 O=c1[nH]cc(cc1Cl)CNCCCO 270004a_100000182051_100000051075 [0,2,0,0,0,0|2,0,0]=4 23130 B14R1.232 O=c1[nH]cc(cc1F)SCCCCO 62a_100000210776_100000723523 [0,2,0,0,0,0|2,0,0]=4 23131 B14R1.232 O=c1[nH]cc(cc1F)SCCCCO 62a_100000723523_100000210776 [0,2,0,0,0,0|2,0,0]=4 23132 B14R1.232 O=c1[nH]cc(cc1O)SCCCCO 62a_100000210776_100009814561 [0,2,0,0,0,0|2,0,0]=4 23133 B14R1.232 O=c1cc(occ1O)CSCCCO 62a_100011215043_100000010605 [0,2,0,0,0,0|2,0,0]=4 23134 B14R1.232 OCCCCNc1ccc(c(c1)Br)Br 2230a_100011306057_100000210776 [0,2,0,0,0,0|1,0,0]=3 23135 B14R1.232 OCCCCNc1ccc(c(c1)Br)Br 34a_100011306057_100011216708 [0,2,0,0,0,0|1,0,0]=3 23136 B14R1.232 OCCCCNc1ccc(c(c1)Br)Br 7a_100011306057_100000210776 [0,2,0,0,0,0|1,0,0]=3 23137 B14R1.232 OCCCCNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000210776 [0,2,0,0,0,0|1,0,0]=3 23138 B14R1.232 OCCCCNc1ccc(c(c1)Br)Cl 34a_100000686031_100011216708 [0,2,0,0,0,0|1,0,0]=3 23139 B14R1.232 OCCCCNc1ccc(c(c1)Br)F 2230a_100000760356_100000210776 [0,2,0,0,0,0|1,0,0]=3 23140 B14R1.232 OCCCCNc1ccc(c(c1)Br)F 34a_100000760356_100011216708 [0,2,0,0,0,0|1,0,0]=3 23141 B14R1.232 OCCCCNc1ccc(c(c1)Br)F 7a_100000760356_100000210776 [0,2,0,0,0,0|1,0,0]=3 23142 B14R1.232 OCCCCNc1ccc(c(c1)Br)I 34a_100000750458_100011216708 [0,2,0,0,0,0|1,0,0]=3 23143 B14R1.232 OCCCCNc1ccc(c(c1)Br)O 34a_100011534360_100011216708 [0,2,0,0,0,0|1,0,0]=3 23144 B14R1.232 OCCCCNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000210776 [0,2,0,0,0,0|1,0,0]=3 23145 B14R1.232 OCCCCNc1ccc(c(c1)Cl)Br 34a_100000687081_100011216708 [0,2,0,0,0,0|1,0,0]=3 23146 B14R1.232 OCCCCNc1ccc(c(c1)Cl)Br 7a_100000687081_100000210776 [0,2,0,0,0,0|1,0,0]=3 23147 B14R1.232 OCCCCNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000210776 [0,2,0,0,0,0|1,0,0]=3 23148 B14R1.232 OCCCCNc1ccc(c(c1)Cl)Cl 34a_100000184108_100011216708 [0,2,0,0,0,0|1,0,0]=3 23149 B14R1.232 OCCCCNc1ccc(c(c1)Cl)F 2230a_100000211060_100000210776 [0,2,0,0,0,0|1,0,0]=3 23150 B14R1.232 OCCCCNc1ccc(c(c1)Cl)F 34a_100000211060_100011216708 [0,2,0,0,0,0|1,0,0]=3 23151 B14R1.232 OCCCCNc1ccc(c(c1)Cl)F 7a_100000211060_100000210776 [0,2,0,0,0,0|1,0,0]=3 23152 B14R1.232 OCCCCNc1ccc(c(c1)Cl)I 34a_100000761885_100011216708 [0,2,0,0,0,0|1,0,0]=3 23153 B14R1.232 OCCCCNc1ccc(c(c1)Cl)O 34a_100000744943_100011216708 [0,2,0,0,0,0|1,0,0]=3 23154 B14R1.232 OCCCCNc1ccc(c(c1)F)Br 2230a_100000759894_100000210776 [0,2,0,0,0,0|1,0,0]=3 23155 B14R1.232 OCCCCNc1ccc(c(c1)F)Br 34a_100000759894_100011216708 [0,2,0,0,0,0|1,0,0]=3 23156 B14R1.232 OCCCCNc1ccc(c(c1)F)Br 7a_100000759894_100000210776 [0,2,0,0,0,0|1,0,0]=3 23157 B14R1.232 OCCCCNc1ccc(c(c1)F)Cl 2230a_100000739366_100000210776 [0,2,0,0,0,0|1,0,0]=3 23158 B14R1.232 OCCCCNc1ccc(c(c1)F)Cl 34a_100000739366_100011216708 [0,2,0,0,0,0|1,0,0]=3 23159 B14R1.232 OCCCCNc1ccc(c(c1)F)Cl 7a_100000739366_100000210776 [0,2,0,0,0,0|1,0,0]=3 23160 B14R1.232 OCCCCNc1ccc(c(c1)F)F 2230a_100000210724_100000210776 [0,2,0,0,0,0|1,0,0]=3 23161 B14R1.232 OCCCCNc1ccc(c(c1)F)F 34a_100000210724_100011216708 [0,2,0,0,0,0|1,0,0]=3 23162 B14R1.232 OCCCCNc1ccc(c(c1)F)F 7a_100000210724_100000210776 [0,2,0,0,0,0|1,0,0]=3 23163 B14R1.232 OCCCCNc1ccc(c(c1)F)I 34a_100011356925_100011216708 [0,2,0,0,0,0|1,0,0]=3 23164 B14R1.232 OCCCCNc1ccc(c(c1)F)I 7a_100011356925_100000210776 [0,2,0,0,0,0|1,0,0]=3 23165 B14R1.232 OCCCCNc1ccc(c(c1)F)O 34a_100011220035_100011216708 [0,2,0,0,0,0|1,0,0]=3 23166 B14R1.232 OCCCCNc1ccc(c(c1)F)O 7a_100011220035_100000210776 [0,2,0,0,0,0|1,0,0]=3 23167 B14R1.232 OCCCCNc1ccc(c(c1)I)Br 34a_100000750459_100011216708 [0,2,0,0,0,0|1,0,0]=3 23168 B14R1.232 OCCCCNc1ccc(c(c1)I)Cl 34a_100012360549_100011216708 [0,2,0,0,0,0|1,0,0]=3 23169 B14R1.232 OCCCCNc1ccc(c(c1)I)F 34a_114828291077_100011216708 [0,2,0,0,0,0|1,0,0]=3 23170 B14R1.232 OCCCCNc1ccc(c(c1)I)F 7a_114828291077_100000210776 [0,2,0,0,0,0|1,0,0]=3 23171 B14R1.232 OCCCCNc1ccc(c(c1)O)Cl 34a_100011934209_100011216708 [0,2,0,0,0,0|1,0,0]=3 23172 B14R1.232 OCCCCNc1ccc(c(c1)O)F 34a_100012017398_100011216708 [0,2,0,0,0,0|1,0,0]=3 23173 B14R1.232 OCCCCNc1ccc(c(c1)O)F 7a_100012017398_100000210776 [0,2,0,0,0,0|1,0,0]=3 23174 B14R1.232 OCCCCNc1ccc(c(c1)O)O 34a_100102946323_100011216708 [0,2,0,0,0,0|1,0,0]=3 23175 B14R1.232 OCCCCNc1ccc(c(n1)F)Br 27a_100000750430_100010134343 [0,2,0,0,0,0|2,0,0]=4 23176 B14R1.232 OCCCCOc1cc(c(cn1)Br)Cl 34a_100010369989_100011216708 [0,2,0,0,0,0|2,0,0]=4 23177 B14R1.232 OCCCCOc1cc(c(cn1)Cl)Cl 34a_200000099200_100011216708 [0,2,0,0,0,0|2,0,0]=4 23178 B14R1.232 OCCCCOc1ccc(c(c1)Br)Cl 34a_100011933957_100011216708 [0,2,0,0,0,0|1,0,0]=3 23179 B14R1.232 OCCCCOc1ccc(c(c1)Br)Cl 7a_100011933957_100000210776 [0,2,0,0,0,0|1,0,0]=3 23180 B14R1.232 OCCCCOc1ccc(c(c1)Br)F 34a_100000693481_100011216708 [0,2,0,0,0,0|1,0,0]=3 23181 B14R1.232 OCCCCOc1ccc(c(c1)Br)F 7a_100000693481_100000210776 [0,2,0,0,0,0|1,0,0]=3 23182 B14R1.232 OCCCCOc1ccc(c(c1)Br)I 34a_100000701344_100011216708 [0,2,0,0,0,0|1,0,0]=3 23183 B14R1.232 OCCCCOc1ccc(c(c1)Br)I 7a_100000701344_100000210776 [0,2,0,0,0,0|1,0,0]=3 23184 B14R1.232 OCCCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100011216708 [0,2,0,0,0,0|1,0,0]=3 23185 B14R1.232 OCCCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000210776 [0,2,0,0,0,0|1,0,0]=3 23186 B14R1.232 OCCCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100011216708 [0,2,0,0,0,0|1,0,0]=3 23187 B14R1.232 OCCCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000210776 [0,2,0,0,0,0|1,0,0]=3 23188 B14R1.232 OCCCCOc1ccc(c(c1)Cl)F 34a_100000211030_100011216708 [0,2,0,0,0,0|1,0,0]=3 23189 B14R1.232 OCCCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000210776 [0,2,0,0,0,0|1,0,0]=3 23190 B14R1.232 OCCCCOc1ccc(c(c1)Cl)I 34a_100000047559_100011216708 [0,2,0,0,0,0|1,0,0]=3 23191 B14R1.232 OCCCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000210776 [0,2,0,0,0,0|1,0,0]=3 23192 B14R1.232 OCCCCOc1ccc(c(c1)F)Br 34a_100000755031_100011216708 [0,2,0,0,0,0|1,0,0]=3 23193 B14R1.232 OCCCCOc1ccc(c(c1)F)Br 7a_100000755031_100000210776 [0,2,0,0,0,0|1,0,0]=3 23194 B14R1.232 OCCCCOc1ccc(c(c1)F)Cl 34a_100000691581_100011216708 [0,2,0,0,0,0|1,0,0]=3 23195 B14R1.232 OCCCCOc1ccc(c(c1)F)Cl 7a_100000691581_100000210776 [0,2,0,0,0,0|1,0,0]=3 23196 B14R1.232 OCCCCOc1ccc(c(c1)F)F 34a_100000181275_100011216708 [0,2,0,0,0,0|1,0,0]=3 23197 B14R1.232 OCCCCOc1ccc(c(c1)F)F 7a_100000181275_100000210776 [0,2,0,0,0,0|1,0,0]=3 23198 B14R1.232 OCCCCOc1ccc(c(c1)F)I 34a_100009990212_100011216708 [0,2,0,0,0,0|1,0,0]=3 23199 B14R1.232 OCCCCOc1ccc(c(c1)F)I 7a_100009990212_100000210776 [0,2,0,0,0,0|1,0,0]=3 23200 B14R1.232 OCCCCOc1ccc(c(c1)I)Br 34a_100012339312_100011216708 [0,2,0,0,0,0|1,0,0]=3 23201 B14R1.232 OCCCCOc1ccc(c(c1)I)Br 7a_100012339312_100000210776 [0,2,0,0,0,0|1,0,0]=3 23202 B14R1.232 OCCCCOc1ccc(c(c1)I)Cl 34a_100000049588_100011216708 [0,2,0,0,0,0|1,0,0]=3 23203 B14R1.232 OCCCCOc1ccc(c(c1)I)Cl 7a_100000049588_100000210776 [0,2,0,0,0,0|1,0,0]=3 23204 B14R1.232 OCCCCOc1ccc(c(n1)F)Br 34a_100009879308_100011216708 [0,2,0,0,0,0|2,0,0]=4 23205 B14R1.232 OCCCCOc1cnc(c(c1)Br)Cl 34a_100012356455_100011216708 [0,2,0,0,0,0|2,0,0]=4 23206 B14R1.232 OCCCCOc1cnc(c(c1)Br)Cl 7a_100012356455_100000210776 [0,2,0,0,0,0|2,0,0]=4 23207 B14R1.232 OCCCCOc1cnc(c(c1)Br)F 34a_100009817267_100011216708 [0,2,0,0,0,0|2,0,0]=4 23208 B14R1.232 OCCCCOc1cnc(c(c1)Br)F 7a_100009817267_100000210776 [0,2,0,0,0,0|2,0,0]=4 23209 B14R1.232 OCCCCOc1cnc(c(c1)Cl)Br 34a_100010209684_100011216708 [0,2,0,0,0,0|2,0,0]=4 23210 B14R1.232 OCCCCOc1cnc(c(c1)Cl)Br 7a_100010209684_100000210776 [0,2,0,0,0,0|2,0,0]=4 23211 B14R1.232 OCCCCOc1cnc(c(c1)Cl)Cl 34a_100000094354_100011216708 [0,2,0,0,0,0|2,0,0]=4 23212 B14R1.232 OCCCCOc1cnc(c(c1)Cl)Cl 7a_100000094354_100000210776 [0,2,0,0,0,0|2,0,0]=4 23213 B14R1.232 OCCCCOc1cnc(c(c1)Cl)F 34a_100000087088_100011216708 [0,2,0,0,0,0|2,0,0]=4 23214 B14R1.232 OCCCCOc1cnc(c(c1)Cl)F 7a_100000087088_100000210776 [0,2,0,0,0,0|2,0,0]=4 23215 B14R1.232 OCCCCOc1cnc(c(c1)F)Cl 34a_100000063512_100011216708 [0,2,0,0,0,0|2,0,0]=4 23216 B14R1.232 OCCCCOc1cnc(c(c1)F)Cl 7a_100000063512_100000210776 [0,2,0,0,0,0|2,0,0]=4 23217 B14R1.232 OCCCCSc1cc(c(cn1)F)O 62a_100000210776_100009854642 [0,2,0,0,0,0|2,0,0]=4 23218 B14R1.232 OCCCCSc1cc(c(cn1)F)O 62a_100009854642_100000210776 [0,2,0,0,0,0|2,0,0]=4 23219 B14R1.232 OCCCCSc1ccc(c(c1)Br)Br 62a_100000210776_100012356285 [0,2,0,0,0,0|1,0,0]=3 23220 B14R1.232 OCCCCSc1ccc(c(c1)Br)Br 62a_100012356285_100000210776 [0,2,0,0,0,0|1,0,0]=3 23221 B14R1.232 OCCCCSc1ccc(c(c1)Br)Cl 62a_100000210776_100012353702 [0,2,0,0,0,0|1,0,0]=3 23222 B14R1.232 OCCCCSc1ccc(c(c1)Br)Cl 62a_100012353702_100000210776 [0,2,0,0,0,0|1,0,0]=3 23223 B14R1.232 OCCCCSc1ccc(c(c1)Br)F 62a_100000210776_100012047266 [0,2,0,0,0,0|1,0,0]=3 23224 B14R1.232 OCCCCSc1ccc(c(c1)Br)F 62a_100012047266_100000210776 [0,2,0,0,0,0|1,0,0]=3 23225 B14R1.232 OCCCCSc1ccc(c(c1)Br)O 62a_100000210776_100012361655 [0,2,0,0,0,0|1,0,0]=3 23226 B14R1.232 OCCCCSc1ccc(c(c1)Br)O 62a_100012361655_100000210776 [0,2,0,0,0,0|1,0,0]=3 23227 B14R1.232 OCCCCSc1ccc(c(c1)Cl)Br 62a_100000210776_100012047281 [0,2,0,0,0,0|1,0,0]=3 23228 B14R1.232 OCCCCSc1ccc(c(c1)Cl)Br 62a_100012047281_100000210776 [0,2,0,0,0,0|1,0,0]=3 23229 B14R1.232 OCCCCSc1ccc(c(c1)Cl)Cl 62a_100000210776_100011214914 [0,2,0,0,0,0|1,0,0]=3 23230 B14R1.232 OCCCCSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000210776 [0,2,0,0,0,0|1,0,0]=3 23231 B14R1.232 OCCCCSc1ccc(c(c1)Cl)F 62a_100000210776_100011215976 [0,2,0,0,0,0|1,0,0]=3 23232 B14R1.232 OCCCCSc1ccc(c(c1)Cl)F 62a_100011215976_100000210776 [0,2,0,0,0,0|1,0,0]=3 23233 B14R1.232 OCCCCSc1ccc(c(c1)Cl)O 62a_100000210776_100012360047 [0,2,0,0,0,0|1,0,0]=3 23234 B14R1.232 OCCCCSc1ccc(c(c1)Cl)O 62a_100012360047_100000210776 [0,2,0,0,0,0|1,0,0]=3 23235 B14R1.232 OCCCCSc1ccc(c(c1)F)Br 62a_100000210776_100000685389 [0,2,0,0,0,0|1,0,0]=3 23236 B14R1.232 OCCCCSc1ccc(c(c1)F)Br 62a_100000685389_100000210776 [0,2,0,0,0,0|1,0,0]=3 23237 B14R1.232 OCCCCSc1ccc(c(c1)F)Cl 62a_100000210776_100011216805 [0,2,0,0,0,0|1,0,0]=3 23238 B14R1.232 OCCCCSc1ccc(c(c1)F)Cl 62a_100011216805_100000210776 [0,2,0,0,0,0|1,0,0]=3 23239 B14R1.232 OCCCCSc1ccc(c(c1)F)F 62a_100000210776_100000703953 [0,2,0,0,0,0|1,0,0]=3 23240 B14R1.232 OCCCCSc1ccc(c(c1)F)F 62a_100000703953_100000210776 [0,2,0,0,0,0|1,0,0]=3 23241 B14R1.232 OCCCCSc1ccc(c(c1)F)O 62a_100000185481_100000210776 [0,2,0,0,0,0|1,0,0]=3 23242 B14R1.232 OCCCCSc1ccc(c(c1)F)O 62a_100000210776_100000185481 [0,2,0,0,0,0|1,0,0]=3 23243 B14R1.232 OCCCCSc1ccc(c(c1)O)Br 62a_100000210776_100012356990 [0,2,0,0,0,0|1,0,0]=3 23244 B14R1.232 OCCCCSc1ccc(c(c1)O)Br 62a_100012356990_100000210776 [0,2,0,0,0,0|1,0,0]=3 23245 B14R1.232 OCCCCSc1ccc(c(c1)O)Cl 62a_100000210776_100011356854 [0,2,0,0,0,0|1,0,0]=3 23246 B14R1.232 OCCCCSc1ccc(c(c1)O)Cl 62a_100011356854_100000210776 [0,2,0,0,0,0|1,0,0]=3 23247 B14R1.232 OCCCCSc1ccc(c(c1)O)F 62a_100000210776_100000686035 [0,2,0,0,0,0|1,0,0]=3 23248 B14R1.232 OCCCCSc1ccc(c(c1)O)F 62a_100000686035_100000210776 [0,2,0,0,0,0|1,0,0]=3 23249 B14R1.232 OCCCCSc1ccc(c(c1)O)O 62a_100000210776_100009813601 [0,2,0,0,0,0|1,0,0]=3 23250 B14R1.232 OCCCCSc1ccc(c(n1)Br)O 62a_100000210776_100000725334 [0,2,0,0,0,0|2,0,0]=4 23251 B14R1.232 OCCCCSc1ccc(c(n1)Br)O 62a_100000725334_100000210776 [0,2,0,0,0,0|2,0,0]=4 23252 B14R1.232 OCCCCSc1ccc(c(n1)Cl)O 62a_100000210776_100000721234 [0,2,0,0,0,0|2,0,0]=4 23253 B14R1.232 OCCCCSc1ccc(c(n1)F)Br 62a_100000210776_100010134343 [0,2,0,0,0,0|2,0,0]=4 23254 B14R1.232 OCCCCSc1ccc(c(n1)F)Br 62a_100010134343_100000210776 [0,2,0,0,0,0|2,0,0]=4 23255 B14R1.232 OCCCCSc1ccc(c(n1)F)O 62a_100000210776_100009819667 [0,2,0,0,0,0|2,0,0]=4 23256 B14R1.232 OCCCCSc1ccc(c(n1)F)O 62a_100009819667_100000210776 [0,2,0,0,0,0|2,0,0]=4 23257 B14R1.232 OCCCCSc1ccc(c(n1)O)F 62a_100000210776_100010729010 [0,2,0,0,0,0|2,0,0]=4 23258 B14R1.232 OCCCCSc1cnc(c(c1)Br)Cl 62a_100000210776_100010172733 [0,2,0,0,0,0|2,0,0]=4 23259 B14R1.232 OCCCCSc1cnc(c(c1)Br)Cl 62a_100010172733_100000210776 [0,2,0,0,0,0|2,0,0]=4 23260 B14R1.232 OCCCCSc1cnc(c(c1)Cl)O 62a_100000210776_100010238531 [0,2,0,0,0,0|2,0,0]=4 23261 B14R1.232 OCCCCSc1cnc(c(c1)Cl)O 62a_100010238531_100000210776 [0,2,0,0,0,0|2,0,0]=4 23262 B14R1.232 OCCCCSc1cnc(c(c1)F)F 62a_100000210776_100009817721 [0,2,0,0,0,0|2,0,0]=4 23263 B14R1.232 OCCCCSc1cnc(c(c1)F)F 62a_100009817721_100000210776 [0,2,0,0,0,0|2,0,0]=4 23264 B14R1.232 OCCCCSc1cnc(c(c1)O)F 62a_100000210776_100009819871 [0,2,0,0,0,0|2,0,0]=4 23265 B14R1.232 OCCCCSc1cnc(c(c1)O)F 62a_100009819871_100000210776 [0,2,0,0,0,0|2,0,0]=4 23266 B14R1.232 OCCCNCc1ccc(c(c1)Br)Br 207a_100000182051_100011215943 [0,2,0,0,0,0|1,0,0]=3 23267 B14R1.232 OCCCNCc1ccc(c(c1)Br)Br 2230a_100012351559_100000230001 [0,2,0,0,0,0|1,0,0]=3 23268 B14R1.232 OCCCNCc1ccc(c(c1)Br)Br 270004a_100000182051_100011215943 [0,2,0,0,0,0|1,0,0]=3 23269 B14R1.232 OCCCNCc1ccc(c(c1)Br)Br 34a_100012351559_100000230001 [0,2,0,0,0,0|1,0,0]=3 23270 B14R1.232 OCCCNCc1ccc(c(c1)Br)Cl 207a_100000182051_100000693810 [0,2,0,0,0,0|1,0,0]=3 23271 B14R1.232 OCCCNCc1ccc(c(c1)Br)Cl 2230a_100012349490_100000230001 [0,2,0,0,0,0|1,0,0]=3 23272 B14R1.232 OCCCNCc1ccc(c(c1)Br)Cl 270004a_100000182051_100000693810 [0,2,0,0,0,0|1,0,0]=3 23273 B14R1.232 OCCCNCc1ccc(c(c1)Br)Cl 34a_100012349490_100000230001 [0,2,0,0,0,0|1,0,0]=3 23274 B14R1.232 OCCCNCc1ccc(c(c1)Br)F 207a_100000182051_100000211747 [0,2,0,0,0,0|1,0,0]=3 23275 B14R1.232 OCCCNCc1ccc(c(c1)Br)F 2230a_100015193890_100000230001 [0,2,0,0,0,0|1,0,0]=3 23276 B14R1.232 OCCCNCc1ccc(c(c1)Br)F 270004a_100000182051_100000211747 [0,2,0,0,0,0|1,0,0]=3 23277 B14R1.232 OCCCNCc1ccc(c(c1)Br)F 34a_100015193890_100000230001 [0,2,0,0,0,0|1,0,0]=3 23278 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Br 207a_100000182051_100000690054 [0,2,0,0,0,0|1,0,0]=3 23279 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Br 2230a_100012362553_100000230001 [0,2,0,0,0,0|1,0,0]=3 23280 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Br 270004a_100000182051_100000690054 [0,2,0,0,0,0|1,0,0]=3 23281 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Br 34a_100012362553_100000230001 [0,2,0,0,0,0|1,0,0]=3 23282 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Cl 207a_100000182051_100000188533 [0,2,0,0,0,0|1,0,0]=3 23283 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Cl 2230a_100000174881_100000230001 [0,2,0,0,0,0|1,0,0]=3 23284 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Cl 270004a_100000182051_100000188533 [0,2,0,0,0,0|1,0,0]=3 23285 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Cl 34a_100000174881_100000230001 [0,2,0,0,0,0|1,0,0]=3 23286 B14R1.232 OCCCNCc1ccc(c(c1)Cl)F 207a_100000182051_100000742290 [0,2,0,0,0,0|1,0,0]=3 23287 B14R1.232 OCCCNCc1ccc(c(c1)Cl)F 2230a_100000749334_100000230001 [0,2,0,0,0,0|1,0,0]=3 23288 B14R1.232 OCCCNCc1ccc(c(c1)Cl)F 270004a_100000182051_100000742290 [0,2,0,0,0,0|1,0,0]=3 23289 B14R1.232 OCCCNCc1ccc(c(c1)Cl)F 34a_100000749334_100000230001 [0,2,0,0,0,0|1,0,0]=3 23290 B14R1.232 OCCCNCc1ccc(c(c1)F)Br 207a_100000182051_100000686674 [0,2,0,0,0,0|1,0,0]=3 23291 B14R1.232 OCCCNCc1ccc(c(c1)F)Br 2230a_100000755036_100000230001 [0,2,0,0,0,0|1,0,0]=3 23292 B14R1.232 OCCCNCc1ccc(c(c1)F)Br 270004a_100000182051_100000686674 [0,2,0,0,0,0|1,0,0]=3 23293 B14R1.232 OCCCNCc1ccc(c(c1)F)Br 34a_100000755036_100000230001 [0,2,0,0,0,0|1,0,0]=3 23294 B14R1.232 OCCCNCc1ccc(c(c1)F)Cl 207a_100000182051_100000745630 [0,2,0,0,0,0|1,0,0]=3 23295 B14R1.232 OCCCNCc1ccc(c(c1)F)Cl 2230a_100011219866_100000230001 [0,2,0,0,0,0|1,0,0]=3 23296 B14R1.232 OCCCNCc1ccc(c(c1)F)Cl 270004a_100000182051_100000745630 [0,2,0,0,0,0|1,0,0]=3 23297 B14R1.232 OCCCNCc1ccc(c(c1)F)Cl 34a_100011219866_100000230001 [0,2,0,0,0,0|1,0,0]=3 23298 B14R1.232 OCCCNCc1ccc(c(c1)F)F 207a_100000182051_100000211062 [0,2,0,0,0,0|1,0,0]=3 23299 B14R1.232 OCCCNCc1ccc(c(c1)F)F 2230a_100000737897_100000230001 [0,2,0,0,0,0|1,0,0]=3 23300 B14R1.232 OCCCNCc1ccc(c(c1)F)F 270004a_100000182051_100000211062 [0,2,0,0,0,0|1,0,0]=3 23301 B14R1.232 OCCCNCc1ccc(c(c1)F)F 34a_100000737897_100000230001 [0,2,0,0,0,0|1,0,0]=3 23302 B14R1.232 OCCCNCc1ccc(c(c1)F)I 207a_100000182051_100000050832 [0,2,0,0,0,0|1,0,0]=3 23303 B14R1.232 OCCCNCc1ccc(c(c1)F)I 270004a_100000182051_100000050832 [0,2,0,0,0,0|1,0,0]=3 23304 B14R1.232 OCCCNCc1ccc(c(c1)F)O 34a_100000758358_100000230001 [0,2,0,0,0,0|1,0,0]=3 23305 B14R1.232 OCCCNCc1ccc(c(c1)I)Br 207a_100000182051_100010146563 [0,2,0,0,0,0|1,0,0]=3 23306 B14R1.232 OCCCNCc1ccc(c(c1)I)Br 270004a_100000182051_100010146563 [0,2,0,0,0,0|1,0,0]=3 23307 B14R1.232 OCCCNCc1ccc(c(c1)I)Cl 207a_100000182051_100010209939 [0,2,0,0,0,0|1,0,0]=3 23308 B14R1.232 OCCCNCc1ccc(c(c1)I)Cl 270004a_100000182051_100010209939 [0,2,0,0,0,0|1,0,0]=3 23309 B14R1.232 OCCCNCc1ccc(c(c1)I)F 207a_100000182051_100010188209 [0,2,0,0,0,0|1,0,0]=3 23310 B14R1.232 OCCCNCc1ccc(c(c1)I)F 270004a_100000182051_100010188209 [0,2,0,0,0,0|1,0,0]=3 23311 B14R1.232 OCCCNCc1ccc(c(c1)O)Cl 34a_100020636435_100000230001 [0,2,0,0,0,0|1,0,0]=3 23312 B14R1.232 OCCCNCc1ccc(c(c1)O)F 34a_100160469508_100000230001 [0,2,0,0,0,0|1,0,0]=3 23313 B14R1.232 OCCCNCc1ccc(c(c1)O)O 34a_100000010075_100000230001 [0,2,0,0,0,0|1,0,0]=3 23314 B14R1.232 OCCCNCc1ccc(c(n1)Cl)Cl 2230a_100009887527_100000230001 [0,2,0,0,0,0|2,0,0]=4 23315 B14R1.232 OCCCNCc1ccc(c(n1)Cl)Cl 34a_100009887527_100000230001 [0,2,0,0,0,0|2,0,0]=4 23316 B14R1.232 OCCCNCc1cnc(c(c1)Br)Cl 207a_100000182051_100010244460 [0,2,0,0,0,0|2,0,0]=4 23317 B14R1.232 OCCCNCc1cnc(c(c1)Br)O 207a_100000182051_100010064886 [0,2,0,0,0,0|2,0,0]=4 23318 B14R1.232 OCCCNCc1cnc(c(c1)Br)O 270004a_100000182051_100010064886 [0,2,0,0,0,0|2,0,0]=4 23319 B14R1.232 OCCCNCc1cnc(c(c1)F)Br 270004a_100000182051_100010064875 [0,2,0,0,0,0|2,0,0]=4 23320 B14R1.232 OCCCNCc1cnc(c(c1)F)Cl 270004a_100000182051_100009866847 [0,2,0,0,0,0|2,0,0]=4 23321 B14R1.232 OCCCOCc1ccc(c(c1)Br)Cl 34a_100012353893_100000230001 [0,2,0,0,0,0|1,0,0]=3 23322 B14R1.232 OCCCOCc1ccc(c(c1)Br)Cl 7a_100012353893_100011215043 [0,2,0,0,0,0|1,0,0]=3 23323 B14R1.232 OCCCOCc1ccc(c(c1)Br)F 34a_100000246287_100000230001 [0,2,0,0,0,0|1,0,0]=3 23324 B14R1.232 OCCCOCc1ccc(c(c1)Br)F 7a_100000246287_100011215043 [0,2,0,0,0,0|1,0,0]=3 23325 B14R1.232 OCCCOCc1ccc(c(c1)Cl)Br 34a_100000709168_100000230001 [0,2,0,0,0,0|1,0,0]=3 23326 B14R1.232 OCCCOCc1ccc(c(c1)Cl)Br 7a_100000709168_100011215043 [0,2,0,0,0,0|1,0,0]=3 23327 B14R1.232 OCCCOCc1ccc(c(c1)Cl)Cl 34a_100000211588_100000230001 [0,2,0,0,0,0|1,0,0]=3 23328 B14R1.232 OCCCOCc1ccc(c(c1)Cl)Cl 7a_100000211588_100011215043 [0,2,0,0,0,0|1,0,0]=3 23329 B14R1.232 OCCCOCc1ccc(c(c1)Cl)F 34a_100011217911_100000230001 [0,2,0,0,0,0|1,0,0]=3 23330 B14R1.232 OCCCOCc1ccc(c(c1)Cl)F 7a_100011217911_100011215043 [0,2,0,0,0,0|1,0,0]=3 23331 B14R1.232 OCCCOCc1ccc(c(c1)Cl)I 34a_100000718186_100000230001 [0,2,0,0,0,0|1,0,0]=3 23332 B14R1.232 OCCCOCc1ccc(c(c1)Cl)I 7a_100000718186_100011215043 [0,2,0,0,0,0|1,0,0]=3 23333 B14R1.232 OCCCOCc1ccc(c(c1)F)Br 34a_100011533735_100000230001 [0,2,0,0,0,0|1,0,0]=3 23334 B14R1.232 OCCCOCc1ccc(c(c1)F)Br 7a_100011533735_100011215043 [0,2,0,0,0,0|1,0,0]=3 23335 B14R1.232 OCCCOCc1ccc(c(c1)F)Cl 34a_100011218299_100000230001 [0,2,0,0,0,0|1,0,0]=3 23336 B14R1.232 OCCCOCc1ccc(c(c1)F)Cl 7a_100011218299_100011215043 [0,2,0,0,0,0|1,0,0]=3 23337 B14R1.232 OCCCOCc1ccc(c(c1)F)F 34a_100011215442_100000230001 [0,2,0,0,0,0|1,0,0]=3 23338 B14R1.232 OCCCOCc1ccc(c(c1)F)F 7a_100011215442_100011215043 [0,2,0,0,0,0|1,0,0]=3 23339 B14R1.232 OCCCOCc1ccc(c(c1)F)I 34a_100010149597_100000230001 [0,2,0,0,0,0|1,0,0]=3 23340 B14R1.232 OCCCOCc1ccc(c(c1)F)I 7a_100010149597_100011215043 [0,2,0,0,0,0|1,0,0]=3 23341 B14R1.232 OCCCOCc1ccc(c(c1)I)F 34a_100000049585_100000230001 [0,2,0,0,0,0|1,0,0]=3 23342 B14R1.232 OCCCOCc1ccc(c(c1)I)F 7a_100000049585_100011215043 [0,2,0,0,0,0|1,0,0]=3 23343 B14R1.232 OCCCOCc1ccc(c(n1)Cl)Br 34a_100010065236_100000230001 [0,2,0,0,0,0|2,0,0]=4 23344 B14R1.232 OCCCOCc1cnc(c(c1)Br)Cl 34a_100010201731_100000230001 [0,2,0,0,0,0|2,0,0]=4 23345 B14R1.232 OCCCOCc1cnc(c(c1)Br)Cl 7a_100010201731_100011215043 [0,2,0,0,0,0|2,0,0]=4 23346 B14R1.232 OCCCOCc1cnc(c(c1)Cl)Cl 34a_100000042784_100000230001 [0,2,0,0,0,0|2,0,0]=4 23347 B14R1.232 OCCCOCc1cnc(c(c1)Cl)Cl 7a_100000042784_100011215043 [0,2,0,0,0,0|2,0,0]=4 23348 B14R1.232 OCCCOCc1cnc(c(c1)F)Br 34a_100010065243_100000230001 [0,2,0,0,0,0|2,0,0]=4 23349 B14R1.232 OCCCOCc1cnc(c(c1)F)Br 7a_100010065243_100011215043 [0,2,0,0,0,0|2,0,0]=4 23350 B14R1.232 OCCCOCc1cnc(c(c1)I)Cl 34a_200015217190_100000230001 [0,2,0,0,0,0|2,0,0]=4 23351 B14R1.232 OCCCOCc1cnc(c(c1)I)Cl 7a_200015217190_100011215043 [0,2,0,0,0,0|2,0,0]=4 23352 B14R1.232 OCCCSCc1ccc(c(c1)Br)Br 62a_100011215043_100012353900 [0,2,0,0,0,0|1,0,0]=3 23353 B14R1.232 OCCCSCc1ccc(c(c1)Br)Br 62a_100012353900_100011215043 [0,2,0,0,0,0|1,0,0]=3 23354 B14R1.232 OCCCSCc1ccc(c(c1)Br)Cl 62a_100011215043_100012353894 [0,2,0,0,0,0|1,0,0]=3 23355 B14R1.232 OCCCSCc1ccc(c(c1)Br)Cl 62a_100012353894_100011215043 [0,2,0,0,0,0|1,0,0]=3 23356 B14R1.232 OCCCSCc1ccc(c(c1)Br)F 62a_100011206884_100011215043 [0,2,0,0,0,0|1,0,0]=3 23357 B14R1.232 OCCCSCc1ccc(c(c1)Br)F 62a_100011215043_100011206884 [0,2,0,0,0,0|1,0,0]=3 23358 B14R1.232 OCCCSCc1ccc(c(c1)Cl)Br 62a_100011215043_100012353895 [0,2,0,0,0,0|1,0,0]=3 23359 B14R1.232 OCCCSCc1ccc(c(c1)Cl)Br 62a_100012353895_100011215043 [0,2,0,0,0,0|1,0,0]=3 23360 B14R1.232 OCCCSCc1ccc(c(c1)Cl)Cl 62a_100000184707_100011215043 [0,2,0,0,0,0|1,0,0]=3 23361 B14R1.232 OCCCSCc1ccc(c(c1)Cl)Cl 62a_100011215043_100000184707 [0,2,0,0,0,0|1,0,0]=3 23362 B14R1.232 OCCCSCc1ccc(c(c1)Cl)F 62a_100000717365_100011215043 [0,2,0,0,0,0|1,0,0]=3 23363 B14R1.232 OCCCSCc1ccc(c(c1)Cl)F 62a_100011215043_100011934319 [0,2,0,0,0,0|1,0,0]=3 23364 B14R1.232 OCCCSCc1ccc(c(c1)Cl)I 62a_100011215043_100012349665 [0,2,0,0,0,0|1,0,0]=3 23365 B14R1.232 OCCCSCc1ccc(c(c1)Cl)I 62a_100012349665_100011215043 [0,2,0,0,0,0|1,0,0]=3 23366 B14R1.232 OCCCSCc1ccc(c(c1)F)Br 62a_100000767054_100011215043 [0,2,0,0,0,0|1,0,0]=3 23367 B14R1.232 OCCCSCc1ccc(c(c1)F)Br 62a_100011215043_100000767054 [0,2,0,0,0,0|1,0,0]=3 23368 B14R1.232 OCCCSCc1ccc(c(c1)F)Cl 62a_100000716492_100011215043 [0,2,0,0,0,0|1,0,0]=3 23369 B14R1.232 OCCCSCc1ccc(c(c1)F)Cl 62a_100011215043_100000716492 [0,2,0,0,0,0|1,0,0]=3 23370 B14R1.232 OCCCSCc1ccc(c(c1)F)F 62a_100000757363_100011215043 [0,2,0,0,0,0|1,0,0]=3 23371 B14R1.232 OCCCSCc1ccc(c(c1)F)F 62a_100011215043_100000757363 [0,2,0,0,0,0|1,0,0]=3 23372 B14R1.232 OCCCSCc1ccc(c(c1)F)I 62a_100010149604_100011215043 [0,2,0,0,0,0|1,0,0]=3 23373 B14R1.232 OCCCSCc1ccc(c(c1)F)I 62a_100011215043_100010149604 [0,2,0,0,0,0|1,0,0]=3 23374 B14R1.232 OCCCSCc1ccc(c(c1)I)Br 62a_100010146616_100011215043 [0,2,0,0,0,0|1,0,0]=3 23375 B14R1.232 OCCCSCc1ccc(c(c1)I)Br 62a_100011215043_100010146616 [0,2,0,0,0,0|1,0,0]=3 23376 B14R1.232 OCCCSCc1ccc(c(c1)I)F 62a_100010188208_100011215043 [0,2,0,0,0,0|1,0,0]=3 23377 B14R1.232 OCCCSCc1ccc(c(c1)I)F 62a_100011215043_100010188208 [0,2,0,0,0,0|1,0,0]=3 23378 B14R1.232 OCCCSCc1cnc(c(c1)Br)F 62a_100011215043_200010066439 [0,2,0,0,0,0|2,0,0]=4 23379 B14R1.232 OCCCSCc1cnc(c(c1)Br)F 62a_200010066439_100011215043 [0,2,0,0,0,0|2,0,0]=4 23380 B14R1.232 OCCCSCc1cnc(c(c1)Cl)Cl 62a_100009843750_100011215043 [0,2,0,0,0,0|2,0,0]=4 23381 B14R1.232 OCCCSCc1cnc(c(c1)Cl)Cl 62a_100011215043_100009843750 [0,2,0,0,0,0|2,0,0]=4 23382 B14R1.232 OCCCSCc1cnc(c(c1)I)Cl 62a_100011072623_100011215043 [0,2,0,0,0,0|2,0,0]=4 23383 B14R1.232 OCCCSCc1cnc(c(c1)I)Cl 62a_100011215043_100011072623 [0,2,0,0,0,0|2,0,0]=4 23384 B14R1.232 OCCNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_100000211926 [0,2,0,0,0,0|1,0,0]=3 23385 B14R1.232 OCCNCCc1ccc(c(c1)Cl)Cl 2230a_100016997473_100011713676 [0,2,0,0,0,0|1,0,0]=3 23386 B14R1.232 OCCNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_100000211926 [0,2,0,0,0,0|1,0,0]=3 23387 B14R1.232 OCCNCCc1ccc(c(c1)Cl)Cl 34a_100016990907_100011713676 [0,2,0,0,0,0|1,0,0]=3 23388 B14R1.232 OCCNCCc1ccc(c(c1)Cl)F 2230a_100016997473_100012361305 [0,2,0,0,0,0|1,0,0]=3 23389 B14R1.232 OCCNCCc1ccc(c(c1)Cl)F 2230a_200011997520_100000211926 [0,2,0,0,0,0|1,0,0]=3 23390 B14R1.232 OCCNCCc1ccc(c(c1)Cl)F 34a_100016990907_100012361305 [0,2,0,0,0,0|1,0,0]=3 23391 B14R1.232 OCCNCCc1ccc(c(c1)Cl)F 34a_200011997520_100000211926 [0,2,0,0,0,0|1,0,0]=3 23392 B14R1.232 OCCNCCc1ccc(c(c1)F)F 2230a_100016997473_100000690553 [0,2,0,0,0,0|1,0,0]=3 23393 B14R1.232 OCCNCCc1ccc(c(c1)F)F 2230a_200000706328_100000211926 [0,2,0,0,0,0|1,0,0]=3 23394 B14R1.232 OCCNCCc1ccc(c(c1)F)F 34a_100016990907_100000690553 [0,2,0,0,0,0|1,0,0]=3 23395 B14R1.232 OCCNCCc1ccc(c(c1)F)F 34a_200000706328_100000211926 [0,2,0,0,0,0|1,0,0]=3 23396 B14R1.232 OCCNCCc1ccc(c(c1)O)O 34a_100000210387_100000211926 [0,2,0,0,0,0|1,0,0]=3 23397 B14R1.232 OCCOCCc1ccc(c(c1)Cl)Cl 34a_100011709245_100000211926 [0,2,0,0,0,0|1,0,0]=3 23398 B14R1.232 OCCOCCc1ccc(c(c1)Cl)Cl 7a_100011709245_100000211926 [0,2,0,0,0,0|1,0,0]=3 23399 B14R1.232 OCCOCCc1ccc(c(c1)Cl)F 34a_100011830478_100000211926 [0,2,0,0,0,0|1,0,0]=3 23400 B14R1.232 OCCOCCc1ccc(c(c1)Cl)F 7a_100011830478_100000211926 [0,2,0,0,0,0|1,0,0]=3 23401 B14R1.232 OCCOCCc1ccc(c(c1)F)Br 34a_100012921202_100000211926 [0,2,0,0,0,0|1,0,0]=3 23402 B14R1.232 OCCOCCc1ccc(c(c1)F)Br 7a_100012921202_100000211926 [0,2,0,0,0,0|1,0,0]=3 23403 B14R1.232 OCCOCCc1ccc(c(c1)F)Cl 34a_100011934464_100000211926 [0,2,0,0,0,0|1,0,0]=3 23404 B14R1.232 OCCOCCc1ccc(c(c1)F)Cl 7a_100011934464_100000211926 [0,2,0,0,0,0|1,0,0]=3 23405 B14R1.232 OCCOCCc1ccc(c(c1)F)F 34a_100000690376_100000211926 [0,2,0,0,0,0|1,0,0]=3 23406 B14R1.232 OCCOCCc1ccc(c(c1)F)F 7a_100000690376_100000211926 [0,2,0,0,0,0|1,0,0]=3 23407 B14R1.232 OCCSCCc1ccc(c(c1)Cl)Cl 62a_100000211926_100011713676 [0,2,0,0,0,0|1,0,0]=3 23408 B14R1.232 OCCSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_100000211926 [0,2,0,0,0,0|1,0,0]=3 23409 B14R1.232 OCCSCCc1ccc(c(c1)Cl)F 62a_100000211926_100012361305 [0,2,0,0,0,0|1,0,0]=3 23410 B14R1.232 OCCSCCc1ccc(c(c1)Cl)F 62a_100012361305_100000211926 [0,2,0,0,0,0|1,0,0]=3 23411 B14R1.232 OCCSCCc1ccc(c(c1)F)F 62a_100000211926_100000690553 [0,2,0,0,0,0|1,0,0]=3 23412 B14R1.232 OCCSCCc1ccc(c(c1)F)F 62a_100000690553_100000211926 [0,2,0,0,0,0|1,0,0]=3 23413 B14R1.232 OCCSCCc1ccc(c(c1)O)O 62a_100000211926_200010393615 [0,2,0,0,0,0|1,0,0]=3 23414 B14R1.232 Oc1cc(ccc1Br)SCCCCF 62a_100000729493_100012356990 [0,2,0,0,0,0|2,0,0]=4 23415 B14R1.232 Oc1cc(ccc1Br)SCCCCF 62a_100012356990_100000729493 [0,2,0,0,0,0|2,0,0]=4 23416 B14R1.232 Oc1cc(ccc1Cl)CNCCCF 34a_100020636435_100011934791 [0,2,0,0,0,0|2,0,0]=4 23417 B14R1.232 Oc1cc(ccc1Cl)NCCCCF 34a_100011934209_100000729493 [0,2,0,0,0,0|2,0,0]=4 23418 B14R1.232 Oc1cc(ccc1Cl)SCCCCF 62a_100000729493_100011356854 [0,2,0,0,0,0|2,0,0]=4 23419 B14R1.232 Oc1cc(ccc1Cl)SCCCCF 62a_100011356854_100000729493 [0,2,0,0,0,0|2,0,0]=4 23420 B14R1.232 Oc1cc(ccc1F)CNCCCF 34a_100160469508_100011934791 [0,2,0,0,0,0|2,0,0]=4 23421 B14R1.232 Oc1cc(ccc1F)NCCCCF 34a_100012017398_100000729493 [0,2,0,0,0,0|2,0,0]=4 23422 B14R1.232 Oc1cc(ccc1F)NCCCCF 7a_100012017398_100000729493 [0,2,0,0,0,0|2,0,0]=4 23423 B14R1.232 Oc1cc(ccc1F)SCCCCF 62a_100000686035_100000729493 [0,2,0,0,0,0|2,0,0]=4 23424 B14R1.232 Oc1cc(ccc1F)SCCCCF 62a_100000729493_100000686035 [0,2,0,0,0,0|2,0,0]=4 23425 B14R1.232 Oc1ccc(cc1Br)NCCCCF 34a_100011534360_100000729493 [0,2,0,0,0,0|2,0,0]=4 23426 B14R1.232 Oc1ccc(cc1Br)SCCCCF 62a_100000729493_100012361655 [0,2,0,0,0,0|2,0,0]=4 23427 B14R1.232 Oc1ccc(cc1Br)SCCCCF 62a_100012361655_100000729493 [0,2,0,0,0,0|2,0,0]=4 23428 B14R1.232 Oc1ccc(cc1Cl)NCCCCF 34a_100000744943_100000729493 [0,2,0,0,0,0|2,0,0]=4 23429 B14R1.232 Oc1ccc(cc1Cl)SCCCCF 62a_100000729493_100012360047 [0,2,0,0,0,0|2,0,0]=4 23430 B14R1.232 Oc1ccc(cc1Cl)SCCCCF 62a_100012360047_100000729493 [0,2,0,0,0,0|2,0,0]=4 23431 B14R1.232 Oc1ccc(cc1F)CNCCCF 34a_100000758358_100011934791 [0,2,0,0,0,0|2,0,0]=4 23432 B14R1.232 Oc1ccc(cc1F)NCCCCF 34a_100011220035_100000729493 [0,2,0,0,0,0|2,0,0]=4 23433 B14R1.232 Oc1ccc(cc1F)NCCCCF 7a_100011220035_100000729493 [0,2,0,0,0,0|2,0,0]=4 23434 B14R1.232 Oc1ccc(cc1F)SCCCCF 62a_100000185481_100000729493 [0,2,0,0,0,0|2,0,0]=4 23435 B14R1.232 Oc1ccc(cc1F)SCCCCF 62a_100000729493_100000185481 [0,2,0,0,0,0|2,0,0]=4 23436 B14R1.232 Oc1ccc(cc1O)CCNCCF 34a_100000210387_100011217306 [0,2,0,0,0,0|2,0,0]=4 23437 B14R1.232 Oc1ccc(cc1O)CCSCCF 62a_100011217306_200010393615 [0,2,0,0,0,0|2,0,0]=4 23438 B14R1.232 Oc1ccc(cc1O)CNCCCF 34a_100000010075_100011934791 [0,2,0,0,0,0|2,0,0]=4 23439 B14R1.232 Oc1ccc(cc1O)NCCCCF 34a_100102946323_100000729493 [0,2,0,0,0,0|2,0,0]=4 23440 B14R1.232 Oc1ccc(cc1O)SCCCCF 62a_100000729493_100009813601 [0,2,0,0,0,0|2,0,0]=4 23441 B14R1.443 BrCCCOCc1cc(cc(c1)Br)Br 34a_100011217188_100011216082 [0,2,0,0,0,0|2,0,0]=4 23442 B14R1.443 BrCCCOCc1cc(cc(c1)I)Br 34a_100011217188_100010146614 [0,2,0,0,0,0|2,0,0]=4 23443 B14R1.443 CCCCCNc1cc(cc(c1)Br)Br 27a_100000209983_100009814770 [0,2,0,0,0,0|2,0,0]=4 23444 B14R1.443 CCCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000718602 [0,2,0,0,0,0|2,0,0]=4 23445 B14R1.443 CCCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000210326 [0,2,0,0,0,0|2,0,0]=4 23446 B14R1.443 CCCCCNc1cc(cc(c1)Br)C 34a_100000695972_100000718602 [0,2,0,0,0,0|2,0,0]=4 23447 B14R1.443 CCCCCNc1cc(cc(c1)Br)C 7a_100000695972_100000210326 [0,2,0,0,0,0|2,0,0]=4 23448 B14R1.443 CCCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000718602 [0,2,0,0,0,0|2,0,0]=4 23449 B14R1.443 CCCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210326 [0,2,0,0,0,0|2,0,0]=4 23450 B14R1.443 CCCCCNc1cc(cc(c1)Br)F 34a_100000705686_100000718602 [0,2,0,0,0,0|2,0,0]=4 23451 B14R1.443 CCCCCNc1cc(cc(c1)Br)F 7a_100000705686_100000210326 [0,2,0,0,0,0|2,0,0]=4 23452 B14R1.443 CCCCCNc1cc(cc(c1)C)C 2230a_100000210930_100000210326 [0,2,0,0,0,0|2,0,0]=4 23453 B14R1.443 CCCCCNc1cc(cc(c1)C)C 34a_100000210930_100000718602 [0,2,0,0,0,0|2,0,0]=4 23454 B14R1.443 CCCCCNc1cc(cc(c1)C)C 7a_100000210930_100000210326 [0,2,0,0,0,0|2,0,0]=4 23455 B14R1.443 CCCCCNc1cc(cc(c1)Cl)C 2230a_100012022512_100000210326 [0,2,0,0,0,0|2,0,0]=4 23456 B14R1.443 CCCCCNc1cc(cc(c1)Cl)C 34a_100012022512_100000718602 [0,2,0,0,0,0|2,0,0]=4 23457 B14R1.443 CCCCCNc1cc(cc(c1)Cl)C 7a_100012022512_100000210326 [0,2,0,0,0,0|2,0,0]=4 23458 B14R1.443 CCCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000718602 [0,2,0,0,0,0|2,0,0]=4 23459 B14R1.443 CCCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210326 [0,2,0,0,0,0|2,0,0]=4 23460 B14R1.443 CCCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000718602 [0,2,0,0,0,0|2,0,0]=4 23461 B14R1.443 CCCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000210326 [0,2,0,0,0,0|2,0,0]=4 23462 B14R1.443 CCCCCNc1cc(cc(c1)Cl)O 34a_100000123917_100000718602 [0,2,0,0,0,0|2,0,0]=4 23463 B14R1.443 CCCCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210326 [0,2,0,0,0,0|2,0,0]=4 23464 B14R1.443 CCCCCNc1cc(cc(c1)F)C 2230a_100000742734_100000210326 [0,2,0,0,0,0|2,0,0]=4 23465 B14R1.443 CCCCCNc1cc(cc(c1)F)C 34a_100000742734_100000718602 [0,2,0,0,0,0|2,0,0]=4 23466 B14R1.443 CCCCCNc1cc(cc(c1)F)C 7a_100000742734_100000210326 [0,2,0,0,0,0|2,0,0]=4 23467 B14R1.443 CCCCCNc1cc(cc(c1)F)F 34a_100000233717_100000718602 [0,2,0,0,0,0|2,0,0]=4 23468 B14R1.443 CCCCCNc1cc(cc(c1)F)F 7a_100000233717_100000210326 [0,2,0,0,0,0|2,0,0]=4 23469 B14R1.443 CCCCCNc1cc(cc(c1)I)Br 7a_100009814763_100000210326 [0,2,0,0,0,0|2,0,0]=4 23470 B14R1.443 CCCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000210326 [0,2,0,0,0,0|2,0,0]=4 23471 B14R1.443 CCCCCNc1cc(cc(c1)I)F 34a_100011356972_100000718602 [0,2,0,0,0,0|2,0,0]=4 23472 B14R1.443 CCCCCNc1cc(cc(c1)I)F 7a_100011356972_100000210326 [0,2,0,0,0,0|2,0,0]=4 23473 B14R1.443 CCCCCNc1cc(cc(c1)I)I 7a_200000696836_100000210326 [0,2,0,0,0,0|2,0,0]=4 23474 B14R1.443 CCCCCNc1cc(cc(c1)O)C 34a_100011995906_100000718602 [0,2,0,0,0,0|2,0,0]=4 23475 B14R1.443 CCCCCNc1cc(cc(c1)O)C 7a_100011995906_100000210326 [0,2,0,0,0,0|2,0,0]=4 23476 B14R1.443 CCCCCNc1cc(cc(c1)O)O 34a_100000043371_100000718602 [0,2,0,0,0,0|2,0,0]=4 23477 B14R1.443 CCCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000718602 [0,2,0,0,0,0|2,0,0]=4 23478 B14R1.443 CCCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210326 [0,2,0,0,0,0|2,0,0]=4 23479 B14R1.443 CCCCCOc1cc(cc(c1)Br)C 34a_100011999630_100000718602 [0,2,0,0,0,0|2,0,0]=4 23480 B14R1.443 CCCCCOc1cc(cc(c1)Br)C 7a_100011999630_100000210326 [0,2,0,0,0,0|2,0,0]=4 23481 B14R1.443 CCCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000718602 [0,2,0,0,0,0|2,0,0]=4 23482 B14R1.443 CCCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210326 [0,2,0,0,0,0|2,0,0]=4 23483 B14R1.443 CCCCCOc1cc(cc(c1)Br)F 34a_100000688818_100000718602 [0,2,0,0,0,0|2,0,0]=4 23484 B14R1.443 CCCCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210326 [0,2,0,0,0,0|2,0,0]=4 23485 B14R1.443 CCCCCOc1cc(cc(c1)C)C 34a_100000210933_100000718602 [0,2,0,0,0,0|2,0,0]=4 23486 B14R1.443 CCCCCOc1cc(cc(c1)C)C 7a_100000210933_100000210326 [0,2,0,0,0,0|2,0,0]=4 23487 B14R1.443 CCCCCOc1cc(cc(c1)Cl)C 34a_100000087485_100000718602 [0,2,0,0,0,0|2,0,0]=4 23488 B14R1.443 CCCCCOc1cc(cc(c1)Cl)C 7a_100000087485_100000210326 [0,2,0,0,0,0|2,0,0]=4 23489 B14R1.443 CCCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000718602 [0,2,0,0,0,0|2,0,0]=4 23490 B14R1.443 CCCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210326 [0,2,0,0,0,0|2,0,0]=4 23491 B14R1.443 CCCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000718602 [0,2,0,0,0,0|2,0,0]=4 23492 B14R1.443 CCCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210326 [0,2,0,0,0,0|2,0,0]=4 23493 B14R1.443 CCCCCOc1cc(cc(c1)Cl)N 34a_100000123917_100000718602 [0,2,0,0,0,0|2,0,0]=4 23494 B14R1.443 CCCCCOc1cc(cc(c1)Cl)N 7a_100000123917_100000210326 [0,2,0,0,0,0|2,0,0]=4 23495 B14R1.443 CCCCCOc1cc(cc(c1)F)C 34a_100011830401_100000718602 [0,2,0,0,0,0|2,0,0]=4 23496 B14R1.443 CCCCCOc1cc(cc(c1)F)C 7a_100011830401_100000210326 [0,2,0,0,0,0|2,0,0]=4 23497 B14R1.443 CCCCCOc1cc(cc(c1)F)F 34a_100000747503_100000718602 [0,2,0,0,0,0|2,0,0]=4 23498 B14R1.443 CCCCCOc1cc(cc(c1)F)F 7a_100000747503_100000210326 [0,2,0,0,0,0|2,0,0]=4 23499 B14R1.443 CCCCCOc1cc(cc(c1)I)Br 34a_100010068917_100000718602 [0,2,0,0,0,0|2,0,0]=4 23500 B14R1.443 CCCCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210326 [0,2,0,0,0,0|2,0,0]=4 23501 B14R1.443 CCCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000718602 [0,2,0,0,0,0|2,0,0]=4 23502 B14R1.443 CCCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210326 [0,2,0,0,0,0|2,0,0]=4 23503 B14R1.443 CCCCCOc1cc(cc(c1)I)F 34a_100000717995_100000718602 [0,2,0,0,0,0|2,0,0]=4 23504 B14R1.443 CCCCCOc1cc(cc(c1)I)F 7a_100000717995_100000210326 [0,2,0,0,0,0|2,0,0]=4 23505 B14R1.443 CCCCCOc1cc(cc(c1)N)C 34a_100011995906_100000718602 [0,2,0,0,0,0|2,0,0]=4 23506 B14R1.443 CCCCCOc1cc(cc(c1)N)C 7a_100011995906_100000210326 [0,2,0,0,0,0|2,0,0]=4 23507 B14R1.443 CCCCCSc1cc(cc(c1)Br)Br 62a_100000210326_100009814770 [0,2,0,0,0,0|2,0,0]=4 23508 B14R1.443 CCCCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210326 [0,2,0,0,0,0|2,0,0]=4 23509 B14R1.443 CCCCCSc1cc(cc(c1)Br)Cl 62a_100000210326_100009814755 [0,2,0,0,0,0|2,0,0]=4 23510 B14R1.443 CCCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210326 [0,2,0,0,0,0|2,0,0]=4 23511 B14R1.443 CCCCCSc1cc(cc(c1)Br)F 62a_100000210326_100009814764 [0,2,0,0,0,0|2,0,0]=4 23512 B14R1.443 CCCCCSc1cc(cc(c1)Br)F 62a_100009814764_100000210326 [0,2,0,0,0,0|2,0,0]=4 23513 B14R1.443 CCCCCSc1cc(cc(c1)Br)N 62a_100000210326_100009814763 [0,2,0,0,0,0|2,0,0]=4 23514 B14R1.443 CCCCCSc1cc(cc(c1)Br)N 62a_100009814763_100000210326 [0,2,0,0,0,0|2,0,0]=4 23515 B14R1.443 CCCCCSc1cc(cc(c1)Br)O 62a_100000210326_100010068917 [0,2,0,0,0,0|2,0,0]=4 23516 B14R1.443 CCCCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210326 [0,2,0,0,0,0|2,0,0]=4 23517 B14R1.443 CCCCCSc1cc(cc(c1)C)C 62a_100000210326_100011215608 [0,2,0,0,0,0|2,0,0]=4 23518 B14R1.443 CCCCCSc1cc(cc(c1)C)C 62a_100011215608_100000210326 [0,2,0,0,0,0|2,0,0]=4 23519 B14R1.443 CCCCCSc1cc(cc(c1)Cl)C 62a_100000210326_100010172791 [0,2,0,0,0,0|2,0,0]=4 23520 B14R1.443 CCCCCSc1cc(cc(c1)Cl)C 62a_100010172791_100000210326 [0,2,0,0,0,0|2,0,0]=4 23521 B14R1.443 CCCCCSc1cc(cc(c1)Cl)Cl 62a_100000210326_100000747138 [0,2,0,0,0,0|2,0,0]=4 23522 B14R1.443 CCCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210326 [0,2,0,0,0,0|2,0,0]=4 23523 B14R1.443 CCCCCSc1cc(cc(c1)Cl)F 62a_100000210326_100013859453 [0,2,0,0,0,0|2,0,0]=4 23524 B14R1.443 CCCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210326 [0,2,0,0,0,0|2,0,0]=4 23525 B14R1.443 CCCCCSc1cc(cc(c1)Cl)N 62a_100000210326_100010147676 [0,2,0,0,0,0|2,0,0]=4 23526 B14R1.443 CCCCCSc1cc(cc(c1)Cl)N 62a_100010147676_100000210326 [0,2,0,0,0,0|2,0,0]=4 23527 B14R1.443 CCCCCSc1cc(cc(c1)Cl)O 62a_100000210326_100010068924 [0,2,0,0,0,0|2,0,0]=4 23528 B14R1.443 CCCCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210326 [0,2,0,0,0,0|2,0,0]=4 23529 B14R1.443 CCCCCSc1cc(cc(c1)F)C 62a_100000210326_100011356977 [0,2,0,0,0,0|2,0,0]=4 23530 B14R1.443 CCCCCSc1cc(cc(c1)F)C 62a_100011356977_100000210326 [0,2,0,0,0,0|2,0,0]=4 23531 B14R1.443 CCCCCSc1cc(cc(c1)F)F 62a_100000210326_100000233788 [0,2,0,0,0,0|2,0,0]=4 23532 B14R1.443 CCCCCSc1cc(cc(c1)F)F 62a_100000233788_100000210326 [0,2,0,0,0,0|2,0,0]=4 23533 B14R1.443 CCCCCSc1cc(cc(c1)F)N 62a_100000210326_100011356972 [0,2,0,0,0,0|2,0,0]=4 23534 B14R1.443 CCCCCSc1cc(cc(c1)F)N 62a_100011356972_100000210326 [0,2,0,0,0,0|2,0,0]=4 23535 B14R1.443 CCCCCSc1cc(cc(c1)F)O 62a_100000210326_100000688818 [0,2,0,0,0,0|2,0,0]=4 23536 B14R1.443 CCCCCSc1cc(cc(c1)F)O 62a_100000688818_100000210326 [0,2,0,0,0,0|2,0,0]=4 23537 B14R1.443 CCCCCSc1cc(cc(c1)N)C 62a_100000210326_100000695972 [0,2,0,0,0,0|2,0,0]=4 23538 B14R1.443 CCCCCSc1cc(cc(c1)N)C 62a_100000695972_100000210326 [0,2,0,0,0,0|2,0,0]=4 23539 B14R1.443 CCCCCSc1cc(cc(c1)N)N 62a_100000210326_100011999608 [0,2,0,0,0,0|2,0,0]=4 23540 B14R1.443 CCCCCSc1cc(cc(c1)N)N 62a_100011999608_100000210326 [0,2,0,0,0,0|2,0,0]=4 23541 B14R1.443 CCCCCSc1cc(cc(c1)O)C 62a_100000210326_100011999630 [0,2,0,0,0,0|2,0,0]=4 23542 B14R1.443 CCCCCSc1cc(cc(c1)O)O 62a_100000210326_100009868816 [0,2,0,0,0,0|2,0,0]=4 23543 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 207a_100000102301_100000719502 [0,2,0,0,0,0|2,0,0]=4 23544 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 2230a_100000102301_100011216082 [0,2,0,0,0,0|2,0,0]=4 23545 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000210211 [0,2,0,0,0,0|2,0,0]=4 23546 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 269862a_100000102301_100000719502 [0,2,0,0,0,0|2,0,0]=4 23547 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 270004a_100000102301_100000719502 [0,2,0,0,0,0|2,0,0]=4 23548 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000210210 [0,2,0,0,0,0|2,0,0]=4 23549 B14R1.443 CCCCNCc1cc(cc(c1)Br)Br 7a_106832991798_100011216082 [0,2,0,0,0,0|2,0,0]=4 23550 B14R1.443 CCCCNCc1cc(cc(c1)Br)C 207a_100000102301_100000686105 [0,2,0,0,0,0|2,0,0]=4 23551 B14R1.443 CCCCNCc1cc(cc(c1)Br)C 2230a_100000102301_100012348363 [0,2,0,0,0,0|2,0,0]=4 23552 B14R1.443 CCCCNCc1cc(cc(c1)Br)C 269862a_100000102301_100000686105 [0,2,0,0,0,0|2,0,0]=4 23553 B14R1.443 CCCCNCc1cc(cc(c1)Br)C 270004a_100000102301_100000686105 [0,2,0,0,0,0|2,0,0]=4 23554 B14R1.443 CCCCNCc1cc(cc(c1)Br)C 7a_106832991798_100012348363 [0,2,0,0,0,0|2,0,0]=4 23555 B14R1.443 CCCCNCc1cc(cc(c1)Br)Cl 207a_100000102301_100011934515 [0,2,0,0,0,0|2,0,0]=4 23556 B14R1.443 CCCCNCc1cc(cc(c1)Br)Cl 269862a_100000102301_100011934515 [0,2,0,0,0,0|2,0,0]=4 23557 B14R1.443 CCCCNCc1cc(cc(c1)Br)Cl 270004a_100000102301_100011934515 [0,2,0,0,0,0|2,0,0]=4 23558 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 207a_100000102301_100011794424 [0,2,0,0,0,0|2,0,0]=4 23559 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 2230a_100000102301_100000766940 [0,2,0,0,0,0|2,0,0]=4 23560 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000210211 [0,2,0,0,0,0|2,0,0]=4 23561 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 269862a_100000102301_100011794424 [0,2,0,0,0,0|2,0,0]=4 23562 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 270004a_100000102301_100011794424 [0,2,0,0,0,0|2,0,0]=4 23563 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 34a_100020611034_100000210210 [0,2,0,0,0,0|2,0,0]=4 23564 B14R1.443 CCCCNCc1cc(cc(c1)Br)F 7a_106832991798_100000766940 [0,2,0,0,0,0|2,0,0]=4 23565 B14R1.443 CCCCNCc1cc(cc(c1)Br)O 207a_100000102301_100010176088 [0,2,0,0,0,0|2,0,0]=4 23566 B14R1.443 CCCCNCc1cc(cc(c1)Br)O 270004a_100000102301_100010176088 [0,2,0,0,0,0|2,0,0]=4 23567 B14R1.443 CCCCNCc1cc(cc(c1)C)C 207a_100000102301_100000745632 [0,2,0,0,0,0|2,0,0]=4 23568 B14R1.443 CCCCNCc1cc(cc(c1)C)C 2230a_100000102301_100000181317 [0,2,0,0,0,0|2,0,0]=4 23569 B14R1.443 CCCCNCc1cc(cc(c1)C)C 2230a_100020591340_100000210211 [0,2,0,0,0,0|2,0,0]=4 23570 B14R1.443 CCCCNCc1cc(cc(c1)C)C 270004a_100000102301_100000745632 [0,2,0,0,0,0|2,0,0]=4 23571 B14R1.443 CCCCNCc1cc(cc(c1)C)C 34a_100020591340_100000210210 [0,2,0,0,0,0|2,0,0]=4 23572 B14R1.443 CCCCNCc1cc(cc(c1)C)C 7a_106832991798_100000181317 [0,2,0,0,0,0|2,0,0]=4 23573 B14R1.443 CCCCNCc1cc(cc(c1)Cl)C 207a_100000102301_100000684525 [0,2,0,0,0,0|2,0,0]=4 23574 B14R1.443 CCCCNCc1cc(cc(c1)Cl)C 270004a_100000102301_100000684525 [0,2,0,0,0,0|2,0,0]=4 23575 B14R1.443 CCCCNCc1cc(cc(c1)Cl)Cl 207a_100000102301_100000741761 [0,2,0,0,0,0|2,0,0]=4 23576 B14R1.443 CCCCNCc1cc(cc(c1)Cl)Cl 2230a_100000102301_100000685807 [0,2,0,0,0,0|2,0,0]=4 23577 B14R1.443 CCCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000210211 [0,2,0,0,0,0|2,0,0]=4 23578 B14R1.443 CCCCNCc1cc(cc(c1)Cl)Cl 270004a_100000102301_100000741761 [0,2,0,0,0,0|2,0,0]=4 23579 B14R1.443 CCCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000210210 [0,2,0,0,0,0|2,0,0]=4 23580 B14R1.443 CCCCNCc1cc(cc(c1)Cl)Cl 7a_106832991798_100011219208 [0,2,0,0,0,0|2,0,0]=4 23581 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 207a_100000102301_100000703917 [0,2,0,0,0,0|2,0,0]=4 23582 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 2230a_100000102301_100011219885 [0,2,0,0,0,0|2,0,0]=4 23583 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000210211 [0,2,0,0,0,0|2,0,0]=4 23584 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 269862a_100000102301_100000703917 [0,2,0,0,0,0|2,0,0]=4 23585 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 270004a_100000102301_100000703917 [0,2,0,0,0,0|2,0,0]=4 23586 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000210210 [0,2,0,0,0,0|2,0,0]=4 23587 B14R1.443 CCCCNCc1cc(cc(c1)Cl)F 7a_106832991798_100011219885 [0,2,0,0,0,0|2,0,0]=4 23588 B14R1.443 CCCCNCc1cc(cc(c1)Cl)O 207a_100000102301_100000050827 [0,2,0,0,0,0|2,0,0]=4 23589 B14R1.443 CCCCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000210211 [0,2,0,0,0,0|2,0,0]=4 23590 B14R1.443 CCCCNCc1cc(cc(c1)Cl)O 270004a_100000102301_100000050827 [0,2,0,0,0,0|2,0,0]=4 23591 B14R1.443 CCCCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000210210 [0,2,0,0,0,0|2,0,0]=4 23592 B14R1.443 CCCCNCc1cc(cc(c1)F)C 207a_100000102301_100011217087 [0,2,0,0,0,0|2,0,0]=4 23593 B14R1.443 CCCCNCc1cc(cc(c1)F)C 2230a_100000102301_100011219130 [0,2,0,0,0,0|2,0,0]=4 23594 B14R1.443 CCCCNCc1cc(cc(c1)F)C 2230a_100011830484_100000210211 [0,2,0,0,0,0|2,0,0]=4 23595 B14R1.443 CCCCNCc1cc(cc(c1)F)C 270004a_100000102301_100011217087 [0,2,0,0,0,0|2,0,0]=4 23596 B14R1.443 CCCCNCc1cc(cc(c1)F)C 34a_100011830484_100000210210 [0,2,0,0,0,0|2,0,0]=4 23597 B14R1.443 CCCCNCc1cc(cc(c1)F)C 7a_106832991798_100011219130 [0,2,0,0,0,0|2,0,0]=4 23598 B14R1.443 CCCCNCc1cc(cc(c1)F)F 207a_100000102301_100000743029 [0,2,0,0,0,0|2,0,0]=4 23599 B14R1.443 CCCCNCc1cc(cc(c1)F)F 2230a_100000102301_100000697002 [0,2,0,0,0,0|2,0,0]=4 23600 B14R1.443 CCCCNCc1cc(cc(c1)F)F 2230a_100000737602_100000210211 [0,2,0,0,0,0|2,0,0]=4 23601 B14R1.443 CCCCNCc1cc(cc(c1)F)F 269862a_100000102301_100000743029 [0,2,0,0,0,0|2,0,0]=4 23602 B14R1.443 CCCCNCc1cc(cc(c1)F)F 270004a_100000102301_100000743029 [0,2,0,0,0,0|2,0,0]=4 23603 B14R1.443 CCCCNCc1cc(cc(c1)F)F 34a_100000737602_100000210210 [0,2,0,0,0,0|2,0,0]=4 23604 B14R1.443 CCCCNCc1cc(cc(c1)F)F 7a_106832991798_100000697002 [0,2,0,0,0,0|2,0,0]=4 23605 B14R1.443 CCCCNCc1cc(cc(c1)F)O 207a_100000102301_100000703664 [0,2,0,0,0,0|2,0,0]=4 23606 B14R1.443 CCCCNCc1cc(cc(c1)F)O 2230a_100160469513_100000210211 [0,2,0,0,0,0|2,0,0]=4 23607 B14R1.443 CCCCNCc1cc(cc(c1)F)O 270004a_100000102301_100000703664 [0,2,0,0,0,0|2,0,0]=4 23608 B14R1.443 CCCCNCc1cc(cc(c1)F)O 34a_100160469513_100000210210 [0,2,0,0,0,0|2,0,0]=4 23609 B14R1.443 CCCCNCc1cc(cc(c1)I)Br 207a_100000102301_100010185649 [0,2,0,0,0,0|2,0,0]=4 23610 B14R1.443 CCCCNCc1cc(cc(c1)I)Br 2230a_100000102301_100010146614 [0,2,0,0,0,0|2,0,0]=4 23611 B14R1.443 CCCCNCc1cc(cc(c1)I)Br 269862a_100000102301_100010185649 [0,2,0,0,0,0|2,0,0]=4 23612 B14R1.443 CCCCNCc1cc(cc(c1)I)Br 270004a_100000102301_100010185649 [0,2,0,0,0,0|2,0,0]=4 23613 B14R1.443 CCCCNCc1cc(cc(c1)I)Br 7a_106832991798_100010146614 [0,2,0,0,0,0|2,0,0]=4 23614 B14R1.443 CCCCNCc1cc(cc(c1)I)F 207a_100000102301_100010185655 [0,2,0,0,0,0|2,0,0]=4 23615 B14R1.443 CCCCNCc1cc(cc(c1)I)F 2230a_100000102301_100010149605 [0,2,0,0,0,0|2,0,0]=4 23616 B14R1.443 CCCCNCc1cc(cc(c1)I)F 269862a_100000102301_100010185655 [0,2,0,0,0,0|2,0,0]=4 23617 B14R1.443 CCCCNCc1cc(cc(c1)I)F 270004a_100000102301_100010185655 [0,2,0,0,0,0|2,0,0]=4 23618 B14R1.443 CCCCNCc1cc(cc(c1)I)F 7a_106832991798_100010149605 [0,2,0,0,0,0|2,0,0]=4 23619 B14R1.443 CCCCNCc1cc(cc(c1)I)I 207a_100000102301_100010185653 [0,2,0,0,0,0|2,0,0]=4 23620 B14R1.443 CCCCNCc1cc(cc(c1)I)I 269862a_100000102301_100010185653 [0,2,0,0,0,0|2,0,0]=4 23621 B14R1.443 CCCCNCc1cc(cc(c1)O)C 207a_100000102301_100009853434 [0,2,0,0,0,0|2,0,0]=4 23622 B14R1.443 CCCCNCc1cc(cc(c1)O)C 270004a_100000102301_100009853434 [0,2,0,0,0,0|2,0,0]=4 23623 B14R1.443 CCCCNCc1cc(cc(c1)O)O 207a_100000102301_100000043415 [0,2,0,0,0,0|2,0,0]=4 23624 B14R1.443 CCCCNCc1cc(cc(c1)O)O 2230a_100159270720_100000210211 [0,2,0,0,0,0|2,0,0]=4 23625 B14R1.443 CCCCNCc1cc(cc(c1)O)O 34a_100159270720_100000210210 [0,2,0,0,0,0|2,0,0]=4 23626 B14R1.443 CCCCOCc1cc(cc(c1)Br)Br 34a_100000210227_100011216082 [0,2,0,0,0,0|2,0,0]=4 23627 B14R1.443 CCCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100000210210 [0,2,0,0,0,0|2,0,0]=4 23628 B14R1.443 CCCCOCc1cc(cc(c1)Br)Br 7a_100000210227_100011216082 [0,2,0,0,0,0|2,0,0]=4 23629 B14R1.443 CCCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100000210211 [0,2,0,0,0,0|2,0,0]=4 23630 B14R1.443 CCCCOCc1cc(cc(c1)Br)C 34a_100000210227_100012348363 [0,2,0,0,0,0|2,0,0]=4 23631 B14R1.443 CCCCOCc1cc(cc(c1)Br)C 34a_100000720511_100000210210 [0,2,0,0,0,0|2,0,0]=4 23632 B14R1.443 CCCCOCc1cc(cc(c1)Br)C 7a_100000210227_100012348363 [0,2,0,0,0,0|2,0,0]=4 23633 B14R1.443 CCCCOCc1cc(cc(c1)Br)C 7a_100000720511_100000210211 [0,2,0,0,0,0|2,0,0]=4 23634 B14R1.443 CCCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100000210210 [0,2,0,0,0,0|2,0,0]=4 23635 B14R1.443 CCCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100000210211 [0,2,0,0,0,0|2,0,0]=4 23636 B14R1.443 CCCCOCc1cc(cc(c1)Br)F 34a_100000210227_100000766940 [0,2,0,0,0,0|2,0,0]=4 23637 B14R1.443 CCCCOCc1cc(cc(c1)Br)F 34a_100000766897_100000210210 [0,2,0,0,0,0|2,0,0]=4 23638 B14R1.443 CCCCOCc1cc(cc(c1)Br)F 7a_100000210227_100000766940 [0,2,0,0,0,0|2,0,0]=4 23639 B14R1.443 CCCCOCc1cc(cc(c1)Br)F 7a_100000766897_100000210211 [0,2,0,0,0,0|2,0,0]=4 23640 B14R1.443 CCCCOCc1cc(cc(c1)C)C 34a_100000210227_100000181317 [0,2,0,0,0,0|2,0,0]=4 23641 B14R1.443 CCCCOCc1cc(cc(c1)C)C 34a_100011216556_100000210210 [0,2,0,0,0,0|2,0,0]=4 23642 B14R1.443 CCCCOCc1cc(cc(c1)C)C 7a_100000210227_100000181317 [0,2,0,0,0,0|2,0,0]=4 23643 B14R1.443 CCCCOCc1cc(cc(c1)C)C 7a_100011216556_100000210211 [0,2,0,0,0,0|2,0,0]=4 23644 B14R1.443 CCCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000210210 [0,2,0,0,0,0|2,0,0]=4 23645 B14R1.443 CCCCOCc1cc(cc(c1)Cl)Cl 7a_100000210227_100011219208 [0,2,0,0,0,0|2,0,0]=4 23646 B14R1.443 CCCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100000210211 [0,2,0,0,0,0|2,0,0]=4 23647 B14R1.443 CCCCOCc1cc(cc(c1)Cl)F 34a_100000210227_100011219885 [0,2,0,0,0,0|2,0,0]=4 23648 B14R1.443 CCCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100000210210 [0,2,0,0,0,0|2,0,0]=4 23649 B14R1.443 CCCCOCc1cc(cc(c1)Cl)F 7a_100000210227_100011219885 [0,2,0,0,0,0|2,0,0]=4 23650 B14R1.443 CCCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100000210211 [0,2,0,0,0,0|2,0,0]=4 23651 B14R1.443 CCCCOCc1cc(cc(c1)Cl)N 34a_100012002482_100000210210 [0,2,0,0,0,0|2,0,0]=4 23652 B14R1.443 CCCCOCc1cc(cc(c1)Cl)N 7a_100012002482_100000210211 [0,2,0,0,0,0|2,0,0]=4 23653 B14R1.443 CCCCOCc1cc(cc(c1)F)C 34a_100000210227_100011219130 [0,2,0,0,0,0|2,0,0]=4 23654 B14R1.443 CCCCOCc1cc(cc(c1)F)C 34a_100011217934_100000210210 [0,2,0,0,0,0|2,0,0]=4 23655 B14R1.443 CCCCOCc1cc(cc(c1)F)C 7a_100000210227_100011219130 [0,2,0,0,0,0|2,0,0]=4 23656 B14R1.443 CCCCOCc1cc(cc(c1)F)C 7a_100011217934_100000210211 [0,2,0,0,0,0|2,0,0]=4 23657 B14R1.443 CCCCOCc1cc(cc(c1)F)F 34a_100000210227_100000697002 [0,2,0,0,0,0|2,0,0]=4 23658 B14R1.443 CCCCOCc1cc(cc(c1)F)F 34a_100011215443_100000210210 [0,2,0,0,0,0|2,0,0]=4 23659 B14R1.443 CCCCOCc1cc(cc(c1)F)F 7a_100000210227_100000697002 [0,2,0,0,0,0|2,0,0]=4 23660 B14R1.443 CCCCOCc1cc(cc(c1)F)F 7a_100011215443_100000210211 [0,2,0,0,0,0|2,0,0]=4 23661 B14R1.443 CCCCOCc1cc(cc(c1)I)Br 34a_100000210227_100010146614 [0,2,0,0,0,0|2,0,0]=4 23662 B14R1.443 CCCCOCc1cc(cc(c1)I)Br 7a_100000210227_100010146614 [0,2,0,0,0,0|2,0,0]=4 23663 B14R1.443 CCCCOCc1cc(cc(c1)I)Br 7a_100009814756_100000210211 [0,2,0,0,0,0|2,0,0]=4 23664 B14R1.443 CCCCOCc1cc(cc(c1)I)F 34a_100000210227_100010149605 [0,2,0,0,0,0|2,0,0]=4 23665 B14R1.443 CCCCOCc1cc(cc(c1)I)F 34a_100010149598_100000210210 [0,2,0,0,0,0|2,0,0]=4 23666 B14R1.443 CCCCOCc1cc(cc(c1)I)F 7a_100000210227_100010149605 [0,2,0,0,0,0|2,0,0]=4 23667 B14R1.443 CCCCOCc1cc(cc(c1)I)F 7a_100010149598_100000210211 [0,2,0,0,0,0|2,0,0]=4 23668 B14R1.443 CCCCOCc1cc(cc(c1)I)I 7a_100010205817_100000210211 [0,2,0,0,0,0|2,0,0]=4 23669 B14R1.443 CCCCOCc1cc(cc(c1)N)N 34a_100000032468_100000210210 [0,2,0,0,0,0|2,0,0]=4 23670 B14R1.443 CCCCSCc1cc(cc(c1)Br)Br 62a_100000210211_100011216082 [0,2,0,0,0,0|2,0,0]=4 23671 B14R1.443 CCCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100000210210 [0,2,0,0,0,0|2,0,0]=4 23672 B14R1.443 CCCCSCc1cc(cc(c1)Br)C 62a_100000210211_100012348363 [0,2,0,0,0,0|2,0,0]=4 23673 B14R1.443 CCCCSCc1cc(cc(c1)Br)C 62a_100012348363_100000210210 [0,2,0,0,0,0|2,0,0]=4 23674 B14R1.443 CCCCSCc1cc(cc(c1)Br)F 62a_100000210211_100000766940 [0,2,0,0,0,0|2,0,0]=4 23675 B14R1.443 CCCCSCc1cc(cc(c1)Br)F 62a_100000766940_100000210210 [0,2,0,0,0,0|2,0,0]=4 23676 B14R1.443 CCCCSCc1cc(cc(c1)C)C 62a_100000181317_100000210210 [0,2,0,0,0,0|2,0,0]=4 23677 B14R1.443 CCCCSCc1cc(cc(c1)C)C 62a_100000210211_100000181317 [0,2,0,0,0,0|2,0,0]=4 23678 B14R1.443 CCCCSCc1cc(cc(c1)Cl)Cl 62a_100000210211_100011219208 [0,2,0,0,0,0|2,0,0]=4 23679 B14R1.443 CCCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100000210210 [0,2,0,0,0,0|2,0,0]=4 23680 B14R1.443 CCCCSCc1cc(cc(c1)Cl)F 62a_100000210211_100011219885 [0,2,0,0,0,0|2,0,0]=4 23681 B14R1.443 CCCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100000210210 [0,2,0,0,0,0|2,0,0]=4 23682 B14R1.443 CCCCSCc1cc(cc(c1)F)C 62a_100000210211_100011219130 [0,2,0,0,0,0|2,0,0]=4 23683 B14R1.443 CCCCSCc1cc(cc(c1)F)C 62a_100011219130_100000210210 [0,2,0,0,0,0|2,0,0]=4 23684 B14R1.443 CCCCSCc1cc(cc(c1)F)F 62a_100000210211_100000697002 [0,2,0,0,0,0|2,0,0]=4 23685 B14R1.443 CCCCSCc1cc(cc(c1)F)F 62a_100000697002_100000210210 [0,2,0,0,0,0|2,0,0]=4 23686 B14R1.443 CCCCSCc1cc(cc(c1)I)Br 62a_100000210211_100010146614 [0,2,0,0,0,0|2,0,0]=4 23687 B14R1.443 CCCCSCc1cc(cc(c1)I)Br 62a_100010146614_100000210210 [0,2,0,0,0,0|2,0,0]=4 23688 B14R1.443 CCCCSCc1cc(cc(c1)I)F 62a_100000210211_100010149605 [0,2,0,0,0,0|2,0,0]=4 23689 B14R1.443 CCCCSCc1cc(cc(c1)I)F 62a_100010149605_100000210210 [0,2,0,0,0,0|2,0,0]=4 23690 B14R1.443 CCCNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000210303 [0,2,0,0,0,0|2,0,0]=4 23691 B14R1.443 CCCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000210303 [0,2,0,0,0,0|2,0,0]=4 23692 B14R1.443 CCCNCCc1cc(cc(c1)F)F 2230a_100000748410_100000210303 [0,2,0,0,0,0|2,0,0]=4 23693 B14R1.443 CCCNCCc1cc(cc(c1)F)F 34a_100000748410_100000210303 [0,2,0,0,0,0|2,0,0]=4 23694 B14R1.443 CCCOCCc1cc(cc(c1)Br)Br 34a_100010243668_100000210303 [0,2,0,0,0,0|2,0,0]=4 23695 B14R1.443 CCCOCCc1cc(cc(c1)Br)Br 7a_100010243668_100000210303 [0,2,0,0,0,0|2,0,0]=4 23696 B14R1.443 CCCOCCc1cc(cc(c1)Br)F 34a_100012630564_100000210303 [0,2,0,0,0,0|2,0,0]=4 23697 B14R1.443 CCCOCCc1cc(cc(c1)Br)F 7a_100012630564_100000210303 [0,2,0,0,0,0|2,0,0]=4 23698 B14R1.443 CCCOCCc1cc(cc(c1)Cl)Cl 34a_100000210258_100000691793 [0,2,0,0,0,0|2,0,0]=4 23699 B14R1.443 CCCOCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100000210303 [0,2,0,0,0,0|2,0,0]=4 23700 B14R1.443 CCCOCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100000210303 [0,2,0,0,0,0|2,0,0]=4 23701 B14R1.443 CCCOCCc1cc(cc(c1)F)F 34a_100000210258_100011754442 [0,2,0,0,0,0|2,0,0]=4 23702 B14R1.443 CCCOCCc1cc(cc(c1)F)F 34a_100011754358_100000210303 [0,2,0,0,0,0|2,0,0]=4 23703 B14R1.443 CCCOCCc1cc(cc(c1)F)F 7a_100011754358_100000210303 [0,2,0,0,0,0|2,0,0]=4 23704 B14R1.443 CCCSCCc1cc(cc(c1)Cl)Cl 62a_100000210303_100000691793 [0,2,0,0,0,0|2,0,0]=4 23705 B14R1.443 CCCSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100000210303 [0,2,0,0,0,0|2,0,0]=4 23706 B14R1.443 CCCSCCc1cc(cc(c1)F)F 62a_100000210303_100011754442 [0,2,0,0,0,0|2,0,0]=4 23707 B14R1.443 CCCSCCc1cc(cc(c1)F)F 62a_100011754442_100000210303 [0,2,0,0,0,0|2,0,0]=4 23708 B14R1.443 CCOCCCc1cc(cc(c1)F)F 34a_100011999496_100000210202 [0,2,0,0,0,0|2,0,0]=4 23709 B14R1.443 CCOCCCc1cc(cc(c1)F)F 7a_100011999496_100000210202 [0,2,0,0,0,0|2,0,0]=4 23710 B14R1.443 Cc1cc(=O)cc(o1)OCCCCO 34a_100016989201_100011216708 [0,2,0,0,0,0|2,0,0]=4 23711 B14R1.443 Cc1cc(cc(=O)[nH]1)NCCCCO 27a_100000750430_100009861981 [0,2,0,0,0,0|2,0,0]=4 23712 B14R1.443 Cc1cc(cc(=O)[nH]1)OCCCCO 34a_100000039070_100011216708 [0,2,0,0,0,0|2,0,0]=4 23713 B14R1.443 Cc1cc(cc(=O)[nH]1)SCCCCO 62a_100000210776_100009861981 [0,2,0,0,0,0|2,0,0]=4 23714 B14R1.443 Cc1cc(cc(=O)[nH]1)SCCCCO 62a_100009861981_100000210776 [0,2,0,0,0,0|2,0,0]=4 23715 B14R1.443 Cc1cc(cc(=O)o1)OCCCCO 34a_100000210952_100011216708 [0,2,0,0,0,0|2,0,0]=4 23716 B14R1.443 Cc1cc(cc(=O)o1)OCCCCO 7a_100000210952_100000210776 [0,2,0,0,0,0|2,0,0]=4 23717 B14R1.443 Cc1cc(cc(c1)CNCCCF)Br 207a_100015189416_100000686105 [0,2,0,0,0,0|2,0,0]=4 23718 B14R1.443 Cc1cc(cc(c1)CNCCCF)Br 2230a_100015189416_100012348363 [0,2,0,0,0,0|2,0,0]=4 23719 B14R1.443 Cc1cc(cc(c1)CNCCCF)Br 269862a_100015189416_100000686105 [0,2,0,0,0,0|2,0,0]=4 23720 B14R1.443 Cc1cc(cc(c1)CNCCCF)Br 270004a_100015189416_100000686105 [0,2,0,0,0,0|2,0,0]=4 23721 B14R1.443 Cc1cc(cc(c1)CNCCCF)Br 34a_100015189416_100012348363 [0,2,0,0,0,0|2,0,0]=4 23722 B14R1.443 Cc1cc(cc(c1)CNCCCF)C 207a_100015189416_100000745632 [0,2,0,0,0,0|2,0,0]=4 23723 B14R1.443 Cc1cc(cc(c1)CNCCCF)C 2230a_100015189416_100000181317 [0,2,0,0,0,0|2,0,0]=4 23724 B14R1.443 Cc1cc(cc(c1)CNCCCF)C 2230a_100020591340_100011934791 [0,2,0,0,0,0|2,0,0]=4 23725 B14R1.443 Cc1cc(cc(c1)CNCCCF)C 270004a_100015189416_100000745632 [0,2,0,0,0,0|2,0,0]=4 23726 B14R1.443 Cc1cc(cc(c1)CNCCCF)C 34a_100015189416_100000181317 [0,2,0,0,0,0|2,0,0]=4 23727 B14R1.443 Cc1cc(cc(c1)CNCCCF)C 34a_100020591340_100011934791 [0,2,0,0,0,0|2,0,0]=4 23728 B14R1.443 Cc1cc(cc(c1)CNCCCF)Cl 207a_100015189416_100000684525 [0,2,0,0,0,0|2,0,0]=4 23729 B14R1.443 Cc1cc(cc(c1)CNCCCF)Cl 270004a_100015189416_100000684525 [0,2,0,0,0,0|2,0,0]=4 23730 B14R1.443 Cc1cc(cc(c1)CNCCCF)F 207a_100015189416_100011217087 [0,2,0,0,0,0|2,0,0]=4 23731 B14R1.443 Cc1cc(cc(c1)CNCCCF)F 2230a_100011830484_100011934791 [0,2,0,0,0,0|2,0,0]=4 23732 B14R1.443 Cc1cc(cc(c1)CNCCCF)F 2230a_100015189416_100011219130 [0,2,0,0,0,0|2,0,0]=4 23733 B14R1.443 Cc1cc(cc(c1)CNCCCF)F 270004a_100015189416_100011217087 [0,2,0,0,0,0|2,0,0]=4 23734 B14R1.443 Cc1cc(cc(c1)CNCCCF)F 34a_100011830484_100011934791 [0,2,0,0,0,0|2,0,0]=4 23735 B14R1.443 Cc1cc(cc(c1)CNCCCF)F 34a_100015189416_100011219130 [0,2,0,0,0,0|2,0,0]=4 23736 B14R1.443 Cc1cc(cc(c1)CNCCCF)O 207a_100015189416_100009853434 [0,2,0,0,0,0|2,0,0]=4 23737 B14R1.443 Cc1cc(cc(c1)CNCCCF)O 270004a_100015189416_100009853434 [0,2,0,0,0,0|2,0,0]=4 23738 B14R1.443 Cc1cc(cc(c1)CNCCCO)Br 207a_100000182051_100000686105 [0,2,0,0,0,0|1,0,0]=3 23739 B14R1.443 Cc1cc(cc(c1)CNCCCO)Br 269862a_100000182051_100000686105 [0,2,0,0,0,0|1,0,0]=3 23740 B14R1.443 Cc1cc(cc(c1)CNCCCO)Br 270004a_100000182051_100000686105 [0,2,0,0,0,0|1,0,0]=3 23741 B14R1.443 Cc1cc(cc(c1)CNCCCO)C 207a_100000182051_100000745632 [0,2,0,0,0,0|1,0,0]=3 23742 B14R1.443 Cc1cc(cc(c1)CNCCCO)C 2230a_100020591340_100000230001 [0,2,0,0,0,0|1,0,0]=3 23743 B14R1.443 Cc1cc(cc(c1)CNCCCO)C 270004a_100000182051_100000745632 [0,2,0,0,0,0|1,0,0]=3 23744 B14R1.443 Cc1cc(cc(c1)CNCCCO)C 34a_100020591340_100000230001 [0,2,0,0,0,0|1,0,0]=3 23745 B14R1.443 Cc1cc(cc(c1)CNCCCO)Cl 207a_100000182051_100000684525 [0,2,0,0,0,0|1,0,0]=3 23746 B14R1.443 Cc1cc(cc(c1)CNCCCO)Cl 270004a_100000182051_100000684525 [0,2,0,0,0,0|1,0,0]=3 23747 B14R1.443 Cc1cc(cc(c1)CNCCCO)F 207a_100000182051_100011217087 [0,2,0,0,0,0|1,0,0]=3 23748 B14R1.443 Cc1cc(cc(c1)CNCCCO)F 2230a_100011830484_100000230001 [0,2,0,0,0,0|1,0,0]=3 23749 B14R1.443 Cc1cc(cc(c1)CNCCCO)F 270004a_100000182051_100011217087 [0,2,0,0,0,0|1,0,0]=3 23750 B14R1.443 Cc1cc(cc(c1)CNCCCO)F 34a_100011830484_100000230001 [0,2,0,0,0,0|1,0,0]=3 23751 B14R1.443 Cc1cc(cc(c1)CNCCCO)O 207a_100000182051_100009853434 [0,2,0,0,0,0|1,0,0]=3 23752 B14R1.443 Cc1cc(cc(c1)CNCCCO)O 270004a_100000182051_100009853434 [0,2,0,0,0,0|1,0,0]=3 23753 B14R1.443 Cc1cc(cc(c1)COCCCBr)Br 34a_100011217188_100012348363 [0,2,0,0,0,0|2,0,0]=4 23754 B14R1.443 Cc1cc(cc(c1)COCCCBr)C 34a_100011217188_100000181317 [0,2,0,0,0,0|2,0,0]=4 23755 B14R1.443 Cc1cc(cc(c1)COCCCBr)F 34a_100011217188_100011219130 [0,2,0,0,0,0|2,0,0]=4 23756 B14R1.443 Cc1cc(cc(c1)COCCCCl)Br 34a_100000230001_100012348363 [0,2,0,0,0,0|2,0,0]=4 23757 B14R1.443 Cc1cc(cc(c1)COCCCCl)C 34a_100000230001_100000181317 [0,2,0,0,0,0|2,0,0]=4 23758 B14R1.443 Cc1cc(cc(c1)COCCCCl)F 34a_100000230001_100011219130 [0,2,0,0,0,0|2,0,0]=4 23759 B14R1.443 Cc1cc(cc(c1)COCCCF)Br 34a_100000720511_100011934791 [0,2,0,0,0,0|2,0,0]=4 23760 B14R1.443 Cc1cc(cc(c1)COCCCF)Br 34a_100000759539_100012348363 [0,2,0,0,0,0|2,0,0]=4 23761 B14R1.443 Cc1cc(cc(c1)COCCCF)Br 7a_100000720511_100011934791 [0,2,0,0,0,0|2,0,0]=4 23762 B14R1.443 Cc1cc(cc(c1)COCCCF)C 34a_100000759539_100000181317 [0,2,0,0,0,0|2,0,0]=4 23763 B14R1.443 Cc1cc(cc(c1)COCCCF)C 34a_100011216556_100011934791 [0,2,0,0,0,0|2,0,0]=4 23764 B14R1.443 Cc1cc(cc(c1)COCCCF)C 7a_100011216556_100011934791 [0,2,0,0,0,0|2,0,0]=4 23765 B14R1.443 Cc1cc(cc(c1)COCCCF)F 34a_100000759539_100011219130 [0,2,0,0,0,0|2,0,0]=4 23766 B14R1.443 Cc1cc(cc(c1)COCCCF)F 34a_100011217934_100011934791 [0,2,0,0,0,0|2,0,0]=4 23767 B14R1.443 Cc1cc(cc(c1)COCCCF)F 7a_100011217934_100011934791 [0,2,0,0,0,0|2,0,0]=4 23768 B14R1.443 Cc1cc(cc(c1)COCCCN)Br 34a_100000182051_100012348363 [0,2,0,0,0,0|2,0,0]=4 23769 B14R1.443 Cc1cc(cc(c1)COCCCN)C 34a_100000182051_100000181317 [0,2,0,0,0,0|2,0,0]=4 23770 B14R1.443 Cc1cc(cc(c1)COCCCN)F 34a_100000182051_100011219130 [0,2,0,0,0,0|2,0,0]=4 23771 B14R1.443 Cc1cc(cc(c1)COCCCO)Br 34a_100000720511_100000230001 [0,2,0,0,0,0|1,0,0]=3 23772 B14R1.443 Cc1cc(cc(c1)COCCCO)Br 7a_100000720511_100011215043 [0,2,0,0,0,0|1,0,0]=3 23773 B14R1.443 Cc1cc(cc(c1)COCCCO)C 34a_100011216556_100000230001 [0,2,0,0,0,0|1,0,0]=3 23774 B14R1.443 Cc1cc(cc(c1)COCCCO)C 7a_100011216556_100011215043 [0,2,0,0,0,0|1,0,0]=3 23775 B14R1.443 Cc1cc(cc(c1)COCCCO)F 34a_100011217934_100000230001 [0,2,0,0,0,0|1,0,0]=3 23776 B14R1.443 Cc1cc(cc(c1)COCCCO)F 7a_100011217934_100011215043 [0,2,0,0,0,0|1,0,0]=3 23777 B14R1.443 Cc1cc(cc(c1)CSCCCF)Br 62a_100011934791_100012348363 [0,2,0,0,0,0|2,0,0]=4 23778 B14R1.443 Cc1cc(cc(c1)CSCCCF)Br 62a_100012348363_100011934791 [0,2,0,0,0,0|2,0,0]=4 23779 B14R1.443 Cc1cc(cc(c1)CSCCCF)C 62a_100000181317_100011934791 [0,2,0,0,0,0|2,0,0]=4 23780 B14R1.443 Cc1cc(cc(c1)CSCCCF)C 62a_100011934791_100000181317 [0,2,0,0,0,0|2,0,0]=4 23781 B14R1.443 Cc1cc(cc(c1)CSCCCF)F 62a_100011219130_100011934791 [0,2,0,0,0,0|2,0,0]=4 23782 B14R1.443 Cc1cc(cc(c1)CSCCCF)F 62a_100011934791_100011219130 [0,2,0,0,0,0|2,0,0]=4 23783 B14R1.443 Cc1cc(cc(c1)CSCCCO)Br 62a_100011215043_100012348363 [0,2,0,0,0,0|1,0,0]=3 23784 B14R1.443 Cc1cc(cc(c1)CSCCCO)Br 62a_100012348363_100011215043 [0,2,0,0,0,0|1,0,0]=3 23785 B14R1.443 Cc1cc(cc(c1)CSCCCO)C 62a_100000181317_100011215043 [0,2,0,0,0,0|1,0,0]=3 23786 B14R1.443 Cc1cc(cc(c1)CSCCCO)C 62a_100011215043_100000181317 [0,2,0,0,0,0|1,0,0]=3 23787 B14R1.443 Cc1cc(cc(c1)CSCCCO)F 62a_100011215043_100011219130 [0,2,0,0,0,0|1,0,0]=3 23788 B14R1.443 Cc1cc(cc(c1)CSCCCO)F 62a_100011219130_100011215043 [0,2,0,0,0,0|1,0,0]=3 23789 B14R1.443 Cc1cc(cc(c1)NCCCCF)Br 34a_100000695972_100000729493 [0,2,0,0,0,0|2,0,0]=4 23790 B14R1.443 Cc1cc(cc(c1)NCCCCF)Br 7a_100000695972_100000729493 [0,2,0,0,0,0|2,0,0]=4 23791 B14R1.443 Cc1cc(cc(c1)NCCCCF)C 2230a_100000210930_100000729493 [0,2,0,0,0,0|2,0,0]=4 23792 B14R1.443 Cc1cc(cc(c1)NCCCCF)C 34a_100000210930_100000729493 [0,2,0,0,0,0|2,0,0]=4 23793 B14R1.443 Cc1cc(cc(c1)NCCCCF)C 7a_100000210930_100000729493 [0,2,0,0,0,0|2,0,0]=4 23794 B14R1.443 Cc1cc(cc(c1)NCCCCF)Cl 2230a_100012022512_100000729493 [0,2,0,0,0,0|2,0,0]=4 23795 B14R1.443 Cc1cc(cc(c1)NCCCCF)Cl 34a_100012022512_100000729493 [0,2,0,0,0,0|2,0,0]=4 23796 B14R1.443 Cc1cc(cc(c1)NCCCCF)Cl 7a_100012022512_100000729493 [0,2,0,0,0,0|2,0,0]=4 23797 B14R1.443 Cc1cc(cc(c1)NCCCCF)F 2230a_100000742734_100000729493 [0,2,0,0,0,0|2,0,0]=4 23798 B14R1.443 Cc1cc(cc(c1)NCCCCF)F 34a_100000742734_100000729493 [0,2,0,0,0,0|2,0,0]=4 23799 B14R1.443 Cc1cc(cc(c1)NCCCCF)F 7a_100000742734_100000729493 [0,2,0,0,0,0|2,0,0]=4 23800 B14R1.443 Cc1cc(cc(c1)NCCCCF)O 34a_100011995906_100000729493 [0,2,0,0,0,0|2,0,0]=4 23801 B14R1.443 Cc1cc(cc(c1)NCCCCF)O 7a_100011995906_100000729493 [0,2,0,0,0,0|2,0,0]=4 23802 B14R1.443 Cc1cc(cc(c1)NCCCCO)Br 34a_100000695972_100011216708 [0,2,0,0,0,0|1,0,0]=3 23803 B14R1.443 Cc1cc(cc(c1)NCCCCO)Br 7a_100000695972_100000210776 [0,2,0,0,0,0|1,0,0]=3 23804 B14R1.443 Cc1cc(cc(c1)NCCCCO)C 2230a_100000210930_100000210776 [0,2,0,0,0,0|1,0,0]=3 23805 B14R1.443 Cc1cc(cc(c1)NCCCCO)C 34a_100000210930_100011216708 [0,2,0,0,0,0|1,0,0]=3 23806 B14R1.443 Cc1cc(cc(c1)NCCCCO)C 7a_100000210930_100000210776 [0,2,0,0,0,0|1,0,0]=3 23807 B14R1.443 Cc1cc(cc(c1)NCCCCO)Cl 2230a_100012022512_100000210776 [0,2,0,0,0,0|1,0,0]=3 23808 B14R1.443 Cc1cc(cc(c1)NCCCCO)Cl 34a_100012022512_100011216708 [0,2,0,0,0,0|1,0,0]=3 23809 B14R1.443 Cc1cc(cc(c1)NCCCCO)Cl 7a_100012022512_100000210776 [0,2,0,0,0,0|1,0,0]=3 23810 B14R1.443 Cc1cc(cc(c1)NCCCCO)F 2230a_100000742734_100000210776 [0,2,0,0,0,0|1,0,0]=3 23811 B14R1.443 Cc1cc(cc(c1)NCCCCO)F 34a_100000742734_100011216708 [0,2,0,0,0,0|1,0,0]=3 23812 B14R1.443 Cc1cc(cc(c1)NCCCCO)F 7a_100000742734_100000210776 [0,2,0,0,0,0|1,0,0]=3 23813 B14R1.443 Cc1cc(cc(c1)NCCCCO)O 34a_100011995906_100011216708 [0,2,0,0,0,0|1,0,0]=3 23814 B14R1.443 Cc1cc(cc(c1)NCCCCO)O 7a_100011995906_100000210776 [0,2,0,0,0,0|1,0,0]=3 23815 B14R1.443 Cc1cc(cc(c1)OCCCCF)Br 34a_100011999630_100000729493 [0,2,0,0,0,0|2,0,0]=4 23816 B14R1.443 Cc1cc(cc(c1)OCCCCF)Br 7a_100011999630_100000729493 [0,2,0,0,0,0|2,0,0]=4 23817 B14R1.443 Cc1cc(cc(c1)OCCCCF)C 34a_100000210933_100000729493 [0,2,0,0,0,0|2,0,0]=4 23818 B14R1.443 Cc1cc(cc(c1)OCCCCF)C 7a_100000210933_100000729493 [0,2,0,0,0,0|2,0,0]=4 23819 B14R1.443 Cc1cc(cc(c1)OCCCCF)Cl 34a_100000087485_100000729493 [0,2,0,0,0,0|2,0,0]=4 23820 B14R1.443 Cc1cc(cc(c1)OCCCCF)Cl 7a_100000087485_100000729493 [0,2,0,0,0,0|2,0,0]=4 23821 B14R1.443 Cc1cc(cc(c1)OCCCCF)F 34a_100011830401_100000729493 [0,2,0,0,0,0|2,0,0]=4 23822 B14R1.443 Cc1cc(cc(c1)OCCCCF)F 7a_100011830401_100000729493 [0,2,0,0,0,0|2,0,0]=4 23823 B14R1.443 Cc1cc(cc(c1)OCCCCF)N 34a_100011995906_100000729493 [0,2,0,0,0,0|2,0,0]=4 23824 B14R1.443 Cc1cc(cc(c1)OCCCCF)N 7a_100011995906_100000729493 [0,2,0,0,0,0|2,0,0]=4 23825 B14R1.443 Cc1cc(cc(c1)OCCCCO)Br 34a_100011999630_100011216708 [0,2,0,0,0,0|1,0,0]=3 23826 B14R1.443 Cc1cc(cc(c1)OCCCCO)Br 7a_100011999630_100000210776 [0,2,0,0,0,0|1,0,0]=3 23827 B14R1.443 Cc1cc(cc(c1)OCCCCO)C 34a_100000210933_100011216708 [0,2,0,0,0,0|1,0,0]=3 23828 B14R1.443 Cc1cc(cc(c1)OCCCCO)C 7a_100000210933_100000210776 [0,2,0,0,0,0|1,0,0]=3 23829 B14R1.443 Cc1cc(cc(c1)OCCCCO)Cl 34a_100000087485_100011216708 [0,2,0,0,0,0|1,0,0]=3 23830 B14R1.443 Cc1cc(cc(c1)OCCCCO)Cl 7a_100000087485_100000210776 [0,2,0,0,0,0|1,0,0]=3 23831 B14R1.443 Cc1cc(cc(c1)OCCCCO)F 34a_100011830401_100011216708 [0,2,0,0,0,0|1,0,0]=3 23832 B14R1.443 Cc1cc(cc(c1)OCCCCO)F 7a_100011830401_100000210776 [0,2,0,0,0,0|1,0,0]=3 23833 B14R1.443 Cc1cc(cc(c1)OCCCCO)N 34a_100011995906_100011216708 [0,2,0,0,0,0|1,0,0]=3 23834 B14R1.443 Cc1cc(cc(c1)OCCCCO)N 7a_100011995906_100000210776 [0,2,0,0,0,0|1,0,0]=3 23835 B14R1.443 Cc1cc(cc(c1)SCCCCF)C 62a_100000729493_100011215608 [0,2,0,0,0,0|2,0,0]=4 23836 B14R1.443 Cc1cc(cc(c1)SCCCCF)C 62a_100011215608_100000729493 [0,2,0,0,0,0|2,0,0]=4 23837 B14R1.443 Cc1cc(cc(c1)SCCCCF)Cl 62a_100000729493_100010172791 [0,2,0,0,0,0|2,0,0]=4 23838 B14R1.443 Cc1cc(cc(c1)SCCCCF)Cl 62a_100010172791_100000729493 [0,2,0,0,0,0|2,0,0]=4 23839 B14R1.443 Cc1cc(cc(c1)SCCCCF)F 62a_100000729493_100011356977 [0,2,0,0,0,0|2,0,0]=4 23840 B14R1.443 Cc1cc(cc(c1)SCCCCF)F 62a_100011356977_100000729493 [0,2,0,0,0,0|2,0,0]=4 23841 B14R1.443 Cc1cc(cc(c1)SCCCCF)N 62a_100000695972_100000729493 [0,2,0,0,0,0|2,0,0]=4 23842 B14R1.443 Cc1cc(cc(c1)SCCCCF)N 62a_100000729493_100000695972 [0,2,0,0,0,0|2,0,0]=4 23843 B14R1.443 Cc1cc(cc(c1)SCCCCF)O 62a_100000729493_100011999630 [0,2,0,0,0,0|2,0,0]=4 23844 B14R1.443 Cc1cc(cc(c1)SCCCCO)C 62a_100000210776_100011215608 [0,2,0,0,0,0|1,0,0]=3 23845 B14R1.443 Cc1cc(cc(c1)SCCCCO)C 62a_100011215608_100000210776 [0,2,0,0,0,0|1,0,0]=3 23846 B14R1.443 Cc1cc(cc(c1)SCCCCO)Cl 62a_100000210776_100010172791 [0,2,0,0,0,0|1,0,0]=3 23847 B14R1.443 Cc1cc(cc(c1)SCCCCO)Cl 62a_100010172791_100000210776 [0,2,0,0,0,0|1,0,0]=3 23848 B14R1.443 Cc1cc(cc(c1)SCCCCO)F 62a_100000210776_100011356977 [0,2,0,0,0,0|1,0,0]=3 23849 B14R1.443 Cc1cc(cc(c1)SCCCCO)F 62a_100011356977_100000210776 [0,2,0,0,0,0|1,0,0]=3 23850 B14R1.443 Cc1cc(cc(c1)SCCCCO)N 62a_100000210776_100000695972 [0,2,0,0,0,0|1,0,0]=3 23851 B14R1.443 Cc1cc(cc(c1)SCCCCO)N 62a_100000695972_100000210776 [0,2,0,0,0,0|1,0,0]=3 23852 B14R1.443 Cc1cc(cc(c1)SCCCCO)O 62a_100000210776_100011999630 [0,2,0,0,0,0|1,0,0]=3 23853 B14R1.443 Cc1cc(cc(n1)C)CNCCCO 207a_100000182051_100011997668 [0,2,0,0,0,0|2,0,0]=4 23854 B14R1.443 Cc1cc(cc(n1)C)CNCCCO 270004a_100000182051_100011997668 [0,2,0,0,0,0|2,0,0]=4 23855 B14R1.443 Cc1cc(cc(n1)C)COCCCO 34a_100012017140_100000230001 [0,2,0,0,0,0|2,0,0]=4 23856 B14R1.443 Cc1cc(cc(n1)C)CSCCCO 62a_100011215043_200000139866 [0,2,0,0,0,0|2,0,0]=4 23857 B14R1.443 Cc1cc(cc(n1)C)CSCCCO 62a_200000139866_100011215043 [0,2,0,0,0,0|2,0,0]=4 23858 B14R1.443 Cc1cc(cc(n1)C)NCCCCO 27a_100000750430_100000066820 [0,2,0,0,0,0|2,0,0]=4 23859 B14R1.443 Cc1cc(cc(n1)C)SCCCCO 62a_100000066820_100000210776 [0,2,0,0,0,0|2,0,0]=4 23860 B14R1.443 Cc1cc(cc(n1)C)SCCCCO 62a_100000210776_100000066820 [0,2,0,0,0,0|2,0,0]=4 23861 B14R1.443 Cc1cc(cc(n1)CNCCCO)Br 270004a_100000182051_100009814795 [0,2,0,0,0,0|2,0,0]=4 23862 B14R1.443 Cc1cc(cc(n1)COCCCO)Br 34a_100010178681_100000230001 [0,2,0,0,0,0|2,0,0]=4 23863 B14R1.443 Cc1cc(cc(n1)Cl)NCCCCO 27a_100000750430_100010068023 [0,2,0,0,0,0|2,0,0]=4 23864 B14R1.443 Cc1cc(cc(n1)Cl)SCCCCO 62a_100000210776_100010068023 [0,2,0,0,0,0|2,0,0]=4 23865 B14R1.443 Cc1cc(cc(n1)Cl)SCCCCO 62a_100010068023_100000210776 [0,2,0,0,0,0|2,0,0]=4 23866 B14R1.443 Cc1cc(cc(n1)F)NCCCCO 27a_100000750430_100010006595 [0,2,0,0,0,0|2,0,0]=4 23867 B14R1.443 Cc1cc(cc(n1)F)SCCCCO 62a_100000210776_100010006595 [0,2,0,0,0,0|2,0,0]=4 23868 B14R1.443 Cc1cc(cc(n1)F)SCCCCO 62a_100010006595_100000210776 [0,2,0,0,0,0|2,0,0]=4 23869 B14R1.443 Cc1cc(cc(n1)N)SCCCCO 62a_100000076705_100000210776 [0,2,0,0,0,0|2,0,0]=4 23870 B14R1.443 Cc1cc(cc(n1)N)SCCCCO 62a_100000210776_100000076705 [0,2,0,0,0,0|2,0,0]=4 23871 B14R1.443 Cc1cc(cc(n1)SCCCCO)N 62a_100000071261_100000210776 [0,2,0,0,0,0|2,0,0]=4 23872 B14R1.443 Cc1cc(cc(n1)SCCCCO)N 62a_100000210776_100000071261 [0,2,0,0,0,0|2,0,0]=4 23873 B14R1.443 Cc1cc(nc(c1)COCCCO)C 34a_100012182918_100000230001 [0,2,0,0,0,0|2,0,0]=4 23874 B14R1.443 Cc1cc(nc(c1)CSCCCO)C 62a_100011215043_100012357514 [0,2,0,0,0,0|2,0,0]=4 23875 B14R1.443 Cc1cc(nc(c1)CSCCCO)C 62a_100012357514_100011215043 [0,2,0,0,0,0|2,0,0]=4 23876 B14R1.443 Cc1cc(nc(c1)NCCCCO)C 27a_100000750430_100000069240 [0,2,0,0,0,0|2,0,0]=4 23877 B14R1.443 Cc1cc(nc(c1)NCCCCO)F 27a_100000750430_100009819601 [0,2,0,0,0,0|2,0,0]=4 23878 B14R1.443 Cc1cc(nc(c1)SCCCCO)C 62a_100000069240_100000210776 [0,2,0,0,0,0|2,0,0]=4 23879 B14R1.443 Cc1cc(nc(c1)SCCCCO)C 62a_100000210776_100000069240 [0,2,0,0,0,0|2,0,0]=4 23880 B14R1.443 Cc1cc(nc(c1)SCCCCO)F 62a_100000210776_100009819601 [0,2,0,0,0,0|2,0,0]=4 23881 B14R1.443 Cc1cc(nc(c1)SCCCCO)F 62a_100009819601_100000210776 [0,2,0,0,0,0|2,0,0]=4 23882 B14R1.443 Cc1cc(nc(c1)SCCCCO)N 62a_100000210776_100009819863 [0,2,0,0,0,0|2,0,0]=4 23883 B14R1.443 Cc1cc(nc(c1)SCCCCO)N 62a_100009819863_100000210776 [0,2,0,0,0,0|2,0,0]=4 23884 B14R1.443 ClCCCOCc1cc(cc(c1)Br)Br 34a_100000230001_100011216082 [0,2,0,0,0,0|2,0,0]=4 23885 B14R1.443 ClCCCOCc1cc(cc(c1)I)Br 34a_100000230001_100010146614 [0,2,0,0,0,0|2,0,0]=4 23886 B14R1.443 Clc1cc(cc(c1)CCOCCBr)Cl 34a_100000211926_100000691793 [0,2,0,0,0,0|2,0,0]=4 23887 B14R1.443 FCCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100000729493 [0,2,0,0,0,0|2,0,0]=4 23888 B14R1.443 FCCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000729493 [0,2,0,0,0,0|2,0,0]=4 23889 B14R1.443 FCCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100000729493 [0,2,0,0,0,0|2,0,0]=4 23890 B14R1.443 FCCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000729493 [0,2,0,0,0,0|2,0,0]=4 23891 B14R1.443 FCCCCNc1cc(cc(c1)Br)F 34a_100000705686_100000729493 [0,2,0,0,0,0|2,0,0]=4 23892 B14R1.443 FCCCCNc1cc(cc(c1)Br)F 7a_100000705686_100000729493 [0,2,0,0,0,0|2,0,0]=4 23893 B14R1.443 FCCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000729493 [0,2,0,0,0,0|2,0,0]=4 23894 B14R1.443 FCCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000729493 [0,2,0,0,0,0|2,0,0]=4 23895 B14R1.443 FCCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100000729493 [0,2,0,0,0,0|2,0,0]=4 23896 B14R1.443 FCCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000729493 [0,2,0,0,0,0|2,0,0]=4 23897 B14R1.443 FCCCCNc1cc(cc(c1)F)F 34a_100000233717_100000729493 [0,2,0,0,0,0|2,0,0]=4 23898 B14R1.443 FCCCCNc1cc(cc(c1)F)F 7a_100000233717_100000729493 [0,2,0,0,0,0|2,0,0]=4 23899 B14R1.443 FCCCCNc1cc(cc(c1)I)Br 7a_100009814763_100000729493 [0,2,0,0,0,0|2,0,0]=4 23900 B14R1.443 FCCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000729493 [0,2,0,0,0,0|2,0,0]=4 23901 B14R1.443 FCCCCNc1cc(cc(c1)I)F 34a_100011356972_100000729493 [0,2,0,0,0,0|2,0,0]=4 23902 B14R1.443 FCCCCNc1cc(cc(c1)I)F 7a_100011356972_100000729493 [0,2,0,0,0,0|2,0,0]=4 23903 B14R1.443 FCCCCNc1cc(cc(c1)I)I 7a_200000696836_100000729493 [0,2,0,0,0,0|2,0,0]=4 23904 B14R1.443 FCCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100000729493 [0,2,0,0,0,0|2,0,0]=4 23905 B14R1.443 FCCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000729493 [0,2,0,0,0,0|2,0,0]=4 23906 B14R1.443 FCCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000729493 [0,2,0,0,0,0|2,0,0]=4 23907 B14R1.443 FCCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000729493 [0,2,0,0,0,0|2,0,0]=4 23908 B14R1.443 FCCCCOc1cc(cc(c1)Br)F 34a_100000688818_100000729493 [0,2,0,0,0,0|2,0,0]=4 23909 B14R1.443 FCCCCOc1cc(cc(c1)Br)F 7a_100000688818_100000729493 [0,2,0,0,0,0|2,0,0]=4 23910 B14R1.443 FCCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000729493 [0,2,0,0,0,0|2,0,0]=4 23911 B14R1.443 FCCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000729493 [0,2,0,0,0,0|2,0,0]=4 23912 B14R1.443 FCCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000729493 [0,2,0,0,0,0|2,0,0]=4 23913 B14R1.443 FCCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000729493 [0,2,0,0,0,0|2,0,0]=4 23914 B14R1.443 FCCCCOc1cc(cc(c1)F)F 34a_100000747503_100000729493 [0,2,0,0,0,0|2,0,0]=4 23915 B14R1.443 FCCCCOc1cc(cc(c1)F)F 7a_100000747503_100000729493 [0,2,0,0,0,0|2,0,0]=4 23916 B14R1.443 FCCCCOc1cc(cc(c1)I)Br 34a_100010068917_100000729493 [0,2,0,0,0,0|2,0,0]=4 23917 B14R1.443 FCCCCOc1cc(cc(c1)I)Br 7a_100010068917_100000729493 [0,2,0,0,0,0|2,0,0]=4 23918 B14R1.443 FCCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000729493 [0,2,0,0,0,0|2,0,0]=4 23919 B14R1.443 FCCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000729493 [0,2,0,0,0,0|2,0,0]=4 23920 B14R1.443 FCCCCOc1cc(cc(c1)I)F 34a_100000717995_100000729493 [0,2,0,0,0,0|2,0,0]=4 23921 B14R1.443 FCCCCOc1cc(cc(c1)I)F 7a_100000717995_100000729493 [0,2,0,0,0,0|2,0,0]=4 23922 B14R1.443 FCCCCSc1cc(cc(c1)Br)Br 62a_100000729493_100009814770 [0,2,0,0,0,0|2,0,0]=4 23923 B14R1.443 FCCCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000729493 [0,2,0,0,0,0|2,0,0]=4 23924 B14R1.443 FCCCCSc1cc(cc(c1)Br)Cl 62a_100000729493_100009814755 [0,2,0,0,0,0|2,0,0]=4 23925 B14R1.443 FCCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000729493 [0,2,0,0,0,0|2,0,0]=4 23926 B14R1.443 FCCCCSc1cc(cc(c1)Br)F 62a_100000729493_100009814764 [0,2,0,0,0,0|2,0,0]=4 23927 B14R1.443 FCCCCSc1cc(cc(c1)Br)F 62a_100009814764_100000729493 [0,2,0,0,0,0|2,0,0]=4 23928 B14R1.443 FCCCCSc1cc(cc(c1)Cl)Cl 62a_100000729493_100000747138 [0,2,0,0,0,0|2,0,0]=4 23929 B14R1.443 FCCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000729493 [0,2,0,0,0,0|2,0,0]=4 23930 B14R1.443 FCCCCSc1cc(cc(c1)Cl)F 62a_100000729493_100013859453 [0,2,0,0,0,0|2,0,0]=4 23931 B14R1.443 FCCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000729493 [0,2,0,0,0,0|2,0,0]=4 23932 B14R1.443 FCCCCSc1cc(cc(c1)F)F 62a_100000233788_100000729493 [0,2,0,0,0,0|2,0,0]=4 23933 B14R1.443 FCCCCSc1cc(cc(c1)F)F 62a_100000729493_100000233788 [0,2,0,0,0,0|2,0,0]=4 23934 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 207a_100015189416_100000719502 [0,2,0,0,0,0|2,0,0]=4 23935 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 2230a_100015189416_100011216082 [0,2,0,0,0,0|2,0,0]=4 23936 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100011934791 [0,2,0,0,0,0|2,0,0]=4 23937 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 269862a_100015189416_100000719502 [0,2,0,0,0,0|2,0,0]=4 23938 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 270004a_100015189416_100000719502 [0,2,0,0,0,0|2,0,0]=4 23939 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 34a_100015189416_100011216082 [0,2,0,0,0,0|2,0,0]=4 23940 B14R1.443 FCCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100011934791 [0,2,0,0,0,0|2,0,0]=4 23941 B14R1.443 FCCCNCc1cc(cc(c1)Br)Cl 207a_100015189416_100011934515 [0,2,0,0,0,0|2,0,0]=4 23942 B14R1.443 FCCCNCc1cc(cc(c1)Br)Cl 269862a_100015189416_100011934515 [0,2,0,0,0,0|2,0,0]=4 23943 B14R1.443 FCCCNCc1cc(cc(c1)Br)Cl 270004a_100015189416_100011934515 [0,2,0,0,0,0|2,0,0]=4 23944 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 207a_100015189416_100011794424 [0,2,0,0,0,0|2,0,0]=4 23945 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 2230a_100015189416_100000766940 [0,2,0,0,0,0|2,0,0]=4 23946 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100011934791 [0,2,0,0,0,0|2,0,0]=4 23947 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 269862a_100015189416_100011794424 [0,2,0,0,0,0|2,0,0]=4 23948 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 270004a_100015189416_100011794424 [0,2,0,0,0,0|2,0,0]=4 23949 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 34a_100015189416_100000766940 [0,2,0,0,0,0|2,0,0]=4 23950 B14R1.443 FCCCNCc1cc(cc(c1)Br)F 34a_100020611034_100011934791 [0,2,0,0,0,0|2,0,0]=4 23951 B14R1.443 FCCCNCc1cc(cc(c1)Cl)Cl 207a_100015189416_100000741761 [0,2,0,0,0,0|2,0,0]=4 23952 B14R1.443 FCCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100011934791 [0,2,0,0,0,0|2,0,0]=4 23953 B14R1.443 FCCCNCc1cc(cc(c1)Cl)Cl 2230a_100015189416_100000685807 [0,2,0,0,0,0|2,0,0]=4 23954 B14R1.443 FCCCNCc1cc(cc(c1)Cl)Cl 270004a_100015189416_100000741761 [0,2,0,0,0,0|2,0,0]=4 23955 B14R1.443 FCCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100011934791 [0,2,0,0,0,0|2,0,0]=4 23956 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 207a_100015189416_100000703917 [0,2,0,0,0,0|2,0,0]=4 23957 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 2230a_100015189416_100011219885 [0,2,0,0,0,0|2,0,0]=4 23958 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100011934791 [0,2,0,0,0,0|2,0,0]=4 23959 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 269862a_100015189416_100000703917 [0,2,0,0,0,0|2,0,0]=4 23960 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 270004a_100015189416_100000703917 [0,2,0,0,0,0|2,0,0]=4 23961 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 34a_100015189416_100011219885 [0,2,0,0,0,0|2,0,0]=4 23962 B14R1.443 FCCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100011934791 [0,2,0,0,0,0|2,0,0]=4 23963 B14R1.443 FCCCNCc1cc(cc(c1)F)F 207a_100015189416_100000743029 [0,2,0,0,0,0|2,0,0]=4 23964 B14R1.443 FCCCNCc1cc(cc(c1)F)F 2230a_100000737602_100011934791 [0,2,0,0,0,0|2,0,0]=4 23965 B14R1.443 FCCCNCc1cc(cc(c1)F)F 2230a_100015189416_100000697002 [0,2,0,0,0,0|2,0,0]=4 23966 B14R1.443 FCCCNCc1cc(cc(c1)F)F 269862a_100015189416_100000743029 [0,2,0,0,0,0|2,0,0]=4 23967 B14R1.443 FCCCNCc1cc(cc(c1)F)F 270004a_100015189416_100000743029 [0,2,0,0,0,0|2,0,0]=4 23968 B14R1.443 FCCCNCc1cc(cc(c1)F)F 34a_100000737602_100011934791 [0,2,0,0,0,0|2,0,0]=4 23969 B14R1.443 FCCCNCc1cc(cc(c1)F)F 34a_100015189416_100000697002 [0,2,0,0,0,0|2,0,0]=4 23970 B14R1.443 FCCCNCc1cc(cc(c1)I)Br 207a_100015189416_100010185649 [0,2,0,0,0,0|2,0,0]=4 23971 B14R1.443 FCCCNCc1cc(cc(c1)I)Br 2230a_100015189416_100010146614 [0,2,0,0,0,0|2,0,0]=4 23972 B14R1.443 FCCCNCc1cc(cc(c1)I)Br 269862a_100015189416_100010185649 [0,2,0,0,0,0|2,0,0]=4 23973 B14R1.443 FCCCNCc1cc(cc(c1)I)Br 270004a_100015189416_100010185649 [0,2,0,0,0,0|2,0,0]=4 23974 B14R1.443 FCCCNCc1cc(cc(c1)I)Br 34a_100015189416_100010146614 [0,2,0,0,0,0|2,0,0]=4 23975 B14R1.443 FCCCNCc1cc(cc(c1)I)F 207a_100015189416_100010185655 [0,2,0,0,0,0|2,0,0]=4 23976 B14R1.443 FCCCNCc1cc(cc(c1)I)F 2230a_100015189416_100010149605 [0,2,0,0,0,0|2,0,0]=4 23977 B14R1.443 FCCCNCc1cc(cc(c1)I)F 269862a_100015189416_100010185655 [0,2,0,0,0,0|2,0,0]=4 23978 B14R1.443 FCCCNCc1cc(cc(c1)I)F 270004a_100015189416_100010185655 [0,2,0,0,0,0|2,0,0]=4 23979 B14R1.443 FCCCNCc1cc(cc(c1)I)F 34a_100015189416_100010149605 [0,2,0,0,0,0|2,0,0]=4 23980 B14R1.443 FCCCNCc1cc(cc(c1)I)I 207a_100015189416_100010185653 [0,2,0,0,0,0|2,0,0]=4 23981 B14R1.443 FCCCNCc1cc(cc(c1)I)I 269862a_100015189416_100010185653 [0,2,0,0,0,0|2,0,0]=4 23982 B14R1.443 FCCCOCc1cc(cc(c1)Br)Br 34a_100000759539_100011216082 [0,2,0,0,0,0|2,0,0]=4 23983 B14R1.443 FCCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100011934791 [0,2,0,0,0,0|2,0,0]=4 23984 B14R1.443 FCCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100011934791 [0,2,0,0,0,0|2,0,0]=4 23985 B14R1.443 FCCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100011934791 [0,2,0,0,0,0|2,0,0]=4 23986 B14R1.443 FCCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100011934791 [0,2,0,0,0,0|2,0,0]=4 23987 B14R1.443 FCCCOCc1cc(cc(c1)Br)F 34a_100000759539_100000766940 [0,2,0,0,0,0|2,0,0]=4 23988 B14R1.443 FCCCOCc1cc(cc(c1)Br)F 34a_100000766897_100011934791 [0,2,0,0,0,0|2,0,0]=4 23989 B14R1.443 FCCCOCc1cc(cc(c1)Br)F 7a_100000766897_100011934791 [0,2,0,0,0,0|2,0,0]=4 23990 B14R1.443 FCCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100011934791 [0,2,0,0,0,0|2,0,0]=4 23991 B14R1.443 FCCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100011934791 [0,2,0,0,0,0|2,0,0]=4 23992 B14R1.443 FCCCOCc1cc(cc(c1)Cl)F 34a_100000759539_100011219885 [0,2,0,0,0,0|2,0,0]=4 23993 B14R1.443 FCCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100011934791 [0,2,0,0,0,0|2,0,0]=4 23994 B14R1.443 FCCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100011934791 [0,2,0,0,0,0|2,0,0]=4 23995 B14R1.443 FCCCOCc1cc(cc(c1)F)F 34a_100000759539_100000697002 [0,2,0,0,0,0|2,0,0]=4 23996 B14R1.443 FCCCOCc1cc(cc(c1)F)F 34a_100011215443_100011934791 [0,2,0,0,0,0|2,0,0]=4 23997 B14R1.443 FCCCOCc1cc(cc(c1)F)F 7a_100011215443_100011934791 [0,2,0,0,0,0|2,0,0]=4 23998 B14R1.443 FCCCOCc1cc(cc(c1)I)Br 34a_100000759539_100010146614 [0,2,0,0,0,0|2,0,0]=4 23999 B14R1.443 FCCCOCc1cc(cc(c1)I)Br 7a_100009814756_100011934791 [0,2,0,0,0,0|2,0,0]=4 24000 B14R1.443 FCCCOCc1cc(cc(c1)I)F 34a_100000759539_100010149605 [0,2,0,0,0,0|2,0,0]=4 24001 B14R1.443 FCCCOCc1cc(cc(c1)I)F 34a_100010149598_100011934791 [0,2,0,0,0,0|2,0,0]=4 24002 B14R1.443 FCCCOCc1cc(cc(c1)I)F 7a_100010149598_100011934791 [0,2,0,0,0,0|2,0,0]=4 24003 B14R1.443 FCCCOCc1cc(cc(c1)I)I 7a_100010205817_100011934791 [0,2,0,0,0,0|2,0,0]=4 24004 B14R1.443 FCCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100011934791 [0,2,0,0,0,0|2,0,0]=4 24005 B14R1.443 FCCCSCc1cc(cc(c1)Br)Br 62a_100011934791_100011216082 [0,2,0,0,0,0|2,0,0]=4 24006 B14R1.443 FCCCSCc1cc(cc(c1)Br)F 62a_100000766940_100011934791 [0,2,0,0,0,0|2,0,0]=4 24007 B14R1.443 FCCCSCc1cc(cc(c1)Br)F 62a_100011934791_100000766940 [0,2,0,0,0,0|2,0,0]=4 24008 B14R1.443 FCCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100011934791 [0,2,0,0,0,0|2,0,0]=4 24009 B14R1.443 FCCCSCc1cc(cc(c1)Cl)Cl 62a_100011934791_100011219208 [0,2,0,0,0,0|2,0,0]=4 24010 B14R1.443 FCCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100011934791 [0,2,0,0,0,0|2,0,0]=4 24011 B14R1.443 FCCCSCc1cc(cc(c1)Cl)F 62a_100011934791_100011219885 [0,2,0,0,0,0|2,0,0]=4 24012 B14R1.443 FCCCSCc1cc(cc(c1)F)F 62a_100000697002_100011934791 [0,2,0,0,0,0|2,0,0]=4 24013 B14R1.443 FCCCSCc1cc(cc(c1)F)F 62a_100011934791_100000697002 [0,2,0,0,0,0|2,0,0]=4 24014 B14R1.443 FCCCSCc1cc(cc(c1)I)Br 62a_100010146614_100011934791 [0,2,0,0,0,0|2,0,0]=4 24015 B14R1.443 FCCCSCc1cc(cc(c1)I)Br 62a_100011934791_100010146614 [0,2,0,0,0,0|2,0,0]=4 24016 B14R1.443 FCCCSCc1cc(cc(c1)I)F 62a_100010149605_100011934791 [0,2,0,0,0,0|2,0,0]=4 24017 B14R1.443 FCCCSCc1cc(cc(c1)I)F 62a_100011934791_100010149605 [0,2,0,0,0,0|2,0,0]=4 24018 B14R1.443 FCCNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100011217306 [0,2,0,0,0,0|2,0,0]=4 24019 B14R1.443 FCCNCCc1cc(cc(c1)Cl)Cl 34a_100000724931_100000691793 [0,2,0,0,0,0|2,0,0]=4 24020 B14R1.443 FCCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100011217306 [0,2,0,0,0,0|2,0,0]=4 24021 B14R1.443 FCCNCCc1cc(cc(c1)F)F 2230a_100000748410_100011217306 [0,2,0,0,0,0|2,0,0]=4 24022 B14R1.443 FCCNCCc1cc(cc(c1)F)F 34a_100000724931_100011754442 [0,2,0,0,0,0|2,0,0]=4 24023 B14R1.443 FCCNCCc1cc(cc(c1)F)F 34a_100000748410_100011217306 [0,2,0,0,0,0|2,0,0]=4 24024 B14R1.443 FCCOCCc1cc(cc(c1)Br)Br 34a_100010243668_100011217306 [0,2,0,0,0,0|2,0,0]=4 24025 B14R1.443 FCCOCCc1cc(cc(c1)Br)Br 7a_100010243668_100011217306 [0,2,0,0,0,0|2,0,0]=4 24026 B14R1.443 FCCOCCc1cc(cc(c1)Br)F 34a_100012630564_100011217306 [0,2,0,0,0,0|2,0,0]=4 24027 B14R1.443 FCCOCCc1cc(cc(c1)Br)F 7a_100012630564_100011217306 [0,2,0,0,0,0|2,0,0]=4 24028 B14R1.443 FCCOCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100011217306 [0,2,0,0,0,0|2,0,0]=4 24029 B14R1.443 FCCOCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100011217306 [0,2,0,0,0,0|2,0,0]=4 24030 B14R1.443 FCCOCCc1cc(cc(c1)F)F 34a_100011754358_100011217306 [0,2,0,0,0,0|2,0,0]=4 24031 B14R1.443 FCCOCCc1cc(cc(c1)F)F 7a_100011754358_100011217306 [0,2,0,0,0,0|2,0,0]=4 24032 B14R1.443 FCCSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100011217306 [0,2,0,0,0,0|2,0,0]=4 24033 B14R1.443 FCCSCCc1cc(cc(c1)Cl)Cl 62a_100011217306_100000691793 [0,2,0,0,0,0|2,0,0]=4 24034 B14R1.443 FCCSCCc1cc(cc(c1)F)F 62a_100011217306_100011754442 [0,2,0,0,0,0|2,0,0]=4 24035 B14R1.443 FCCSCCc1cc(cc(c1)F)F 62a_100011754442_100011217306 [0,2,0,0,0,0|2,0,0]=4 24036 B14R1.443 FCOCCCc1cc(cc(c1)F)F 34a_100011999496_100015361967 [0,2,0,0,0,0|2,0,0]=4 24037 B14R1.443 FCOCCCc1cc(cc(c1)F)F 7a_100011999496_100015361967 [0,2,0,0,0,0|2,0,0]=4 24038 B14R1.443 Fc1cc(cc(c1)CCOCCBr)F 34a_100000211926_100011754442 [0,2,0,0,0,0|2,0,0]=4 24039 B14R1.443 Fc1cc(cc(c1)COCCCBr)Br 34a_100011217188_100000766940 [0,2,0,0,0,0|2,0,0]=4 24040 B14R1.443 Fc1cc(cc(c1)COCCCBr)Cl 34a_100011217188_100011219885 [0,2,0,0,0,0|2,0,0]=4 24041 B14R1.443 Fc1cc(cc(c1)COCCCBr)F 34a_100011217188_100000697002 [0,2,0,0,0,0|2,0,0]=4 24042 B14R1.443 Fc1cc(cc(c1)COCCCBr)I 34a_100011217188_100010149605 [0,2,0,0,0,0|2,0,0]=4 24043 B14R1.443 Fc1cc(cc(c1)COCCCCl)Br 34a_100000230001_100000766940 [0,2,0,0,0,0|2,0,0]=4 24044 B14R1.443 Fc1cc(cc(c1)COCCCCl)Cl 34a_100000230001_100011219885 [0,2,0,0,0,0|2,0,0]=4 24045 B14R1.443 Fc1cc(cc(c1)COCCCCl)F 34a_100000230001_100000697002 [0,2,0,0,0,0|2,0,0]=4 24046 B14R1.443 Fc1cc(cc(c1)COCCCCl)I 34a_100000230001_100010149605 [0,2,0,0,0,0|2,0,0]=4 24047 B14R1.443 NCCCOCc1cc(cc(c1)Br)Br 34a_100000182051_100011216082 [0,2,0,0,0,0|2,0,0]=4 24048 B14R1.443 NCCCOCc1cc(cc(c1)Br)F 34a_100000182051_100000766940 [0,2,0,0,0,0|2,0,0]=4 24049 B14R1.443 NCCCOCc1cc(cc(c1)Cl)F 34a_100000182051_100011219885 [0,2,0,0,0,0|2,0,0]=4 24050 B14R1.443 NCCCOCc1cc(cc(c1)F)F 34a_100000182051_100000697002 [0,2,0,0,0,0|2,0,0]=4 24051 B14R1.443 NCCCOCc1cc(cc(c1)I)Br 34a_100000182051_100010146614 [0,2,0,0,0,0|2,0,0]=4 24052 B14R1.443 NCCCOCc1cc(cc(c1)I)F 34a_100000182051_100010149605 [0,2,0,0,0,0|2,0,0]=4 24053 B14R1.443 NCCOCCc1cc(cc(c1)Cl)Cl 34a_100000210304_100000691793 [0,2,0,0,0,0|2,0,0]=4 24054 B14R1.443 NCCOCCc1cc(cc(c1)F)F 34a_100000210304_100011754442 [0,2,0,0,0,0|2,0,0]=4 24055 B14R1.443 Nc1cc(cc(c1)COCCCF)Cl 34a_100012002482_100011934791 [0,2,0,0,0,0|2,0,0]=4 24056 B14R1.443 Nc1cc(cc(c1)COCCCF)Cl 7a_100012002482_100011934791 [0,2,0,0,0,0|2,0,0]=4 24057 B14R1.443 Nc1cc(cc(c1)COCCCF)N 34a_100000032468_100011934791 [0,2,0,0,0,0|2,0,0]=4 24058 B14R1.443 Nc1cc(cc(c1)COCCCO)Cl 34a_100012002482_100000230001 [0,2,0,0,0,0|1,0,0]=3 24059 B14R1.443 Nc1cc(cc(c1)COCCCO)Cl 7a_100012002482_100011215043 [0,2,0,0,0,0|1,0,0]=3 24060 B14R1.443 Nc1cc(cc(c1)COCCCO)N 34a_100000032468_100000230001 [0,2,0,0,0,0|1,0,0]=3 24061 B14R1.443 Nc1cc(cc(c1)OCCCCF)Cl 34a_100000123917_100000729493 [0,2,0,0,0,0|2,0,0]=4 24062 B14R1.443 Nc1cc(cc(c1)OCCCCF)Cl 7a_100000123917_100000729493 [0,2,0,0,0,0|2,0,0]=4 24063 B14R1.443 Nc1cc(cc(c1)OCCCCO)Cl 34a_100000123917_100011216708 [0,2,0,0,0,0|1,0,0]=3 24064 B14R1.443 Nc1cc(cc(c1)OCCCCO)Cl 7a_100000123917_100000210776 [0,2,0,0,0,0|1,0,0]=3 24065 B14R1.443 Nc1cc(cc(c1)SCCCCF)Br 62a_100000729493_100009814763 [0,2,0,0,0,0|2,0,0]=4 24066 B14R1.443 Nc1cc(cc(c1)SCCCCF)Br 62a_100009814763_100000729493 [0,2,0,0,0,0|2,0,0]=4 24067 B14R1.443 Nc1cc(cc(c1)SCCCCF)Cl 62a_100000729493_100010147676 [0,2,0,0,0,0|2,0,0]=4 24068 B14R1.443 Nc1cc(cc(c1)SCCCCF)Cl 62a_100010147676_100000729493 [0,2,0,0,0,0|2,0,0]=4 24069 B14R1.443 Nc1cc(cc(c1)SCCCCF)F 62a_100000729493_100011356972 [0,2,0,0,0,0|2,0,0]=4 24070 B14R1.443 Nc1cc(cc(c1)SCCCCF)F 62a_100011356972_100000729493 [0,2,0,0,0,0|2,0,0]=4 24071 B14R1.443 Nc1cc(cc(c1)SCCCCF)N 62a_100000729493_100011999608 [0,2,0,0,0,0|2,0,0]=4 24072 B14R1.443 Nc1cc(cc(c1)SCCCCF)N 62a_100011999608_100000729493 [0,2,0,0,0,0|2,0,0]=4 24073 B14R1.443 Nc1cc(cc(c1)SCCCCO)Br 62a_100000210776_100009814763 [0,2,0,0,0,0|1,0,0]=3 24074 B14R1.443 Nc1cc(cc(c1)SCCCCO)Br 62a_100009814763_100000210776 [0,2,0,0,0,0|1,0,0]=3 24075 B14R1.443 Nc1cc(cc(c1)SCCCCO)Cl 62a_100000210776_100010147676 [0,2,0,0,0,0|1,0,0]=3 24076 B14R1.443 Nc1cc(cc(c1)SCCCCO)Cl 62a_100010147676_100000210776 [0,2,0,0,0,0|1,0,0]=3 24077 B14R1.443 Nc1cc(cc(c1)SCCCCO)F 62a_100000210776_100011356972 [0,2,0,0,0,0|1,0,0]=3 24078 B14R1.443 Nc1cc(cc(c1)SCCCCO)F 62a_100011356972_100000210776 [0,2,0,0,0,0|1,0,0]=3 24079 B14R1.443 Nc1cc(cc(c1)SCCCCO)N 62a_100000210776_100011999608 [0,2,0,0,0,0|1,0,0]=3 24080 B14R1.443 Nc1cc(cc(c1)SCCCCO)N 62a_100011999608_100000210776 [0,2,0,0,0,0|1,0,0]=3 24081 B14R1.443 Nc1cc(cc(n1)Cl)SCCCCO 62a_100000210776_200011084131 [0,2,0,0,0,0|2,0,0]=4 24082 B14R1.443 Nc1cc(cc(n1)Cl)SCCCCO 62a_200011084131_100000210776 [0,2,0,0,0,0|2,0,0]=4 24083 B14R1.443 Nc1cc(cc(n1)N)SCCCCO 62a_100009816676_100000210776 [0,2,0,0,0,0|2,0,0]=4 24084 B14R1.443 Nc1cc(nc(c1)SCCCCO)O 62a_100000210776_200012179554 [0,2,0,0,0,0|2,0,0]=4 24085 B14R1.443 OCCCCNc1cc(cc(c1)Br)Br 27a_100000750430_100009814770 [0,2,0,0,0,0|1,0,0]=3 24086 B14R1.443 OCCCCNc1cc(cc(c1)Br)Br 34a_100012047176_100011216708 [0,2,0,0,0,0|1,0,0]=3 24087 B14R1.443 OCCCCNc1cc(cc(c1)Br)Br 7a_100012047176_100000210776 [0,2,0,0,0,0|1,0,0]=3 24088 B14R1.443 OCCCCNc1cc(cc(c1)Br)Cl 34a_100011934539_100011216708 [0,2,0,0,0,0|1,0,0]=3 24089 B14R1.443 OCCCCNc1cc(cc(c1)Br)Cl 7a_100011934539_100000210776 [0,2,0,0,0,0|1,0,0]=3 24090 B14R1.443 OCCCCNc1cc(cc(c1)Br)F 34a_100000705686_100011216708 [0,2,0,0,0,0|1,0,0]=3 24091 B14R1.443 OCCCCNc1cc(cc(c1)Br)F 7a_100000705686_100000210776 [0,2,0,0,0,0|1,0,0]=3 24092 B14R1.443 OCCCCNc1cc(cc(c1)Cl)Cl 34a_100000210456_100011216708 [0,2,0,0,0,0|1,0,0]=3 24093 B14R1.443 OCCCCNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000210776 [0,2,0,0,0,0|1,0,0]=3 24094 B14R1.443 OCCCCNc1cc(cc(c1)Cl)F 34a_100000686136_100011216708 [0,2,0,0,0,0|1,0,0]=3 24095 B14R1.443 OCCCCNc1cc(cc(c1)Cl)F 7a_100000686136_100000210776 [0,2,0,0,0,0|1,0,0]=3 24096 B14R1.443 OCCCCNc1cc(cc(c1)Cl)O 34a_100000123917_100011216708 [0,2,0,0,0,0|1,0,0]=3 24097 B14R1.443 OCCCCNc1cc(cc(c1)Cl)O 7a_100000123917_100000210776 [0,2,0,0,0,0|1,0,0]=3 24098 B14R1.443 OCCCCNc1cc(cc(c1)F)F 34a_100000233717_100011216708 [0,2,0,0,0,0|1,0,0]=3 24099 B14R1.443 OCCCCNc1cc(cc(c1)F)F 7a_100000233717_100000210776 [0,2,0,0,0,0|1,0,0]=3 24100 B14R1.443 OCCCCNc1cc(cc(c1)I)Br 7a_100009814763_100000210776 [0,2,0,0,0,0|1,0,0]=3 24101 B14R1.443 OCCCCNc1cc(cc(c1)I)Cl 7a_100010147676_100000210776 [0,2,0,0,0,0|1,0,0]=3 24102 B14R1.443 OCCCCNc1cc(cc(c1)I)F 34a_100011356972_100011216708 [0,2,0,0,0,0|1,0,0]=3 24103 B14R1.443 OCCCCNc1cc(cc(c1)I)F 7a_100011356972_100000210776 [0,2,0,0,0,0|1,0,0]=3 24104 B14R1.443 OCCCCNc1cc(cc(c1)I)I 7a_200000696836_100000210776 [0,2,0,0,0,0|1,0,0]=3 24105 B14R1.443 OCCCCNc1cc(cc(c1)O)O 34a_100000043371_100011216708 [0,2,0,0,0,0|1,0,0]=3 24106 B14R1.443 OCCCCNc1cc(nc(c1)Cl)F 27a_100000750430_100011069727 [0,2,0,0,0,0|2,0,0]=4 24107 B14R1.443 OCCCCNc1cc(nc(c1)F)F 27a_100000750430_100000049587 [0,2,0,0,0,0|2,0,0]=4 24108 B14R1.443 OCCCCOc1cc(cc(c1)Br)Br 34a_100010167048_100011216708 [0,2,0,0,0,0|1,0,0]=3 24109 B14R1.443 OCCCCOc1cc(cc(c1)Br)Br 7a_100010167048_100000210776 [0,2,0,0,0,0|1,0,0]=3 24110 B14R1.443 OCCCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100011216708 [0,2,0,0,0,0|1,0,0]=3 24111 B14R1.443 OCCCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000210776 [0,2,0,0,0,0|1,0,0]=3 24112 B14R1.443 OCCCCOc1cc(cc(c1)Br)F 34a_100000688818_100011216708 [0,2,0,0,0,0|1,0,0]=3 24113 B14R1.443 OCCCCOc1cc(cc(c1)Br)F 7a_100000688818_100000210776 [0,2,0,0,0,0|1,0,0]=3 24114 B14R1.443 OCCCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100011216708 [0,2,0,0,0,0|1,0,0]=3 24115 B14R1.443 OCCCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000210776 [0,2,0,0,0,0|1,0,0]=3 24116 B14R1.443 OCCCCOc1cc(cc(c1)Cl)F 34a_100011219751_100011216708 [0,2,0,0,0,0|1,0,0]=3 24117 B14R1.443 OCCCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000210776 [0,2,0,0,0,0|1,0,0]=3 24118 B14R1.443 OCCCCOc1cc(cc(c1)F)F 34a_100000747503_100011216708 [0,2,0,0,0,0|1,0,0]=3 24119 B14R1.443 OCCCCOc1cc(cc(c1)F)F 7a_100000747503_100000210776 [0,2,0,0,0,0|1,0,0]=3 24120 B14R1.443 OCCCCOc1cc(cc(c1)I)Br 34a_100010068917_100011216708 [0,2,0,0,0,0|1,0,0]=3 24121 B14R1.443 OCCCCOc1cc(cc(c1)I)Br 7a_100010068917_100000210776 [0,2,0,0,0,0|1,0,0]=3 24122 B14R1.443 OCCCCOc1cc(cc(c1)I)Cl 34a_100010068924_100011216708 [0,2,0,0,0,0|1,0,0]=3 24123 B14R1.443 OCCCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000210776 [0,2,0,0,0,0|1,0,0]=3 24124 B14R1.443 OCCCCOc1cc(cc(c1)I)F 34a_100000717995_100011216708 [0,2,0,0,0,0|1,0,0]=3 24125 B14R1.443 OCCCCOc1cc(cc(c1)I)F 7a_100000717995_100000210776 [0,2,0,0,0,0|1,0,0]=3 24126 B14R1.443 OCCCCOc1cc(nc(c1)Br)Br 34a_100010172823_100011216708 [0,2,0,0,0,0|2,0,0]=4 24127 B14R1.443 OCCCCOc1cc(nc(c1)Br)Br 7a_100010172823_100000210776 [0,2,0,0,0,0|2,0,0]=4 24128 B14R1.443 OCCCCSc1cc(cc(c1)Br)Br 62a_100000210776_100009814770 [0,2,0,0,0,0|1,0,0]=3 24129 B14R1.443 OCCCCSc1cc(cc(c1)Br)Br 62a_100009814770_100000210776 [0,2,0,0,0,0|1,0,0]=3 24130 B14R1.443 OCCCCSc1cc(cc(c1)Br)Cl 62a_100000210776_100009814755 [0,2,0,0,0,0|1,0,0]=3 24131 B14R1.443 OCCCCSc1cc(cc(c1)Br)Cl 62a_100009814755_100000210776 [0,2,0,0,0,0|1,0,0]=3 24132 B14R1.443 OCCCCSc1cc(cc(c1)Br)F 62a_100000210776_100009814764 [0,2,0,0,0,0|1,0,0]=3 24133 B14R1.443 OCCCCSc1cc(cc(c1)Br)F 62a_100009814764_100000210776 [0,2,0,0,0,0|1,0,0]=3 24134 B14R1.443 OCCCCSc1cc(cc(c1)Br)O 62a_100000210776_100010068917 [0,2,0,0,0,0|1,0,0]=3 24135 B14R1.443 OCCCCSc1cc(cc(c1)Br)O 62a_100010068917_100000210776 [0,2,0,0,0,0|1,0,0]=3 24136 B14R1.443 OCCCCSc1cc(cc(c1)Cl)Cl 62a_100000210776_100000747138 [0,2,0,0,0,0|1,0,0]=3 24137 B14R1.443 OCCCCSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000210776 [0,2,0,0,0,0|1,0,0]=3 24138 B14R1.443 OCCCCSc1cc(cc(c1)Cl)F 62a_100000210776_100013859453 [0,2,0,0,0,0|1,0,0]=3 24139 B14R1.443 OCCCCSc1cc(cc(c1)Cl)F 62a_100013859453_100000210776 [0,2,0,0,0,0|1,0,0]=3 24140 B14R1.443 OCCCCSc1cc(cc(c1)Cl)O 62a_100000210776_100010068924 [0,2,0,0,0,0|1,0,0]=3 24141 B14R1.443 OCCCCSc1cc(cc(c1)Cl)O 62a_100010068924_100000210776 [0,2,0,0,0,0|1,0,0]=3 24142 B14R1.443 OCCCCSc1cc(cc(c1)F)F 62a_100000210776_100000233788 [0,2,0,0,0,0|1,0,0]=3 24143 B14R1.443 OCCCCSc1cc(cc(c1)F)F 62a_100000233788_100000210776 [0,2,0,0,0,0|1,0,0]=3 24144 B14R1.443 OCCCCSc1cc(cc(c1)F)O 62a_100000210776_100000688818 [0,2,0,0,0,0|1,0,0]=3 24145 B14R1.443 OCCCCSc1cc(cc(c1)F)O 62a_100000688818_100000210776 [0,2,0,0,0,0|1,0,0]=3 24146 B14R1.443 OCCCCSc1cc(cc(c1)O)O 62a_100000210776_100009868816 [0,2,0,0,0,0|1,0,0]=3 24147 B14R1.443 OCCCCSc1cc(nc(c1)Cl)Cl 62a_100000062418_100000210776 [0,2,0,0,0,0|2,0,0]=4 24148 B14R1.443 OCCCCSc1cc(nc(c1)Cl)Cl 62a_100000210776_100000062418 [0,2,0,0,0,0|2,0,0]=4 24149 B14R1.443 OCCCCSc1cc(nc(c1)Cl)F 62a_100000210776_100011069727 [0,2,0,0,0,0|2,0,0]=4 24150 B14R1.443 OCCCCSc1cc(nc(c1)Cl)F 62a_100011069727_100000210776 [0,2,0,0,0,0|2,0,0]=4 24151 B14R1.443 OCCCCSc1cc(nc(c1)F)F 62a_100000049587_100000210776 [0,2,0,0,0,0|2,0,0]=4 24152 B14R1.443 OCCCCSc1cc(nc(c1)F)F 62a_100000210776_100000049587 [0,2,0,0,0,0|2,0,0]=4 24153 B14R1.443 OCCCNCc1cc(cc(c1)Br)Br 207a_100000182051_100000719502 [0,2,0,0,0,0|1,0,0]=3 24154 B14R1.443 OCCCNCc1cc(cc(c1)Br)Br 2230a_100015211796_100000230001 [0,2,0,0,0,0|1,0,0]=3 24155 B14R1.443 OCCCNCc1cc(cc(c1)Br)Br 269862a_100000182051_100000719502 [0,2,0,0,0,0|1,0,0]=3 24156 B14R1.443 OCCCNCc1cc(cc(c1)Br)Br 270004a_100000182051_100000719502 [0,2,0,0,0,0|1,0,0]=3 24157 B14R1.443 OCCCNCc1cc(cc(c1)Br)Br 34a_100015211796_100000230001 [0,2,0,0,0,0|1,0,0]=3 24158 B14R1.443 OCCCNCc1cc(cc(c1)Br)Cl 207a_100000182051_100011934515 [0,2,0,0,0,0|1,0,0]=3 24159 B14R1.443 OCCCNCc1cc(cc(c1)Br)Cl 269862a_100000182051_100011934515 [0,2,0,0,0,0|1,0,0]=3 24160 B14R1.443 OCCCNCc1cc(cc(c1)Br)Cl 270004a_100000182051_100011934515 [0,2,0,0,0,0|1,0,0]=3 24161 B14R1.443 OCCCNCc1cc(cc(c1)Br)F 207a_100000182051_100011794424 [0,2,0,0,0,0|1,0,0]=3 24162 B14R1.443 OCCCNCc1cc(cc(c1)Br)F 2230a_100020611034_100000230001 [0,2,0,0,0,0|1,0,0]=3 24163 B14R1.443 OCCCNCc1cc(cc(c1)Br)F 269862a_100000182051_100011794424 [0,2,0,0,0,0|1,0,0]=3 24164 B14R1.443 OCCCNCc1cc(cc(c1)Br)F 270004a_100000182051_100011794424 [0,2,0,0,0,0|1,0,0]=3 24165 B14R1.443 OCCCNCc1cc(cc(c1)Br)F 34a_100020611034_100000230001 [0,2,0,0,0,0|1,0,0]=3 24166 B14R1.443 OCCCNCc1cc(cc(c1)Br)O 207a_100000182051_100010176088 [0,2,0,0,0,0|1,0,0]=3 24167 B14R1.443 OCCCNCc1cc(cc(c1)Br)O 270004a_100000182051_100010176088 [0,2,0,0,0,0|1,0,0]=3 24168 B14R1.443 OCCCNCc1cc(cc(c1)Cl)Cl 207a_100000182051_100000741761 [0,2,0,0,0,0|1,0,0]=3 24169 B14R1.443 OCCCNCc1cc(cc(c1)Cl)Cl 2230a_100011211636_100000230001 [0,2,0,0,0,0|1,0,0]=3 24170 B14R1.443 OCCCNCc1cc(cc(c1)Cl)Cl 270004a_100000182051_100000741761 [0,2,0,0,0,0|1,0,0]=3 24171 B14R1.443 OCCCNCc1cc(cc(c1)Cl)Cl 34a_100011211636_100000230001 [0,2,0,0,0,0|1,0,0]=3 24172 B14R1.443 OCCCNCc1cc(cc(c1)Cl)F 207a_100000182051_100000703917 [0,2,0,0,0,0|1,0,0]=3 24173 B14R1.443 OCCCNCc1cc(cc(c1)Cl)F 2230a_100137329012_100000230001 [0,2,0,0,0,0|1,0,0]=3 24174 B14R1.443 OCCCNCc1cc(cc(c1)Cl)F 269862a_100000182051_100000703917 [0,2,0,0,0,0|1,0,0]=3 24175 B14R1.443 OCCCNCc1cc(cc(c1)Cl)F 270004a_100000182051_100000703917 [0,2,0,0,0,0|1,0,0]=3 24176 B14R1.443 OCCCNCc1cc(cc(c1)Cl)F 34a_100137329012_100000230001 [0,2,0,0,0,0|1,0,0]=3 24177 B14R1.443 OCCCNCc1cc(cc(c1)Cl)O 207a_100000182051_100000050827 [0,2,0,0,0,0|1,0,0]=3 24178 B14R1.443 OCCCNCc1cc(cc(c1)Cl)O 2230a_107254831445_100000230001 [0,2,0,0,0,0|1,0,0]=3 24179 B14R1.443 OCCCNCc1cc(cc(c1)Cl)O 270004a_100000182051_100000050827 [0,2,0,0,0,0|1,0,0]=3 24180 B14R1.443 OCCCNCc1cc(cc(c1)Cl)O 34a_107254831445_100000230001 [0,2,0,0,0,0|1,0,0]=3 24181 B14R1.443 OCCCNCc1cc(cc(c1)F)F 207a_100000182051_100000743029 [0,2,0,0,0,0|1,0,0]=3 24182 B14R1.443 OCCCNCc1cc(cc(c1)F)F 2230a_100000737602_100000230001 [0,2,0,0,0,0|1,0,0]=3 24183 B14R1.443 OCCCNCc1cc(cc(c1)F)F 269862a_100000182051_100000743029 [0,2,0,0,0,0|1,0,0]=3 24184 B14R1.443 OCCCNCc1cc(cc(c1)F)F 270004a_100000182051_100000743029 [0,2,0,0,0,0|1,0,0]=3 24185 B14R1.443 OCCCNCc1cc(cc(c1)F)F 34a_100000737602_100000230001 [0,2,0,0,0,0|1,0,0]=3 24186 B14R1.443 OCCCNCc1cc(cc(c1)F)O 207a_100000182051_100000703664 [0,2,0,0,0,0|1,0,0]=3 24187 B14R1.443 OCCCNCc1cc(cc(c1)F)O 2230a_100160469513_100000230001 [0,2,0,0,0,0|1,0,0]=3 24188 B14R1.443 OCCCNCc1cc(cc(c1)F)O 270004a_100000182051_100000703664 [0,2,0,0,0,0|1,0,0]=3 24189 B14R1.443 OCCCNCc1cc(cc(c1)F)O 34a_100160469513_100000230001 [0,2,0,0,0,0|1,0,0]=3 24190 B14R1.443 OCCCNCc1cc(cc(c1)I)Br 207a_100000182051_100010185649 [0,2,0,0,0,0|1,0,0]=3 24191 B14R1.443 OCCCNCc1cc(cc(c1)I)Br 269862a_100000182051_100010185649 [0,2,0,0,0,0|1,0,0]=3 24192 B14R1.443 OCCCNCc1cc(cc(c1)I)Br 270004a_100000182051_100010185649 [0,2,0,0,0,0|1,0,0]=3 24193 B14R1.443 OCCCNCc1cc(cc(c1)I)F 207a_100000182051_100010185655 [0,2,0,0,0,0|1,0,0]=3 24194 B14R1.443 OCCCNCc1cc(cc(c1)I)F 269862a_100000182051_100010185655 [0,2,0,0,0,0|1,0,0]=3 24195 B14R1.443 OCCCNCc1cc(cc(c1)I)F 270004a_100000182051_100010185655 [0,2,0,0,0,0|1,0,0]=3 24196 B14R1.443 OCCCNCc1cc(cc(c1)I)I 207a_100000182051_100010185653 [0,2,0,0,0,0|1,0,0]=3 24197 B14R1.443 OCCCNCc1cc(cc(c1)I)I 269862a_100000182051_100010185653 [0,2,0,0,0,0|1,0,0]=3 24198 B14R1.443 OCCCNCc1cc(cc(c1)O)O 207a_100000182051_100000043415 [0,2,0,0,0,0|1,0,0]=3 24199 B14R1.443 OCCCNCc1cc(cc(c1)O)O 2230a_100159270720_100000230001 [0,2,0,0,0,0|1,0,0]=3 24200 B14R1.443 OCCCNCc1cc(cc(c1)O)O 34a_100159270720_100000230001 [0,2,0,0,0,0|1,0,0]=3 24201 B14R1.443 OCCCNCc1cc(cc(n1)Cl)Cl 270004a_100000182051_200009876806 [0,2,0,0,0,0|2,0,0]=4 24202 B14R1.443 OCCCNCc1cc(nc(c1)Cl)Cl 2230a_103437231814_100000230001 [0,2,0,0,0,0|2,0,0]=4 24203 B14R1.443 OCCCNCc1cc(nc(c1)Cl)Cl 270004a_100000182051_100000043607 [0,2,0,0,0,0|2,0,0]=4 24204 B14R1.443 OCCCOCc1cc(cc(c1)Br)Br 34a_100011218366_100000230001 [0,2,0,0,0,0|1,0,0]=3 24205 B14R1.443 OCCCOCc1cc(cc(c1)Br)Br 7a_100011218366_100011215043 [0,2,0,0,0,0|1,0,0]=3 24206 B14R1.443 OCCCOCc1cc(cc(c1)Br)Cl 34a_100012353933_100000230001 [0,2,0,0,0,0|1,0,0]=3 24207 B14R1.443 OCCCOCc1cc(cc(c1)Br)Cl 7a_100012353933_100011215043 [0,2,0,0,0,0|1,0,0]=3 24208 B14R1.443 OCCCOCc1cc(cc(c1)Br)F 34a_100000766897_100000230001 [0,2,0,0,0,0|1,0,0]=3 24209 B14R1.443 OCCCOCc1cc(cc(c1)Br)F 7a_100000766897_100011215043 [0,2,0,0,0,0|1,0,0]=3 24210 B14R1.443 OCCCOCc1cc(cc(c1)Cl)Cl 34a_100011218629_100000230001 [0,2,0,0,0,0|1,0,0]=3 24211 B14R1.443 OCCCOCc1cc(cc(c1)Cl)Cl 7a_100011218629_100011215043 [0,2,0,0,0,0|1,0,0]=3 24212 B14R1.443 OCCCOCc1cc(cc(c1)Cl)F 34a_100011217560_100000230001 [0,2,0,0,0,0|1,0,0]=3 24213 B14R1.443 OCCCOCc1cc(cc(c1)Cl)F 7a_100011217560_100011215043 [0,2,0,0,0,0|1,0,0]=3 24214 B14R1.443 OCCCOCc1cc(cc(c1)F)F 34a_100011215443_100000230001 [0,2,0,0,0,0|1,0,0]=3 24215 B14R1.443 OCCCOCc1cc(cc(c1)F)F 7a_100011215443_100011215043 [0,2,0,0,0,0|1,0,0]=3 24216 B14R1.443 OCCCOCc1cc(cc(c1)I)Br 7a_100009814756_100011215043 [0,2,0,0,0,0|1,0,0]=3 24217 B14R1.443 OCCCOCc1cc(cc(c1)I)F 34a_100010149598_100000230001 [0,2,0,0,0,0|1,0,0]=3 24218 B14R1.443 OCCCOCc1cc(cc(c1)I)F 7a_100010149598_100011215043 [0,2,0,0,0,0|1,0,0]=3 24219 B14R1.443 OCCCOCc1cc(cc(c1)I)I 7a_100010205817_100011215043 [0,2,0,0,0,0|1,0,0]=3 24220 B14R1.443 OCCCOCc1cc(nc(c1)Br)Br 7a_100010209938_100011215043 [0,2,0,0,0,0|2,0,0]=4 24221 B14R1.443 OCCCOCc1cc(nc(c1)Cl)Cl 34a_100000041643_100000230001 [0,2,0,0,0,0|2,0,0]=4 24222 B14R1.443 OCCCOCc1cc(nc(c1)Cl)Cl 7a_100000041643_100011215043 [0,2,0,0,0,0|2,0,0]=4 24223 B14R1.443 OCCCSCc1cc(cc(c1)Br)Br 62a_100011215043_100011216082 [0,2,0,0,0,0|1,0,0]=3 24224 B14R1.443 OCCCSCc1cc(cc(c1)Br)Br 62a_100011216082_100011215043 [0,2,0,0,0,0|1,0,0]=3 24225 B14R1.443 OCCCSCc1cc(cc(c1)Br)F 62a_100000766940_100011215043 [0,2,0,0,0,0|1,0,0]=3 24226 B14R1.443 OCCCSCc1cc(cc(c1)Br)F 62a_100011215043_100000766940 [0,2,0,0,0,0|1,0,0]=3 24227 B14R1.443 OCCCSCc1cc(cc(c1)Cl)Cl 62a_100011215043_100011219208 [0,2,0,0,0,0|1,0,0]=3 24228 B14R1.443 OCCCSCc1cc(cc(c1)Cl)Cl 62a_100011219208_100011215043 [0,2,0,0,0,0|1,0,0]=3 24229 B14R1.443 OCCCSCc1cc(cc(c1)Cl)F 62a_100011215043_100011219885 [0,2,0,0,0,0|1,0,0]=3 24230 B14R1.443 OCCCSCc1cc(cc(c1)Cl)F 62a_100011219885_100011215043 [0,2,0,0,0,0|1,0,0]=3 24231 B14R1.443 OCCCSCc1cc(cc(c1)F)F 62a_100000697002_100011215043 [0,2,0,0,0,0|1,0,0]=3 24232 B14R1.443 OCCCSCc1cc(cc(c1)F)F 62a_100011215043_100000697002 [0,2,0,0,0,0|1,0,0]=3 24233 B14R1.443 OCCCSCc1cc(cc(c1)I)Br 62a_100010146614_100011215043 [0,2,0,0,0,0|1,0,0]=3 24234 B14R1.443 OCCCSCc1cc(cc(c1)I)Br 62a_100011215043_100010146614 [0,2,0,0,0,0|1,0,0]=3 24235 B14R1.443 OCCCSCc1cc(cc(c1)I)F 62a_100010149605_100011215043 [0,2,0,0,0,0|1,0,0]=3 24236 B14R1.443 OCCCSCc1cc(cc(c1)I)F 62a_100011215043_100010149605 [0,2,0,0,0,0|1,0,0]=3 24237 B14R1.443 OCCCSCc1cc(nc(c1)Cl)Cl 62a_100000052781_100011215043 [0,2,0,0,0,0|2,0,0]=4 24238 B14R1.443 OCCCSCc1cc(nc(c1)Cl)Cl 62a_100011215043_100000052781 [0,2,0,0,0,0|2,0,0]=4 24239 B14R1.443 OCCNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_100000211926 [0,2,0,0,0,0|1,0,0]=3 24240 B14R1.443 OCCNCCc1cc(cc(c1)Cl)Cl 2230a_100016997473_100000691793 [0,2,0,0,0,0|1,0,0]=3 24241 B14R1.443 OCCNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_100000211926 [0,2,0,0,0,0|1,0,0]=3 24242 B14R1.443 OCCNCCc1cc(cc(c1)Cl)Cl 34a_100016990907_100000691793 [0,2,0,0,0,0|1,0,0]=3 24243 B14R1.443 OCCNCCc1cc(cc(c1)F)F 2230a_100000748410_100000211926 [0,2,0,0,0,0|1,0,0]=3 24244 B14R1.443 OCCNCCc1cc(cc(c1)F)F 2230a_100016997473_100011754442 [0,2,0,0,0,0|1,0,0]=3 24245 B14R1.443 OCCNCCc1cc(cc(c1)F)F 34a_100000748410_100000211926 [0,2,0,0,0,0|1,0,0]=3 24246 B14R1.443 OCCNCCc1cc(cc(c1)F)F 34a_100016990907_100011754442 [0,2,0,0,0,0|1,0,0]=3 24247 B14R1.443 OCCOCCc1cc(cc(c1)Br)Br 34a_100010243668_100000211926 [0,2,0,0,0,0|1,0,0]=3 24248 B14R1.443 OCCOCCc1cc(cc(c1)Br)Br 7a_100010243668_100000211926 [0,2,0,0,0,0|1,0,0]=3 24249 B14R1.443 OCCOCCc1cc(cc(c1)Br)F 34a_100012630564_100000211926 [0,2,0,0,0,0|1,0,0]=3 24250 B14R1.443 OCCOCCc1cc(cc(c1)Br)F 7a_100012630564_100000211926 [0,2,0,0,0,0|1,0,0]=3 24251 B14R1.443 OCCOCCc1cc(cc(c1)Cl)Cl 34a_100000720051_100000211926 [0,2,0,0,0,0|1,0,0]=3 24252 B14R1.443 OCCOCCc1cc(cc(c1)Cl)Cl 7a_100000720051_100000211926 [0,2,0,0,0,0|1,0,0]=3 24253 B14R1.443 OCCOCCc1cc(cc(c1)F)F 34a_100011754358_100000211926 [0,2,0,0,0,0|1,0,0]=3 24254 B14R1.443 OCCOCCc1cc(cc(c1)F)F 7a_100011754358_100000211926 [0,2,0,0,0,0|1,0,0]=3 24255 B14R1.443 OCCSCCc1cc(cc(c1)Cl)Cl 62a_100000211926_100000691793 [0,2,0,0,0,0|1,0,0]=3 24256 B14R1.443 OCCSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_100000211926 [0,2,0,0,0,0|1,0,0]=3 24257 B14R1.443 OCCSCCc1cc(cc(c1)F)F 62a_100000211926_100011754442 [0,2,0,0,0,0|1,0,0]=3 24258 B14R1.443 OCCSCCc1cc(cc(c1)F)F 62a_100011754442_100000211926 [0,2,0,0,0,0|1,0,0]=3 24259 B14R1.443 Oc1cc(cc(c1)CNCCCF)Br 207a_100015189416_100010176088 [0,2,0,0,0,0|2,0,0]=4 24260 B14R1.443 Oc1cc(cc(c1)CNCCCF)Br 270004a_100015189416_100010176088 [0,2,0,0,0,0|2,0,0]=4 24261 B14R1.443 Oc1cc(cc(c1)CNCCCF)Cl 207a_100015189416_100000050827 [0,2,0,0,0,0|2,0,0]=4 24262 B14R1.443 Oc1cc(cc(c1)CNCCCF)Cl 2230a_107254831445_100011934791 [0,2,0,0,0,0|2,0,0]=4 24263 B14R1.443 Oc1cc(cc(c1)CNCCCF)Cl 270004a_100015189416_100000050827 [0,2,0,0,0,0|2,0,0]=4 24264 B14R1.443 Oc1cc(cc(c1)CNCCCF)Cl 34a_107254831445_100011934791 [0,2,0,0,0,0|2,0,0]=4 24265 B14R1.443 Oc1cc(cc(c1)CNCCCF)F 207a_100015189416_100000703664 [0,2,0,0,0,0|2,0,0]=4 24266 B14R1.443 Oc1cc(cc(c1)CNCCCF)F 2230a_100160469513_100011934791 [0,2,0,0,0,0|2,0,0]=4 24267 B14R1.443 Oc1cc(cc(c1)CNCCCF)F 270004a_100015189416_100000703664 [0,2,0,0,0,0|2,0,0]=4 24268 B14R1.443 Oc1cc(cc(c1)CNCCCF)F 34a_100160469513_100011934791 [0,2,0,0,0,0|2,0,0]=4 24269 B14R1.443 Oc1cc(cc(c1)CNCCCF)O 207a_100015189416_100000043415 [0,2,0,0,0,0|2,0,0]=4 24270 B14R1.443 Oc1cc(cc(c1)CNCCCF)O 2230a_100159270720_100011934791 [0,2,0,0,0,0|2,0,0]=4 24271 B14R1.443 Oc1cc(cc(c1)CNCCCF)O 34a_100159270720_100011934791 [0,2,0,0,0,0|2,0,0]=4 24272 B14R1.443 Oc1cc(cc(c1)NCCCCF)Cl 34a_100000123917_100000729493 [0,2,0,0,0,0|2,0,0]=4 24273 B14R1.443 Oc1cc(cc(c1)NCCCCF)Cl 7a_100000123917_100000729493 [0,2,0,0,0,0|2,0,0]=4 24274 B14R1.443 Oc1cc(cc(c1)NCCCCF)O 34a_100000043371_100000729493 [0,2,0,0,0,0|2,0,0]=4 24275 B14R1.443 Oc1cc(cc(c1)SCCCCF)Br 62a_100000729493_100010068917 [0,2,0,0,0,0|2,0,0]=4 24276 B14R1.443 Oc1cc(cc(c1)SCCCCF)Br 62a_100010068917_100000729493 [0,2,0,0,0,0|2,0,0]=4 24277 B14R1.443 Oc1cc(cc(c1)SCCCCF)Cl 62a_100000729493_100010068924 [0,2,0,0,0,0|2,0,0]=4 24278 B14R1.443 Oc1cc(cc(c1)SCCCCF)Cl 62a_100010068924_100000729493 [0,2,0,0,0,0|2,0,0]=4 24279 B14R1.443 Oc1cc(cc(c1)SCCCCF)F 62a_100000688818_100000729493 [0,2,0,0,0,0|2,0,0]=4 24280 B14R1.443 Oc1cc(cc(c1)SCCCCF)F 62a_100000729493_100000688818 [0,2,0,0,0,0|2,0,0]=4 24281 B14R1.443 Oc1cc(cc(c1)SCCCCF)O 62a_100000729493_100009868816 [0,2,0,0,0,0|2,0,0]=4 24282 B14R1.1025 CC(CF)OCCc1cccc(c1)Br 34a_100016041109_100011740638 [0,2,0,0,0,0|2,0,0]=4 24283 B14R1.1025 CC(CF)OCCc1cccc(c1)Br 7a_100016041109_100011740638 [0,2,0,0,0,0|2,0,0]=4 24284 B14R1.1025 CC(CF)OCCc1cccc(c1)Cl 34a_100016041109_100011713710 [0,2,0,0,0,0|2,0,0]=4 24285 B14R1.1025 CC(CF)OCCc1cccc(c1)Cl 7a_100016041109_100011713710 [0,2,0,0,0,0|2,0,0]=4 24286 B14R1.1025 CC(CF)OCCc1cccc(c1)F 34a_100016041109_100011217235 [0,2,0,0,0,0|2,0,0]=4 24287 B14R1.1025 CC(CF)OCCc1cccc(c1)F 7a_100016041109_100011217235 [0,2,0,0,0,0|2,0,0]=4 24288 B14R1.1025 CC(CN)COCc1cccc(c1)Br 34a_100000744482_100000698116 [0,2,0,0,0,0|2,0,0]=4 24289 B14R1.1025 CC(CN)COCc1cccc(c1)Cl 34a_100000744482_100000187163 [0,2,0,0,0,0|2,0,0]=4 24290 B14R1.1025 CC(CN)COCc1cccc(c1)F 34a_100000744482_100000187166 [0,2,0,0,0,0|2,0,0]=4 24291 B14R1.1025 CC(CN)COCc1cccc(c1)I 34a_100000744482_100011218688 [0,2,0,0,0,0|2,0,0]=4 24292 B14R1.1025 CC(CN)COCc1cccc(c1)O 34a_100000744482_100011660834 [0,2,0,0,0,0|2,0,0]=4 24293 B14R1.1025 CC(CN)OCCc1cccc(c1)Br 34a_100000210904_100011740638 [0,2,0,0,0,0|2,0,0]=4 24294 B14R1.1025 CC(CN)OCCc1cccc(c1)Cl 34a_100000210904_100011713710 [0,2,0,0,0,0|2,0,0]=4 24295 B14R1.1025 CC(CN)OCCc1cccc(c1)F 34a_100000210904_100011217235 [0,2,0,0,0,0|2,0,0]=4 24296 B14R1.1025 CC(CO)CCNc1cc(ccn1)F 27a_106354213184_100000764206 [0,2,0,0,0,0|2,0,0]=4 24297 B14R1.1025 CC(CO)CCNc1cc[nH]c(=O)c1 27a_106354213184_100000061649 [0,2,0,0,0,0|2,0,0]=4 24298 B14R1.1025 CC(CO)CCNc1cccc(n1)F 27a_106354213184_100009815982 [0,2,0,0,0,0|2,0,0]=4 24299 B14R1.1025 CC(CO)CCNc1ccnc(c1)F 27a_106354213184_100009816116 [0,2,0,0,0,0|2,0,0]=4 24300 B14R1.1025 CC(CO)CNCc1cc(ccn1)Br 34a_100000744482_100010173614 [0,2,0,0,0,0|2,0,0]=4 24301 B14R1.1025 CC(CO)CNCc1cc(ccn1)Cl 34a_100000744482_100016988179 [0,2,0,0,0,0|2,0,0]=4 24302 B14R1.1025 CC(CO)CNCc1cccc(=O)[nH]1 207a_100000744482_100011935257 [0,2,0,0,0,0|2,0,0]=4 24303 B14R1.1025 CC(CO)CNCc1cccc(c1)Br 207a_100000744482_100000210085 [0,2,0,0,0,0|1,0,0]=3 24304 B14R1.1025 CC(CO)CNCc1cccc(c1)Br 34a_100000744482_100000698116 [0,2,0,0,0,0|1,0,0]=3 24305 B14R1.1025 CC(CO)CNCc1cccc(c1)Cl 207a_100000744482_100000210801 [0,2,0,0,0,0|1,0,0]=3 24306 B14R1.1025 CC(CO)CNCc1cccc(c1)Cl 34a_100000744482_100000187163 [0,2,0,0,0,0|1,0,0]=3 24307 B14R1.1025 CC(CO)CNCc1cccc(c1)F 207a_100000744482_100000210812 [0,2,0,0,0,0|1,0,0]=3 24308 B14R1.1025 CC(CO)CNCc1cccc(c1)F 34a_100000744482_100000187166 [0,2,0,0,0,0|1,0,0]=3 24309 B14R1.1025 CC(CO)CNCc1cccc(c1)I 207a_100000744482_100000014684 [0,2,0,0,0,0|1,0,0]=3 24310 B14R1.1025 CC(CO)CNCc1cccc(c1)I 34a_100000744482_100011218688 [0,2,0,0,0,0|1,0,0]=3 24311 B14R1.1025 CC(CO)CNCc1cccc(c1)O 207a_100000744482_100000188321 [0,2,0,0,0,0|1,0,0]=3 24312 B14R1.1025 CC(CO)CNCc1cccc(c1)O 34a_100000744482_100011660834 [0,2,0,0,0,0|1,0,0]=3 24313 B14R1.1025 CC(CO)CNCc1cccc(n1)Br 34a_100000744482_100009889011 [0,2,0,0,0,0|2,0,0]=4 24314 B14R1.1025 CC(CO)CNCc1cccc(n1)Cl 34a_100000744482_100000086093 [0,2,0,0,0,0|2,0,0]=4 24315 B14R1.1025 CC(CO)CNCc1cccc(n1)F 34a_100000744482_100009819644 [0,2,0,0,0,0|2,0,0]=4 24316 B14R1.1025 CC(CO)CNCc1ccnc(c1)Br 34a_100000744482_100010243470 [0,2,0,0,0,0|2,0,0]=4 24317 B14R1.1025 CC(CO)CNCc1ccnc(c1)Cl 34a_100000744482_100000764220 [0,2,0,0,0,0|2,0,0]=4 24318 B14R1.1025 CC(CO)CNCc1ccnc(c1)O 207a_100000744482_100000688113 [0,2,0,0,0,0|2,0,0]=4 24319 B14R1.1025 CC(CO)CNCc1cncc(c1)Br 207a_100000744482_100000687066 [0,2,0,0,0,0|2,0,0]=4 24320 B14R1.1025 CC(CO)CNCc1cncc(c1)Br 34a_100000744482_100000738771 [0,2,0,0,0,0|2,0,0]=4 24321 B14R1.1025 CC(CO)CNCc1cncc(c1)Cl 207a_100000744482_100000088910 [0,2,0,0,0,0|2,0,0]=4 24322 B14R1.1025 CC(CO)CNCc1cncc(c1)Cl 34a_100000744482_100016992070 [0,2,0,0,0,0|2,0,0]=4 24323 B14R1.1025 CC(CO)CNCc1cncc(c1)F 207a_100000744482_100011361476 [0,2,0,0,0,0|2,0,0]=4 24324 B14R1.1025 CC(CO)CNCc1cncc(c1)F 34a_100000744482_100000725299 [0,2,0,0,0,0|2,0,0]=4 24325 B14R1.1025 CC(CO)CNCc1cncc(c1)O 207a_100000744482_100012187055 [0,2,0,0,0,0|2,0,0]=4 24326 B14R1.1025 CC(CO)NCCc1cccc(c1)Br 2230a_100011207229_100012180447 [0,2,0,0,0,0|1,0,0]=3 24327 B14R1.1025 CC(CO)NCCc1cccc(c1)Br 34a_100011207229_100012180447 [0,2,0,0,0,0|1,0,0]=3 24328 B14R1.1025 CC(CO)NCCc1cccc(c1)Cl 2230a_100000185263_100012180447 [0,2,0,0,0,0|1,0,0]=3 24329 B14R1.1025 CC(CO)NCCc1cccc(c1)Cl 34a_100000185263_100012180447 [0,2,0,0,0,0|1,0,0]=3 24330 B14R1.1025 CC(CO)NCCc1cccc(c1)F 2230a_100000205154_100012180447 [0,2,0,0,0,0|1,0,0]=3 24331 B14R1.1025 CC(CO)NCCc1cccc(c1)F 34a_100000205154_100012180447 [0,2,0,0,0,0|1,0,0]=3 24332 B14R1.1025 CC(CO)NCCc1cccc(c1)O 2230a_100000747277_100012180447 [0,2,0,0,0,0|1,0,0]=3 24333 B14R1.1025 CC(CO)NCCc1cccc(c1)O 34a_100000747277_100012180447 [0,2,0,0,0,0|1,0,0]=3 24334 B14R1.1025 CC(CO)OCCc1cccc(c1)Br 34a_100011217444_100012180447 [0,2,0,0,0,0|1,0,0]=3 24335 B14R1.1025 CC(CO)OCCc1cccc(c1)Br 7a_100011217444_100012180447 [0,2,0,0,0,0|1,0,0]=3 24336 B14R1.1025 CC(CO)OCCc1cccc(c1)Cl 34a_100000754733_100012180447 [0,2,0,0,0,0|1,0,0]=3 24337 B14R1.1025 CC(CO)OCCc1cccc(c1)Cl 7a_100000754733_100012180447 [0,2,0,0,0,0|1,0,0]=3 24338 B14R1.1025 CC(CO)OCCc1cccc(c1)F 34a_100000763591_100012180447 [0,2,0,0,0,0|1,0,0]=3 24339 B14R1.1025 CC(CO)OCCc1cccc(c1)F 7a_100000763591_100012180447 [0,2,0,0,0,0|1,0,0]=3 24340 B14R1.1025 CC(CO)OCCc1cccc(c1)N 34a_100011996697_100012180447 [0,2,0,0,0,0|1,0,0]=3 24341 B14R1.1025 CC(CO)OCCc1cccc(n1)Br 34a_100010221043_100012180447 [0,2,0,0,0,0|2,0,0]=4 24342 B14R1.1025 CC(CO)OCCc1cccc(n1)Br 7a_100010221043_100012180447 [0,2,0,0,0,0|2,0,0]=4 24343 B14R1.1025 CC(CO)SCCc1cccc(c1)Br 62a_100012180447_100011740638 [0,2,0,0,0,0|1,0,0]=3 24344 B14R1.1025 CC(CO)SCCc1cccc(c1)Cl 62a_100012180447_100011713710 [0,2,0,0,0,0|1,0,0]=3 24345 B14R1.1025 CC(CO)SCCc1cccc(c1)F 62a_100012180447_100011217235 [0,2,0,0,0,0|1,0,0]=3 24346 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000210414_100011713683 [0,2,0,0,0,0|1,0,1]=4 24347 B14R1.1025 CCC(=O)CCCc1cccc(c1)Br 1458a_100000685939_100000210202 [0,2,0,0,0,0|1,0,1]=4 24348 B14R1.1025 CCC(=O)CCCc1cccc(c1)F 1458a_100000210414_200000698031 [0,2,0,0,0,0|1,0,1]=4 24349 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 207a_100020588543_100000210085 [0,2,0,0,0,0|2,0,0]=4 24350 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 2230a_100000174977_100000748023 [0,2,0,0,0,0|2,0,0]=4 24351 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 2230a_100020588543_100000698116 [0,2,0,0,0,0|2,0,0]=4 24352 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 26a_100020588543_100000210342 [0,2,0,0,0,0|2,0,0]=4 24353 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000243153 [0,2,0,0,0,0|2,0,0]=4 24354 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 270004a_100020588543_100000210085 [0,2,0,0,0,0|2,0,0]=4 24355 B14R1.1025 CCC(C)CNCc1cccc(c1)Br 34a_100000174977_100000748023 [0,2,0,0,0,0|2,0,0]=4 24356 B14R1.1025 CCC(C)CNCc1cccc(c1)C 207a_100020588543_100000211157 [0,2,0,0,0,0|2,0,0]=4 24357 B14R1.1025 CCC(C)CNCc1cccc(c1)C 2230a_100000185548_100000748023 [0,2,0,0,0,0|2,0,0]=4 24358 B14R1.1025 CCC(C)CNCc1cccc(c1)C 2230a_100020588543_100000211840 [0,2,0,0,0,0|2,0,0]=4 24359 B14R1.1025 CCC(C)CNCc1cccc(c1)C 270004a_100000185548_100000243153 [0,2,0,0,0,0|2,0,0]=4 24360 B14R1.1025 CCC(C)CNCc1cccc(c1)C 270004a_100020588543_100000211157 [0,2,0,0,0,0|2,0,0]=4 24361 B14R1.1025 CCC(C)CNCc1cccc(c1)C 34a_100000185548_100000748023 [0,2,0,0,0,0|2,0,0]=4 24362 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 207a_100020588543_100000210801 [0,2,0,0,0,0|2,0,0]=4 24363 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100000748023 [0,2,0,0,0,0|2,0,0]=4 24364 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 2230a_100020588543_100000181238 [0,2,0,0,0,0|2,0,0]=4 24365 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000243153 [0,2,0,0,0,0|2,0,0]=4 24366 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 270004a_100020588543_100000210801 [0,2,0,0,0,0|2,0,0]=4 24367 B14R1.1025 CCC(C)CNCc1cccc(c1)Cl 34a_100000174878_100000748023 [0,2,0,0,0,0|2,0,0]=4 24368 B14R1.1025 CCC(C)CNCc1cccc(c1)F 207a_100020588543_100000210812 [0,2,0,0,0,0|2,0,0]=4 24369 B14R1.1025 CCC(C)CNCc1cccc(c1)F 2230a_100000174948_100000748023 [0,2,0,0,0,0|2,0,0]=4 24370 B14R1.1025 CCC(C)CNCc1cccc(c1)F 2230a_100020588543_100000230114 [0,2,0,0,0,0|2,0,0]=4 24371 B14R1.1025 CCC(C)CNCc1cccc(c1)F 270004a_100000174948_100000243153 [0,2,0,0,0,0|2,0,0]=4 24372 B14R1.1025 CCC(C)CNCc1cccc(c1)F 270004a_100020588543_100000210812 [0,2,0,0,0,0|2,0,0]=4 24373 B14R1.1025 CCC(C)CNCc1cccc(c1)F 34a_100000174948_100000748023 [0,2,0,0,0,0|2,0,0]=4 24374 B14R1.1025 CCC(C)CNCc1cccc(c1)I 207a_100020588543_100000014684 [0,2,0,0,0,0|2,0,0]=4 24375 B14R1.1025 CCC(C)CNCc1cccc(c1)I 2230a_100000106179_100000748023 [0,2,0,0,0,0|2,0,0]=4 24376 B14R1.1025 CCC(C)CNCc1cccc(c1)I 2230a_100020588543_100011218688 [0,2,0,0,0,0|2,0,0]=4 24377 B14R1.1025 CCC(C)CNCc1cccc(c1)I 270004a_100000106179_100000243153 [0,2,0,0,0,0|2,0,0]=4 24378 B14R1.1025 CCC(C)CNCc1cccc(c1)I 270004a_100020588543_100000014684 [0,2,0,0,0,0|2,0,0]=4 24379 B14R1.1025 CCC(C)CNCc1cccc(c1)I 34a_100000106179_100000748023 [0,2,0,0,0,0|2,0,0]=4 24380 B14R1.1025 CCC(C)CNCc1cccc(c1)O 207a_100020588543_100000188321 [0,2,0,0,0,0|2,0,0]=4 24381 B14R1.1025 CCC(C)CNCc1cccc(c1)O 2230a_100000743036_100000748023 [0,2,0,0,0,0|2,0,0]=4 24382 B14R1.1025 CCC(C)CNCc1cccc(c1)O 2230a_100020588543_100011660834 [0,2,0,0,0,0|2,0,0]=4 24383 B14R1.1025 CCC(C)CNCc1cccc(c1)O 270004a_100000743036_100000243153 [0,2,0,0,0,0|2,0,0]=4 24384 B14R1.1025 CCC(C)CNCc1cccc(c1)O 270004a_100020588543_100000188321 [0,2,0,0,0,0|2,0,0]=4 24385 B14R1.1025 CCC(C)CNCc1cccc(c1)O 34a_100000743036_100000748023 [0,2,0,0,0,0|2,0,0]=4 24386 B14R1.1025 CCC(C)COCc1cccc(c1)Br 34a_100000687537_100000748023 [0,2,0,0,0,0|2,0,0]=4 24387 B14R1.1025 CCC(C)COCc1cccc(c1)Br 7a_100000687537_100000748023 [0,2,0,0,0,0|2,0,0]=4 24388 B14R1.1025 CCC(C)COCc1cccc(c1)C 34a_100011217746_100000748023 [0,2,0,0,0,0|2,0,0]=4 24389 B14R1.1025 CCC(C)COCc1cccc(c1)C 7a_100011217746_100000748023 [0,2,0,0,0,0|2,0,0]=4 24390 B14R1.1025 CCC(C)COCc1cccc(c1)Cl 34a_100000241301_100000748023 [0,2,0,0,0,0|2,0,0]=4 24391 B14R1.1025 CCC(C)COCc1cccc(c1)Cl 7a_100000241301_100000748023 [0,2,0,0,0,0|2,0,0]=4 24392 B14R1.1025 CCC(C)COCc1cccc(c1)F 34a_100000210976_100000748023 [0,2,0,0,0,0|2,0,0]=4 24393 B14R1.1025 CCC(C)COCc1cccc(c1)F 7a_100000210976_100000748023 [0,2,0,0,0,0|2,0,0]=4 24394 B14R1.1025 CCC(C)COCc1cccc(c1)I 34a_100011215336_100000748023 [0,2,0,0,0,0|2,0,0]=4 24395 B14R1.1025 CCC(C)COCc1cccc(c1)I 7a_100011215336_100000748023 [0,2,0,0,0,0|2,0,0]=4 24396 B14R1.1025 CCC(C)COCc1cccc(c1)N 34a_100000211919_100000748023 [0,2,0,0,0,0|2,0,0]=4 24397 B14R1.1025 CCC(C)CSCc1cccc(c1)Br 62a_100000211773_100000748023 [0,2,0,0,0,0|2,0,0]=4 24398 B14R1.1025 CCC(C)CSCc1cccc(c1)Br 62a_100000748023_100000211773 [0,2,0,0,0,0|2,0,0]=4 24399 B14R1.1025 CCC(C)CSCc1cccc(c1)C 62a_100000211840_100000748023 [0,2,0,0,0,0|2,0,0]=4 24400 B14R1.1025 CCC(C)CSCc1cccc(c1)C 62a_100000748023_100000211840 [0,2,0,0,0,0|2,0,0]=4 24401 B14R1.1025 CCC(C)CSCc1cccc(c1)Cl 62a_100000187163_100000748023 [0,2,0,0,0,0|2,0,0]=4 24402 B14R1.1025 CCC(C)CSCc1cccc(c1)Cl 62a_100000748023_100000187163 [0,2,0,0,0,0|2,0,0]=4 24403 B14R1.1025 CCC(C)CSCc1cccc(c1)F 62a_100000230114_100000748023 [0,2,0,0,0,0|2,0,0]=4 24404 B14R1.1025 CCC(C)CSCc1cccc(c1)F 62a_100000748023_100000230114 [0,2,0,0,0,0|2,0,0]=4 24405 B14R1.1025 CCC(C)CSCc1cccc(c1)I 62a_100000748023_100011218688 [0,2,0,0,0,0|2,0,0]=4 24406 B14R1.1025 CCC(C)CSCc1cccc(c1)I 62a_100011218688_100000748023 [0,2,0,0,0,0|2,0,0]=4 24407 B14R1.1025 CCC(C)CSCc1cccc(c1)O 62a_100000748023_100011660834 [0,2,0,0,0,0|2,0,0]=4 24408 B14R1.1025 CCC(C)CSCc1cccc(c1)O 62a_100011660834_100000748023 [0,2,0,0,0,0|2,0,0]=4 24409 B14R1.1025 CCC(C)NCCc1cccc(c1)Br 2230a_100000209981_100011740638 [0,2,0,0,0,0|2,0,0]=4 24410 B14R1.1025 CCC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000758301 [0,2,0,0,0,0|2,0,0]=4 24411 B14R1.1025 CCC(C)NCCc1cccc(c1)Br 34a_100011207229_100011215416 [0,2,0,0,0,0|2,0,0]=4 24412 B14R1.1025 CCC(C)NCCc1cccc(c1)C 2230a_100000209981_100011713685 [0,2,0,0,0,0|2,0,0]=4 24413 B14R1.1025 CCC(C)NCCc1cccc(c1)C 2230a_100000749837_100000758301 [0,2,0,0,0,0|2,0,0]=4 24414 B14R1.1025 CCC(C)NCCc1cccc(c1)C 34a_100000749837_100011215416 [0,2,0,0,0,0|2,0,0]=4 24415 B14R1.1025 CCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000758301 [0,2,0,0,0,0|2,0,0]=4 24416 B14R1.1025 CCC(C)NCCc1cccc(c1)Cl 2230a_100000209981_100011713710 [0,2,0,0,0,0|2,0,0]=4 24417 B14R1.1025 CCC(C)NCCc1cccc(c1)Cl 34a_100000185263_100011215416 [0,2,0,0,0,0|2,0,0]=4 24418 B14R1.1025 CCC(C)NCCc1cccc(c1)F 2230a_100000205154_100000758301 [0,2,0,0,0,0|2,0,0]=4 24419 B14R1.1025 CCC(C)NCCc1cccc(c1)F 2230a_100000209981_100011217235 [0,2,0,0,0,0|2,0,0]=4 24420 B14R1.1025 CCC(C)NCCc1cccc(c1)F 34a_100000205154_100011215416 [0,2,0,0,0,0|2,0,0]=4 24421 B14R1.1025 CCC(C)NCCc1cccc(c1)O 2230a_100000747277_100000758301 [0,2,0,0,0,0|2,0,0]=4 24422 B14R1.1025 CCC(C)NCCc1cccc(c1)O 34a_100000747277_100011215416 [0,2,0,0,0,0|2,0,0]=4 24423 B14R1.1025 CCC(C)OCCc1cccc(c1)Br 34a_100011217444_100011215416 [0,2,0,0,0,0|2,0,0]=4 24424 B14R1.1025 CCC(C)OCCc1cccc(c1)Br 7a_100000210228_100011740638 [0,2,0,0,0,0|2,0,0]=4 24425 B14R1.1025 CCC(C)OCCc1cccc(c1)Br 7a_100011217444_100000758301 [0,2,0,0,0,0|2,0,0]=4 24426 B14R1.1025 CCC(C)OCCc1cccc(c1)C 34a_100011217157_100011215416 [0,2,0,0,0,0|2,0,0]=4 24427 B14R1.1025 CCC(C)OCCc1cccc(c1)C 7a_100000210228_100011713685 [0,2,0,0,0,0|2,0,0]=4 24428 B14R1.1025 CCC(C)OCCc1cccc(c1)C 7a_100011217157_100000758301 [0,2,0,0,0,0|2,0,0]=4 24429 B14R1.1025 CCC(C)OCCc1cccc(c1)Cl 34a_100000754733_100011215416 [0,2,0,0,0,0|2,0,0]=4 24430 B14R1.1025 CCC(C)OCCc1cccc(c1)Cl 7a_100000210228_100011713710 [0,2,0,0,0,0|2,0,0]=4 24431 B14R1.1025 CCC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000758301 [0,2,0,0,0,0|2,0,0]=4 24432 B14R1.1025 CCC(C)OCCc1cccc(c1)F 34a_100000763591_100011215416 [0,2,0,0,0,0|2,0,0]=4 24433 B14R1.1025 CCC(C)OCCc1cccc(c1)F 7a_100000210228_100011217235 [0,2,0,0,0,0|2,0,0]=4 24434 B14R1.1025 CCC(C)OCCc1cccc(c1)F 7a_100000763591_100000758301 [0,2,0,0,0,0|2,0,0]=4 24435 B14R1.1025 CCC(C)OCCc1cccc(c1)N 34a_100011996697_100011215416 [0,2,0,0,0,0|2,0,0]=4 24436 B14R1.1025 CCC(C)SCCc1cccc(c1)Br 62a_100000758301_100011740638 [0,2,0,0,0,0|2,0,0]=4 24437 B14R1.1025 CCC(C)SCCc1cccc(c1)Br 62a_100011740638_100000758301 [0,2,0,0,0,0|2,0,0]=4 24438 B14R1.1025 CCC(C)SCCc1cccc(c1)C 62a_100000758301_100011713685 [0,2,0,0,0,0|2,0,0]=4 24439 B14R1.1025 CCC(C)SCCc1cccc(c1)C 62a_100011713685_100000758301 [0,2,0,0,0,0|2,0,0]=4 24440 B14R1.1025 CCC(C)SCCc1cccc(c1)Cl 62a_100000758301_100011713710 [0,2,0,0,0,0|2,0,0]=4 24441 B14R1.1025 CCC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000758301 [0,2,0,0,0,0|2,0,0]=4 24442 B14R1.1025 CCC(C)SCCc1cccc(c1)F 62a_100000758301_100011217235 [0,2,0,0,0,0|2,0,0]=4 24443 B14R1.1025 CCC(C)SCCc1cccc(c1)F 62a_100011217235_100000758301 [0,2,0,0,0,0|2,0,0]=4 24444 B14R1.1025 CCC(O)CNCc1cccc(c1)Br 207a_100011218483_100000210085 [0,2,0,0,0,0|2,0,0]=4 24445 B14R1.1025 CCC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011218378 [0,2,0,0,0,0|2,0,0]=4 24446 B14R1.1025 CCC(O)CNCc1cccc(c1)Br 2230a_100011218483_100000698116 [0,2,0,0,0,0|2,0,0]=4 24447 B14R1.1025 CCC(O)CNCc1cccc(c1)Br 270004a_100011218483_100000210085 [0,2,0,0,0,0|2,0,0]=4 24448 B14R1.1025 CCC(O)CNCc1cccc(c1)Br 34a_100000174977_100011218378 [0,2,0,0,0,0|2,0,0]=4 24449 B14R1.1025 CCC(O)CNCc1cccc(c1)C 207a_100011218483_100000211157 [0,2,0,0,0,0|2,0,0]=4 24450 B14R1.1025 CCC(O)CNCc1cccc(c1)C 2230a_100000185548_100011218378 [0,2,0,0,0,0|2,0,0]=4 24451 B14R1.1025 CCC(O)CNCc1cccc(c1)C 2230a_100011218483_100000211840 [0,2,0,0,0,0|2,0,0]=4 24452 B14R1.1025 CCC(O)CNCc1cccc(c1)C 270004a_100011218483_100000211157 [0,2,0,0,0,0|2,0,0]=4 24453 B14R1.1025 CCC(O)CNCc1cccc(c1)C 34a_100000185548_100011218378 [0,2,0,0,0,0|2,0,0]=4 24454 B14R1.1025 CCC(O)CNCc1cccc(c1)Cl 207a_100011218483_100000210801 [0,2,0,0,0,0|2,0,0]=4 24455 B14R1.1025 CCC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011218378 [0,2,0,0,0,0|2,0,0]=4 24456 B14R1.1025 CCC(O)CNCc1cccc(c1)Cl 2230a_100011218483_100000181238 [0,2,0,0,0,0|2,0,0]=4 24457 B14R1.1025 CCC(O)CNCc1cccc(c1)Cl 270004a_100011218483_100000210801 [0,2,0,0,0,0|2,0,0]=4 24458 B14R1.1025 CCC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011218378 [0,2,0,0,0,0|2,0,0]=4 24459 B14R1.1025 CCC(O)CNCc1cccc(c1)F 207a_100011218483_100000210812 [0,2,0,0,0,0|2,0,0]=4 24460 B14R1.1025 CCC(O)CNCc1cccc(c1)F 2230a_100000174948_100011218378 [0,2,0,0,0,0|2,0,0]=4 24461 B14R1.1025 CCC(O)CNCc1cccc(c1)F 2230a_100011218483_100000230114 [0,2,0,0,0,0|2,0,0]=4 24462 B14R1.1025 CCC(O)CNCc1cccc(c1)F 270004a_100011218483_100000210812 [0,2,0,0,0,0|2,0,0]=4 24463 B14R1.1025 CCC(O)CNCc1cccc(c1)F 34a_100000174948_100011218378 [0,2,0,0,0,0|2,0,0]=4 24464 B14R1.1025 CCC(O)CNCc1cccc(c1)I 207a_100011218483_100000014684 [0,2,0,0,0,0|2,0,0]=4 24465 B14R1.1025 CCC(O)CNCc1cccc(c1)I 2230a_100000106179_100011218378 [0,2,0,0,0,0|2,0,0]=4 24466 B14R1.1025 CCC(O)CNCc1cccc(c1)I 2230a_100011218483_100011218688 [0,2,0,0,0,0|2,0,0]=4 24467 B14R1.1025 CCC(O)CNCc1cccc(c1)I 270004a_100011218483_100000014684 [0,2,0,0,0,0|2,0,0]=4 24468 B14R1.1025 CCC(O)CNCc1cccc(c1)I 34a_100000106179_100011218378 [0,2,0,0,0,0|2,0,0]=4 24469 B14R1.1025 CCC(O)CNCc1cccc(c1)O 207a_100011218483_100000188321 [0,2,0,0,0,0|2,0,0]=4 24470 B14R1.1025 CCC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218378 [0,2,0,0,0,0|2,0,0]=4 24471 B14R1.1025 CCC(O)CNCc1cccc(c1)O 2230a_100011218483_100011660834 [0,2,0,0,0,0|2,0,0]=4 24472 B14R1.1025 CCC(O)CNCc1cccc(c1)O 270004a_100011218483_100000188321 [0,2,0,0,0,0|2,0,0]=4 24473 B14R1.1025 CCC(O)CNCc1cccc(c1)O 34a_100000743036_100011218378 [0,2,0,0,0,0|2,0,0]=4 24474 B14R1.1025 CCC(O)COCc1cccc(c1)Br 34a_100000687537_100011218378 [0,2,0,0,0,0|2,0,0]=4 24475 B14R1.1025 CCC(O)COCc1cccc(c1)Br 7a_100000687537_100011218378 [0,2,0,0,0,0|2,0,0]=4 24476 B14R1.1025 CCC(O)COCc1cccc(c1)C 34a_100011217746_100011218378 [0,2,0,0,0,0|2,0,0]=4 24477 B14R1.1025 CCC(O)COCc1cccc(c1)C 7a_100011217746_100011218378 [0,2,0,0,0,0|2,0,0]=4 24478 B14R1.1025 CCC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218378 [0,2,0,0,0,0|2,0,0]=4 24479 B14R1.1025 CCC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218378 [0,2,0,0,0,0|2,0,0]=4 24480 B14R1.1025 CCC(O)COCc1cccc(c1)F 34a_100000210976_100011218378 [0,2,0,0,0,0|2,0,0]=4 24481 B14R1.1025 CCC(O)COCc1cccc(c1)F 7a_100000210976_100011218378 [0,2,0,0,0,0|2,0,0]=4 24482 B14R1.1025 CCC(O)COCc1cccc(c1)I 34a_100011215336_100011218378 [0,2,0,0,0,0|2,0,0]=4 24483 B14R1.1025 CCC(O)COCc1cccc(c1)I 7a_100011215336_100011218378 [0,2,0,0,0,0|2,0,0]=4 24484 B14R1.1025 CCC(O)COCc1cccc(c1)N 34a_100000211919_100011218378 [0,2,0,0,0,0|2,0,0]=4 24485 B14R1.1025 CCC(O)CSCc1cccc(c1)Br 62a_100000211773_100011218378 [0,2,0,0,0,0|2,0,0]=4 24486 B14R1.1025 CCC(O)CSCc1cccc(c1)Br 62a_100011218378_100000211773 [0,2,0,0,0,0|2,0,0]=4 24487 B14R1.1025 CCC(O)CSCc1cccc(c1)C 62a_100000211840_100011218378 [0,2,0,0,0,0|2,0,0]=4 24488 B14R1.1025 CCC(O)CSCc1cccc(c1)C 62a_100011218378_100000211840 [0,2,0,0,0,0|2,0,0]=4 24489 B14R1.1025 CCC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011218378 [0,2,0,0,0,0|2,0,0]=4 24490 B14R1.1025 CCC(O)CSCc1cccc(c1)Cl 62a_100011218378_100000187163 [0,2,0,0,0,0|2,0,0]=4 24491 B14R1.1025 CCC(O)CSCc1cccc(c1)F 62a_100000230114_100011218378 [0,2,0,0,0,0|2,0,0]=4 24492 B14R1.1025 CCC(O)CSCc1cccc(c1)F 62a_100011218378_100000230114 [0,2,0,0,0,0|2,0,0]=4 24493 B14R1.1025 CCC(O)CSCc1cccc(c1)I 62a_100011218378_100011218688 [0,2,0,0,0,0|2,0,0]=4 24494 B14R1.1025 CCC(O)CSCc1cccc(c1)I 62a_100011218688_100011218378 [0,2,0,0,0,0|2,0,0]=4 24495 B14R1.1025 CCC(O)CSCc1cccc(c1)O 62a_100011218378_100011660834 [0,2,0,0,0,0|2,0,0]=4 24496 B14R1.1025 CCC(O)CSCc1cccc(c1)O 62a_100011660834_100011218378 [0,2,0,0,0,0|2,0,0]=4 24497 B14R1.1025 CCN(C)CCCc1cccc(c1)Br 2230a_100000225621_100011713683 [0,2,0,0,0,0|2,0,0]=4 24498 B14R1.1025 CCN(C)CCCc1cccc(c1)Br 269982a_100000225621_100011713683 [0,2,0,0,0,0|2,0,0]=4 24499 B14R1.1025 CCN(C)CCCc1cccc(c1)F 2230a_100000225621_200000698031 [0,2,0,0,0,0|2,0,0]=4 24500 B14R1.1025 CCN(C)CCCc1cccc(c1)F 269982a_100000225621_200000698031 [0,2,0,0,0,0|2,0,0]=4 24501 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Br 2230a_100000174977_100009816398 [0,2,0,0,0,0|2,0,0]=4 24502 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Br 34a_100000174977_100009816398 [0,2,0,0,0,0|2,0,0]=4 24503 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)C 2230a_100000185548_100009816398 [0,2,0,0,0,0|2,0,0]=4 24504 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)C 34a_100000185548_100009816398 [0,2,0,0,0,0|2,0,0]=4 24505 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Cl 2230a_100000174878_100009816398 [0,2,0,0,0,0|2,0,0]=4 24506 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)Cl 34a_100000174878_100009816398 [0,2,0,0,0,0|2,0,0]=4 24507 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)F 2230a_100000174948_100009816398 [0,2,0,0,0,0|2,0,0]=4 24508 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)F 34a_100000174948_100009816398 [0,2,0,0,0,0|2,0,0]=4 24509 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)I 2230a_100000106179_100009816398 [0,2,0,0,0,0|2,0,0]=4 24510 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)I 34a_100000106179_100009816398 [0,2,0,0,0,0|2,0,0]=4 24511 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)O 2230a_100000743036_100009816398 [0,2,0,0,0,0|2,0,0]=4 24512 B14R1.1025 CC[C@H](C)CNCc1cccc(c1)O 34a_100000743036_100009816398 [0,2,0,0,0,0|2,0,0]=4 24513 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Br 34a_100000687537_100009816398 [0,2,0,0,0,0|2,0,0]=4 24514 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Br 7a_100000687537_100009816398 [0,2,0,0,0,0|2,0,0]=4 24515 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Br 7a_100009816381_100000211773 [0,2,0,0,0,0|2,0,0]=4 24516 B14R1.1025 CC[C@H](C)COCc1cccc(c1)C 34a_100011217746_100009816398 [0,2,0,0,0,0|2,0,0]=4 24517 B14R1.1025 CC[C@H](C)COCc1cccc(c1)C 7a_100009816381_100000211840 [0,2,0,0,0,0|2,0,0]=4 24518 B14R1.1025 CC[C@H](C)COCc1cccc(c1)C 7a_100011217746_100009816398 [0,2,0,0,0,0|2,0,0]=4 24519 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Cl 34a_100000241301_100009816398 [0,2,0,0,0,0|2,0,0]=4 24520 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Cl 7a_100000241301_100009816398 [0,2,0,0,0,0|2,0,0]=4 24521 B14R1.1025 CC[C@H](C)COCc1cccc(c1)Cl 7a_100009816381_100000187163 [0,2,0,0,0,0|2,0,0]=4 24522 B14R1.1025 CC[C@H](C)COCc1cccc(c1)F 34a_100000210976_100009816398 [0,2,0,0,0,0|2,0,0]=4 24523 B14R1.1025 CC[C@H](C)COCc1cccc(c1)F 7a_100000210976_100009816398 [0,2,0,0,0,0|2,0,0]=4 24524 B14R1.1025 CC[C@H](C)COCc1cccc(c1)F 7a_100009816381_100000230114 [0,2,0,0,0,0|2,0,0]=4 24525 B14R1.1025 CC[C@H](C)COCc1cccc(c1)I 34a_100011215336_100009816398 [0,2,0,0,0,0|2,0,0]=4 24526 B14R1.1025 CC[C@H](C)COCc1cccc(c1)I 7a_100009816381_100011218688 [0,2,0,0,0,0|2,0,0]=4 24527 B14R1.1025 CC[C@H](C)COCc1cccc(c1)I 7a_100011215336_100009816398 [0,2,0,0,0,0|2,0,0]=4 24528 B14R1.1025 CC[C@H](C)COCc1cccc(c1)N 34a_100000211919_100009816398 [0,2,0,0,0,0|2,0,0]=4 24529 B14R1.1025 CC[C@H](C)COCc1cccc(c1)O 7a_100009816381_100000084143 [0,2,0,0,0,0|2,0,0]=4 24530 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Br 62a_100000211773_100009816398 [0,2,0,0,0,0|2,0,0]=4 24531 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Br 62a_100009816398_100000211773 [0,2,0,0,0,0|2,0,0]=4 24532 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)C 62a_100000211840_100009816398 [0,2,0,0,0,0|2,0,0]=4 24533 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)C 62a_100009816398_100000211840 [0,2,0,0,0,0|2,0,0]=4 24534 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Cl 62a_100000187163_100009816398 [0,2,0,0,0,0|2,0,0]=4 24535 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)Cl 62a_100009816398_100000187163 [0,2,0,0,0,0|2,0,0]=4 24536 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)F 62a_100000230114_100009816398 [0,2,0,0,0,0|2,0,0]=4 24537 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)F 62a_100009816398_100000230114 [0,2,0,0,0,0|2,0,0]=4 24538 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)I 62a_100009816398_100011218688 [0,2,0,0,0,0|2,0,0]=4 24539 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)I 62a_100011218688_100009816398 [0,2,0,0,0,0|2,0,0]=4 24540 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)O 62a_100009816398_100011660834 [0,2,0,0,0,0|2,0,0]=4 24541 B14R1.1025 CC[C@H](C)CSCc1cccc(c1)O 62a_100011660834_100009816398 [0,2,0,0,0,0|2,0,0]=4 24542 B14R1.1025 C[C@@H](CO)CNCc1cccc(=O)[nH]1 2230a_100000696482_100000059175 [0,2,0,0,0,0|2,0,0]=4 24543 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Br 2230a_100000174977_100000059175 [0,2,0,0,0,0|1,0,0]=3 24544 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Br 34a_100000174977_100000059175 [0,2,0,0,0,0|1,0,0]=3 24545 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Cl 2230a_100000174878_100000059175 [0,2,0,0,0,0|1,0,0]=3 24546 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)Cl 34a_100000174878_100000059175 [0,2,0,0,0,0|1,0,0]=3 24547 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)F 2230a_100000174948_100000059175 [0,2,0,0,0,0|1,0,0]=3 24548 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)F 34a_100000174948_100000059175 [0,2,0,0,0,0|1,0,0]=3 24549 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)I 2230a_100000106179_100000059175 [0,2,0,0,0,0|1,0,0]=3 24550 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)I 34a_100000106179_100000059175 [0,2,0,0,0,0|1,0,0]=3 24551 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)O 2230a_100000743036_100000059175 [0,2,0,0,0,0|1,0,0]=3 24552 B14R1.1025 C[C@@H](CO)CNCc1cccc(c1)O 34a_100000743036_100000059175 [0,2,0,0,0,0|1,0,0]=3 24553 B14R1.1025 C[C@@H](CO)CNCc1cccc(n1)Br 2230a_100016987751_100000059175 [0,2,0,0,0,0|2,0,0]=4 24554 B14R1.1025 C[C@@H](CO)CNCc1cccc(n1)Cl 2230a_100016990191_100000059175 [0,2,0,0,0,0|2,0,0]=4 24555 B14R1.1025 C[C@@H](CO)CNCc1cccc(n1)F 2230a_100015188798_100000059175 [0,2,0,0,0,0|2,0,0]=4 24556 B14R1.1025 C[C@@H](CO)CNCc1cccc(n1)F 34a_100015188798_100000059175 [0,2,0,0,0,0|2,0,0]=4 24557 B14R1.1025 C[C@@H](CO)CNCc1ccnc(c1)Br 2230a_100025757509_100000059175 [0,2,0,0,0,0|2,0,0]=4 24558 B14R1.1025 C[C@@H](CO)CNCc1ccnc(c1)Br 34a_100025757509_100000059175 [0,2,0,0,0,0|2,0,0]=4 24559 B14R1.1025 C[C@@H](CO)CNCc1ccnc(c1)Cl 2230a_100015205668_100000059175 [0,2,0,0,0,0|2,0,0]=4 24560 B14R1.1025 C[C@@H](CO)CNCc1ccnc(c1)Cl 34a_100015205668_100000059175 [0,2,0,0,0,0|2,0,0]=4 24561 B14R1.1025 C[C@@H](CO)CNCc1ccnc(c1)F 2230a_100015188774_100000059175 [0,2,0,0,0,0|2,0,0]=4 24562 B14R1.1025 C[C@@H](CO)CNCc1ccnc(c1)F 34a_100015188774_100000059175 [0,2,0,0,0,0|2,0,0]=4 24563 B14R1.1025 C[C@@H](CO)CNCc1cncc(c1)Cl 2230a_200020614424_100000059175 [0,2,0,0,0,0|2,0,0]=4 24564 B14R1.1025 C[C@@H](CO)CNCc1cncc(c1)F 2230a_100011962886_100000059175 [0,2,0,0,0,0|2,0,0]=4 24565 B14R1.1025 C[C@@H](CO)CNCc1cncc(c1)F 34a_100011962886_100000059175 [0,2,0,0,0,0|2,0,0]=4 24566 B14R1.1025 C[C@@H](CO)COCc1cc(ccn1)Cl 34a_100000748867_100000059175 [0,2,0,0,0,0|2,0,0]=4 24567 B14R1.1025 C[C@@H](CO)COCc1cc(ccn1)N 34a_100000692640_100000059175 [0,2,0,0,0,0|2,0,0]=4 24568 B14R1.1025 C[C@@H](CO)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000059175 [0,2,0,0,0,0|2,0,0]=4 24569 B14R1.1025 C[C@@H](CO)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000059175 [0,2,0,0,0,0|2,0,0]=4 24570 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Br 34a_100000687537_100000059175 [0,2,0,0,0,0|1,0,0]=3 24571 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Br 7a_100000687537_100000059175 [0,2,0,0,0,0|1,0,0]=3 24572 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Cl 34a_100000241301_100000059175 [0,2,0,0,0,0|1,0,0]=3 24573 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)Cl 7a_100000241301_100000059175 [0,2,0,0,0,0|1,0,0]=3 24574 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)F 34a_100000210976_100000059175 [0,2,0,0,0,0|1,0,0]=3 24575 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)F 7a_100000210976_100000059175 [0,2,0,0,0,0|1,0,0]=3 24576 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)I 34a_100011215336_100000059175 [0,2,0,0,0,0|1,0,0]=3 24577 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)I 7a_100011215336_100000059175 [0,2,0,0,0,0|1,0,0]=3 24578 B14R1.1025 C[C@@H](CO)COCc1cccc(c1)N 34a_100000211919_100000059175 [0,2,0,0,0,0|1,0,0]=3 24579 B14R1.1025 C[C@@H](CO)COCc1cccc(n1)Br 34a_100000694195_100000059175 [0,2,0,0,0,0|2,0,0]=4 24580 B14R1.1025 C[C@@H](CO)COCc1cccc(n1)Cl 34a_100011998359_100000059175 [0,2,0,0,0,0|2,0,0]=4 24581 B14R1.1025 C[C@@H](CO)COCc1cccc(n1)F 34a_100000086748_100000059175 [0,2,0,0,0,0|2,0,0]=4 24582 B14R1.1025 C[C@@H](CO)COCc1ccnc(c1)Br 34a_100009814636_100000059175 [0,2,0,0,0,0|2,0,0]=4 24583 B14R1.1025 C[C@@H](CO)COCc1ccnc(c1)Br 7a_100009814636_100000059175 [0,2,0,0,0,0|2,0,0]=4 24584 B14R1.1025 C[C@@H](CO)COCc1ccnc(c1)Cl 34a_100000748751_100000059175 [0,2,0,0,0,0|2,0,0]=4 24585 B14R1.1025 C[C@@H](CO)COCc1ccnc(c1)F 34a_100000082451_100000059175 [0,2,0,0,0,0|2,0,0]=4 24586 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)Br 34a_100011259137_100000059175 [0,2,0,0,0,0|2,0,0]=4 24587 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)Br 7a_100011259137_100000059175 [0,2,0,0,0,0|2,0,0]=4 24588 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)Cl 34a_100000092867_100000059175 [0,2,0,0,0,0|2,0,0]=4 24589 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)Cl 7a_100000092867_100000059175 [0,2,0,0,0,0|2,0,0]=4 24590 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)F 34a_100011962875_100000059175 [0,2,0,0,0,0|2,0,0]=4 24591 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)F 7a_100011962875_100000059175 [0,2,0,0,0,0|2,0,0]=4 24592 B14R1.1025 C[C@@H](CO)COCc1cncc(c1)N 34a_100000085308_100000059175 [0,2,0,0,0,0|2,0,0]=4 24593 B14R1.1025 C[C@@H](CO)CSCc1cc(ccn1)Br 62a_100000059175_100010173614 [0,2,0,0,0,0|2,0,0]=4 24594 B14R1.1025 C[C@@H](CO)CSCc1cc(ccn1)Br 62a_100010173614_100000059175 [0,2,0,0,0,0|2,0,0]=4 24595 B14R1.1025 C[C@@H](CO)CSCc1cc(ccn1)Cl 62a_100000059175_100016988179 [0,2,0,0,0,0|2,0,0]=4 24596 B14R1.1025 C[C@@H](CO)CSCc1cc(ccn1)Cl 62a_100016988179_100000059175 [0,2,0,0,0,0|2,0,0]=4 24597 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Br 62a_100000059175_100000211773 [0,2,0,0,0,0|1,0,0]=3 24598 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Br 62a_100000211773_100000059175 [0,2,0,0,0,0|1,0,0]=3 24599 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Cl 62a_100000059175_100000187163 [0,2,0,0,0,0|1,0,0]=3 24600 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)Cl 62a_100000187163_100000059175 [0,2,0,0,0,0|1,0,0]=3 24601 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)F 62a_100000059175_100000230114 [0,2,0,0,0,0|1,0,0]=3 24602 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)F 62a_100000230114_100000059175 [0,2,0,0,0,0|1,0,0]=3 24603 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)I 62a_100000059175_100011218688 [0,2,0,0,0,0|1,0,0]=3 24604 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)I 62a_100011218688_100000059175 [0,2,0,0,0,0|1,0,0]=3 24605 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)O 62a_100000059175_100011660834 [0,2,0,0,0,0|1,0,0]=3 24606 B14R1.1025 C[C@@H](CO)CSCc1cccc(c1)O 62a_100011660834_100000059175 [0,2,0,0,0,0|1,0,0]=3 24607 B14R1.1025 C[C@@H](CO)CSCc1cccc(n1)Br 62a_100000059175_100009889011 [0,2,0,0,0,0|2,0,0]=4 24608 B14R1.1025 C[C@@H](CO)CSCc1cccc(n1)Br 62a_100009889011_100000059175 [0,2,0,0,0,0|2,0,0]=4 24609 B14R1.1025 C[C@@H](CO)CSCc1cccc(n1)Cl 62a_100000059175_100000086093 [0,2,0,0,0,0|2,0,0]=4 24610 B14R1.1025 C[C@@H](CO)CSCc1cccc(n1)Cl 62a_100000086093_100000059175 [0,2,0,0,0,0|2,0,0]=4 24611 B14R1.1025 C[C@@H](CO)CSCc1cccc(n1)F 62a_100000059175_100009819644 [0,2,0,0,0,0|2,0,0]=4 24612 B14R1.1025 C[C@@H](CO)CSCc1cccc(n1)F 62a_100009819644_100000059175 [0,2,0,0,0,0|2,0,0]=4 24613 B14R1.1025 C[C@@H](CO)CSCc1ccnc(c1)Br 62a_100000059175_100010243470 [0,2,0,0,0,0|2,0,0]=4 24614 B14R1.1025 C[C@@H](CO)CSCc1ccnc(c1)Br 62a_100010254460_100000059175 [0,2,0,0,0,0|2,0,0]=4 24615 B14R1.1025 C[C@@H](CO)CSCc1ccnc(c1)Cl 62a_100000059175_100000764220 [0,2,0,0,0,0|2,0,0]=4 24616 B14R1.1025 C[C@@H](CO)CSCc1ccnc(c1)Cl 62a_100000764220_100000059175 [0,2,0,0,0,0|2,0,0]=4 24617 B14R1.1025 C[C@@H](CO)CSCc1cncc(c1)Br 62a_100000059175_100000738771 [0,2,0,0,0,0|2,0,0]=4 24618 B14R1.1025 C[C@@H](CO)CSCc1cncc(c1)Br 62a_100000738771_100000059175 [0,2,0,0,0,0|2,0,0]=4 24619 B14R1.1025 C[C@@H](CO)CSCc1cncc(c1)Cl 62a_100000059175_100016992070 [0,2,0,0,0,0|2,0,0]=4 24620 B14R1.1025 C[C@@H](CO)CSCc1cncc(c1)Cl 62a_100016992070_100000059175 [0,2,0,0,0,0|2,0,0]=4 24621 B14R1.1025 C[C@@H](CO)CSCc1cncc(c1)F 62a_100000059175_100000725299 [0,2,0,0,0,0|2,0,0]=4 24622 B14R1.1025 C[C@@H](CO)CSCc1cncc(c1)F 62a_100000725299_100000059175 [0,2,0,0,0,0|2,0,0]=4 24623 B14R1.1025 C[C@H](CO)NCCc1cccc(c1)Br 2230a_100000737577_100011740638 [0,2,0,0,0,0|1,0,0]=3 24624 B14R1.1025 C[C@H](CO)NCCc1cccc(c1)Cl 2230a_100000737577_100011713710 [0,2,0,0,0,0|1,0,0]=3 24625 B14R1.1025 C[C@H](CO)NCCc1cccc(c1)F 2230a_100000737577_100011217235 [0,2,0,0,0,0|1,0,0]=3 24626 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Br 62a_100011740638_100016084084 [0,2,0,0,0,0|1,0,0]=3 24627 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Br 62a_100016084084_100011740638 [0,2,0,0,0,0|1,0,0]=3 24628 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Cl 62a_100011713710_100016084084 [0,2,0,0,0,0|1,0,0]=3 24629 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)Cl 62a_100016084084_100011713710 [0,2,0,0,0,0|1,0,0]=3 24630 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)F 62a_100011217235_100016084084 [0,2,0,0,0,0|1,0,0]=3 24631 B14R1.1025 C[C@H](CO)SCCc1cccc(c1)F 62a_100016084084_100011217235 [0,2,0,0,0,0|1,0,0]=3 24632 B14R1.1025 Cc1cc(ccn1)CNCC(C)CO 207a_100000744482_100011361630 [0,2,0,0,0,0|2,0,0]=4 24633 B14R1.1025 Cc1cc(ccn1)CNCC(C)CO 34a_100000744482_200020672517 [0,2,0,0,0,0|2,0,0]=4 24634 B14R1.1025 Cc1cc(ccn1)CNCC(O)CO 34a_100011934566_100011219619 [0,2,0,0,0,0|2,0,0]=4 24635 B14R1.1025 Cc1cc(ccn1)CNC[C@@H](C)CO 34a_100011934566_100000059175 [0,2,0,0,0,0|2,0,0]=4 24636 B14R1.1025 Cc1cc(ccn1)CNC[C@@H](F)CO 207a_100015665980_100011361630 [0,2,0,0,0,0|2,0,0]=4 24637 B14R1.1025 Cc1cc(ccn1)CNC[C@@H](F)CO 270004a_100015665980_100011361630 [0,2,0,0,0,0|2,0,0]=4 24638 B14R1.1025 Cc1cc(ccn1)CNC[C@@H](F)CO 34a_100015665980_200020672517 [0,2,0,0,0,0|2,0,0]=4 24639 B14R1.1025 Cc1cc(ccn1)CNC[C@@H](O)CO 34a_100011934566_100009815848 [0,2,0,0,0,0|2,0,0]=4 24640 B14R1.1025 Cc1cc(ccn1)CNC[C@H](O)CO 207a_100020644852_100011361630 [0,2,0,0,0,0|2,0,0]=4 24641 B14R1.1025 Cc1cc(ccn1)CNC[C@H](O)CO 2230a_100020644852_200020672517 [0,2,0,0,0,0|2,0,0]=4 24642 B14R1.1025 Cc1cc(ccn1)COCC(O)CO 34a_100011998630_100011219619 [0,2,0,0,0,0|2,0,0]=4 24643 B14R1.1025 Cc1cc(ccn1)COC[C@@H](C)CO 34a_100011998630_100000059175 [0,2,0,0,0,0|2,0,0]=4 24644 B14R1.1025 Cc1cc(ccn1)COC[C@@H](O)CO 34a_100011998630_100009815848 [0,2,0,0,0,0|2,0,0]=4 24645 B14R1.1025 Cc1cc(ccn1)CSCC(O)CO 62a_100011219619_200020672517 [0,2,0,0,0,0|2,0,0]=4 24646 B14R1.1025 Cc1cc(ccn1)CSCC(O)CO 62a_200020672517_100011219619 [0,2,0,0,0,0|2,0,0]=4 24647 B14R1.1025 Cc1cc(ccn1)CSC[C@@H](C)CO 62a_100000059175_200020672517 [0,2,0,0,0,0|2,0,0]=4 24648 B14R1.1025 Cc1cc(ccn1)CSC[C@@H](C)CO 62a_200020672517_100000059175 [0,2,0,0,0,0|2,0,0]=4 24649 B14R1.1025 Cc1cc(ccn1)CSC[C@@H](O)CO 62a_100009815848_200020672517 [0,2,0,0,0,0|2,0,0]=4 24650 B14R1.1025 Cc1cc(ccn1)CSC[C@@H](O)CO 62a_200020672517_100009815848 [0,2,0,0,0,0|2,0,0]=4 24651 B14R1.1025 Cc1cc(ccn1)NCCC(C)CO 27a_106354213184_100000758586 [0,2,0,0,0,0|2,0,0]=4 24652 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO 240690a_100000749837_100000210174 [0,2,0,0,0,0|1,0,1]=4 24653 B14R1.1025 Cc1cccc(c1)CCNC(=O)CO 527a_100000749837_100000210174 [0,2,0,0,0,0|1,0,1]=4 24654 B14R1.1025 Cc1cccc(c1)CCNC(C)CO 2230a_100000749837_100012180447 [0,2,0,0,0,0|1,0,0]=3 24655 B14R1.1025 Cc1cccc(c1)CCNC(C)CO 34a_100000749837_100012180447 [0,2,0,0,0,0|1,0,0]=3 24656 B14R1.1025 Cc1cccc(c1)CCN[C@H](C)CO 2230a_100000737577_100011713685 [0,2,0,0,0,0|1,0,0]=3 24657 B14R1.1025 Cc1cccc(c1)CCOC(C)CF 34a_100016041109_100011713685 [0,2,0,0,0,0|2,0,0]=4 24658 B14R1.1025 Cc1cccc(c1)CCOC(C)CF 7a_100016041109_100011713685 [0,2,0,0,0,0|2,0,0]=4 24659 B14R1.1025 Cc1cccc(c1)CCOC(C)CN 34a_100000210904_100011713685 [0,2,0,0,0,0|2,0,0]=4 24660 B14R1.1025 Cc1cccc(c1)CCOC(C)CO 34a_100011217157_100012180447 [0,2,0,0,0,0|1,0,0]=3 24661 B14R1.1025 Cc1cccc(c1)CCOC(C)CO 7a_100011217157_100012180447 [0,2,0,0,0,0|1,0,0]=3 24662 B14R1.1025 Cc1cccc(c1)CCSC(C)CO 62a_100012180447_100011713685 [0,2,0,0,0,0|1,0,0]=3 24663 B14R1.1025 Cc1cccc(c1)CCS[C@H](C)CO 62a_100011713685_100016084084 [0,2,0,0,0,0|1,0,0]=3 24664 B14R1.1025 Cc1cccc(c1)CCS[C@H](C)CO 62a_100016084084_100011713685 [0,2,0,0,0,0|1,0,0]=3 24665 B14R1.1025 Cc1cccc(c1)CNCC(C)CO 207a_100000744482_100000211157 [0,2,0,0,0,0|1,0,0]=3 24666 B14R1.1025 Cc1cccc(c1)CNCC(C)CO 34a_100000744482_100000211840 [0,2,0,0,0,0|1,0,0]=3 24667 B14R1.1025 Cc1cccc(c1)CNCC(O)CO 2230a_100000185548_100011219619 [0,2,0,0,0,0|1,0,0]=3 24668 B14R1.1025 Cc1cccc(c1)CNCC(O)CO 34a_100000185548_100011219619 [0,2,0,0,0,0|1,0,0]=3 24669 B14R1.1025 Cc1cccc(c1)CNC[C@@H](C)CO 2230a_100000185548_100000059175 [0,2,0,0,0,0|1,0,0]=3 24670 B14R1.1025 Cc1cccc(c1)CNC[C@@H](C)CO 34a_100000185548_100000059175 [0,2,0,0,0,0|1,0,0]=3 24671 B14R1.1025 Cc1cccc(c1)CNC[C@@H](F)CO 207a_100015665980_100000211157 [0,2,0,0,0,0|1,0,0]=3 24672 B14R1.1025 Cc1cccc(c1)CNC[C@@H](F)CO 270004a_100015665980_100000211157 [0,2,0,0,0,0|1,0,0]=3 24673 B14R1.1025 Cc1cccc(c1)CNC[C@@H](F)CO 34a_100015665980_100000211840 [0,2,0,0,0,0|1,0,0]=3 24674 B14R1.1025 Cc1cccc(c1)CNC[C@@H](O)CF 2230a_100000185548_100015614560 [0,2,0,0,0,0|2,0,0]=4 24675 B14R1.1025 Cc1cccc(c1)CNC[C@@H](O)CF 34a_100000185548_100015614560 [0,2,0,0,0,0|2,0,0]=4 24676 B14R1.1025 Cc1cccc(c1)CNC[C@@H](O)CO 2230a_100000185548_100009815848 [0,2,0,0,0,0|1,0,0]=3 24677 B14R1.1025 Cc1cccc(c1)CNC[C@@H](O)CO 34a_100000185548_100009815848 [0,2,0,0,0,0|1,0,0]=3 24678 B14R1.1025 Cc1cccc(c1)CNC[C@H](O)CO 207a_100020644852_100000211157 [0,2,0,0,0,0|1,0,0]=3 24679 B14R1.1025 Cc1cccc(c1)CNC[C@H](O)CO 2230a_100020644852_100000211840 [0,2,0,0,0,0|1,0,0]=3 24680 B14R1.1025 Cc1cccc(c1)COCC(C)CN 34a_100000744482_100000211840 [0,2,0,0,0,0|2,0,0]=4 24681 B14R1.1025 Cc1cccc(c1)COCC(Cl)CCl 34a_100000033668_100000211840 [0,2,0,0,0,0|2,0,0]=4 24682 B14R1.1025 Cc1cccc(c1)COCC(O)CO 34a_100011217746_100011219619 [0,2,0,0,0,0|1,0,0]=3 24683 B14R1.1025 Cc1cccc(c1)COCC(O)CO 7a_100011217746_100011219619 [0,2,0,0,0,0|1,0,0]=3 24684 B14R1.1025 Cc1cccc(c1)COC[C@@H](C)CO 34a_100011217746_100000059175 [0,2,0,0,0,0|1,0,0]=3 24685 B14R1.1025 Cc1cccc(c1)COC[C@@H](C)CO 7a_100011217746_100000059175 [0,2,0,0,0,0|1,0,0]=3 24686 B14R1.1025 Cc1cccc(c1)COC[C@@H](O)CF 34a_100011217746_100015614560 [0,2,0,0,0,0|2,0,0]=4 24687 B14R1.1025 Cc1cccc(c1)COC[C@@H](O)CF 7a_100011217746_100015614560 [0,2,0,0,0,0|2,0,0]=4 24688 B14R1.1025 Cc1cccc(c1)COC[C@@H](O)CO 34a_100011217746_100009815848 [0,2,0,0,0,0|1,0,0]=3 24689 B14R1.1025 Cc1cccc(c1)COC[C@@H](O)CO 7a_100011217746_100009815848 [0,2,0,0,0,0|1,0,0]=3 24690 B14R1.1025 Cc1cccc(c1)COC[C@H](F)CN 34a_100015665980_100000211840 [0,2,0,0,0,0|2,0,0]=4 24691 B14R1.1025 Cc1cccc(c1)CSCC(O)CO 62a_100000211840_100011219619 [0,2,0,0,0,0|1,0,0]=3 24692 B14R1.1025 Cc1cccc(c1)CSCC(O)CO 62a_100011219619_100000211840 [0,2,0,0,0,0|1,0,0]=3 24693 B14R1.1025 Cc1cccc(c1)CSC[C@@H](C)CO 62a_100000059175_100000211840 [0,2,0,0,0,0|1,0,0]=3 24694 B14R1.1025 Cc1cccc(c1)CSC[C@@H](C)CO 62a_100000211840_100000059175 [0,2,0,0,0,0|1,0,0]=3 24695 B14R1.1025 Cc1cccc(c1)CSC[C@@H](O)CF 62a_100000211840_100015614560 [0,2,0,0,0,0|2,0,0]=4 24696 B14R1.1025 Cc1cccc(c1)CSC[C@@H](O)CF 62a_100015614560_100000211840 [0,2,0,0,0,0|2,0,0]=4 24697 B14R1.1025 Cc1cccc(c1)CSC[C@@H](O)CO 62a_100000211840_100009815848 [0,2,0,0,0,0|1,0,0]=3 24698 B14R1.1025 Cc1cccc(c1)CSC[C@@H](O)CO 62a_100009815848_100000211840 [0,2,0,0,0,0|1,0,0]=3 24699 B14R1.1025 Cc1cccc(n1)CCNC(C)CO 2230a_100011824523_100012180447 [0,2,0,0,0,0|2,0,0]=4 24700 B14R1.1025 Cc1cccc(n1)CCNC(C)CO 34a_100011824523_100012180447 [0,2,0,0,0,0|2,0,0]=4 24701 B14R1.1025 Cc1cccc(n1)CNCC(C)CO 207a_100000744482_100011215050 [0,2,0,0,0,0|2,0,0]=4 24702 B14R1.1025 Cc1cccc(n1)CNCC(C)CO 34a_100000744482_100000757606 [0,2,0,0,0,0|2,0,0]=4 24703 B14R1.1025 Cc1cccc(n1)CNCC(O)CO 34a_100000701342_100011219619 [0,2,0,0,0,0|2,0,0]=4 24704 B14R1.1025 Cc1cccc(n1)CNC[C@@H](C)CO 34a_100000701342_100000059175 [0,2,0,0,0,0|2,0,0]=4 24705 B14R1.1025 Cc1cccc(n1)CNC[C@@H](F)CO 207a_100015665980_100011215050 [0,2,0,0,0,0|2,0,0]=4 24706 B14R1.1025 Cc1cccc(n1)CNC[C@@H](F)CO 270004a_100015665980_100011215050 [0,2,0,0,0,0|2,0,0]=4 24707 B14R1.1025 Cc1cccc(n1)CNC[C@@H](F)CO 34a_100015665980_100000757606 [0,2,0,0,0,0|2,0,0]=4 24708 B14R1.1025 Cc1cccc(n1)CNC[C@@H](O)CO 34a_100000701342_100009815848 [0,2,0,0,0,0|2,0,0]=4 24709 B14R1.1025 Cc1cccc(n1)CNC[C@H](O)CO 207a_100020644852_100011215050 [0,2,0,0,0,0|2,0,0]=4 24710 B14R1.1025 Cc1cccc(n1)CNC[C@H](O)CO 2230a_100020644852_100000757606 [0,2,0,0,0,0|2,0,0]=4 24711 B14R1.1025 Cc1cccc(n1)COCC(O)CO 34a_100000690600_100011219619 [0,2,0,0,0,0|2,0,0]=4 24712 B14R1.1025 Cc1cccc(n1)COC[C@@H](C)CO 34a_100000690600_100000059175 [0,2,0,0,0,0|2,0,0]=4 24713 B14R1.1025 Cc1cccc(n1)COC[C@@H](O)CO 34a_100000690600_100009815848 [0,2,0,0,0,0|2,0,0]=4 24714 B14R1.1025 Cc1cccc(n1)CSCC(O)CO 62a_100000757606_100011219619 [0,2,0,0,0,0|2,0,0]=4 24715 B14R1.1025 Cc1cccc(n1)CSCC(O)CO 62a_100011219619_100000757606 [0,2,0,0,0,0|2,0,0]=4 24716 B14R1.1025 Cc1cccc(n1)CSC[C@@H](C)CO 62a_100000059175_100000757606 [0,2,0,0,0,0|2,0,0]=4 24717 B14R1.1025 Cc1cccc(n1)CSC[C@@H](C)CO 62a_100000757606_100000059175 [0,2,0,0,0,0|2,0,0]=4 24718 B14R1.1025 Cc1cccc(n1)CSC[C@@H](O)CO 62a_100000757606_100009815848 [0,2,0,0,0,0|2,0,0]=4 24719 B14R1.1025 Cc1cccc(n1)CSC[C@@H](O)CO 62a_100009815848_100000757606 [0,2,0,0,0,0|2,0,0]=4 24720 B14R1.1025 Cc1ccnc(c1)CNCC(C)CO 207a_100000744482_100011361488 [0,2,0,0,0,0|2,0,0]=4 24721 B14R1.1025 Cc1ccnc(c1)CNCC(C)CO 34a_100000744482_100000718516 [0,2,0,0,0,0|2,0,0]=4 24722 B14R1.1025 Cc1ccnc(c1)CNC[C@@H](F)CO 207a_100015665980_100011361488 [0,2,0,0,0,0|2,0,0]=4 24723 B14R1.1025 Cc1ccnc(c1)CNC[C@@H](F)CO 270004a_100015665980_100011361488 [0,2,0,0,0,0|2,0,0]=4 24724 B14R1.1025 Cc1ccnc(c1)CNC[C@@H](F)CO 34a_100015665980_100000718516 [0,2,0,0,0,0|2,0,0]=4 24725 B14R1.1025 Cc1ccnc(c1)CNC[C@H](O)CO 207a_100020644852_100011361488 [0,2,0,0,0,0|2,0,0]=4 24726 B14R1.1025 Cc1ccnc(c1)CNC[C@H](O)CO 2230a_100020644852_100000718516 [0,2,0,0,0,0|2,0,0]=4 24727 B14R1.1025 Cc1ccnc(c1)COCC(O)CO 34a_100011998357_100011219619 [0,2,0,0,0,0|2,0,0]=4 24728 B14R1.1025 Cc1ccnc(c1)COC[C@@H](C)CO 34a_100011998357_100000059175 [0,2,0,0,0,0|2,0,0]=4 24729 B14R1.1025 Cc1ccnc(c1)COC[C@@H](O)CO 34a_100011998357_100009815848 [0,2,0,0,0,0|2,0,0]=4 24730 B14R1.1025 Cc1ccnc(c1)CSCC(O)CO 62a_100000718516_100011219619 [0,2,0,0,0,0|2,0,0]=4 24731 B14R1.1025 Cc1ccnc(c1)CSCC(O)CO 62a_100011219619_100000718516 [0,2,0,0,0,0|2,0,0]=4 24732 B14R1.1025 Cc1ccnc(c1)CSC[C@@H](C)CO 62a_100000059175_100000718516 [0,2,0,0,0,0|2,0,0]=4 24733 B14R1.1025 Cc1ccnc(c1)CSC[C@@H](C)CO 62a_100000718516_100000059175 [0,2,0,0,0,0|2,0,0]=4 24734 B14R1.1025 Cc1ccnc(c1)CSC[C@@H](O)CO 62a_100000718516_100009815848 [0,2,0,0,0,0|2,0,0]=4 24735 B14R1.1025 Cc1ccnc(c1)CSC[C@@H](O)CO 62a_100009815848_100000718516 [0,2,0,0,0,0|2,0,0]=4 24736 B14R1.1025 Cc1cncc(c1)CNCC(C)CO 207a_100000744482_100011998712 [0,2,0,0,0,0|2,0,0]=4 24737 B14R1.1025 Cc1cncc(c1)CNCC(C)CO 34a_100000744482_100000716715 [0,2,0,0,0,0|2,0,0]=4 24738 B14R1.1025 Cc1cncc(c1)CNCC(O)CO 2230a_100000692839_100011219619 [0,2,0,0,0,0|2,0,0]=4 24739 B14R1.1025 Cc1cncc(c1)CNCC(O)CO 34a_100000692839_100011219619 [0,2,0,0,0,0|2,0,0]=4 24740 B14R1.1025 Cc1cncc(c1)CNC[C@@H](C)CO 2230a_100000692839_100000059175 [0,2,0,0,0,0|2,0,0]=4 24741 B14R1.1025 Cc1cncc(c1)CNC[C@@H](C)CO 34a_100000692839_100000059175 [0,2,0,0,0,0|2,0,0]=4 24742 B14R1.1025 Cc1cncc(c1)CNC[C@@H](F)CO 207a_100015665980_100011998712 [0,2,0,0,0,0|2,0,0]=4 24743 B14R1.1025 Cc1cncc(c1)CNC[C@@H](F)CO 270004a_100015665980_100011998712 [0,2,0,0,0,0|2,0,0]=4 24744 B14R1.1025 Cc1cncc(c1)CNC[C@@H](F)CO 34a_100015665980_100000716715 [0,2,0,0,0,0|2,0,0]=4 24745 B14R1.1025 Cc1cncc(c1)CNC[C@@H](O)CO 2230a_100000692839_100009815848 [0,2,0,0,0,0|2,0,0]=4 24746 B14R1.1025 Cc1cncc(c1)CNC[C@@H](O)CO 34a_100000692839_100009815848 [0,2,0,0,0,0|2,0,0]=4 24747 B14R1.1025 Cc1cncc(c1)CNC[C@H](O)CO 207a_100020644852_100011998712 [0,2,0,0,0,0|2,0,0]=4 24748 B14R1.1025 Cc1cncc(c1)CNC[C@H](O)CO 2230a_100020644852_100000716715 [0,2,0,0,0,0|2,0,0]=4 24749 B14R1.1025 Cc1cncc(c1)COCC(O)CO 34a_100011998709_100011219619 [0,2,0,0,0,0|2,0,0]=4 24750 B14R1.1025 Cc1cncc(c1)COCC(O)CO 7a_100011998709_100011219619 [0,2,0,0,0,0|2,0,0]=4 24751 B14R1.1025 Cc1cncc(c1)COC[C@@H](C)CO 34a_100011998709_100000059175 [0,2,0,0,0,0|2,0,0]=4 24752 B14R1.1025 Cc1cncc(c1)COC[C@@H](C)CO 7a_100011998709_100000059175 [0,2,0,0,0,0|2,0,0]=4 24753 B14R1.1025 Cc1cncc(c1)COC[C@@H](O)CO 34a_100011998709_100009815848 [0,2,0,0,0,0|2,0,0]=4 24754 B14R1.1025 Cc1cncc(c1)COC[C@@H](O)CO 7a_100011998709_100009815848 [0,2,0,0,0,0|2,0,0]=4 24755 B14R1.1025 Cc1cncc(c1)CSCC(O)CO 62a_100000716715_100011219619 [0,2,0,0,0,0|2,0,0]=4 24756 B14R1.1025 Cc1cncc(c1)CSCC(O)CO 62a_100011219619_100000716715 [0,2,0,0,0,0|2,0,0]=4 24757 B14R1.1025 Cc1cncc(c1)CSC[C@@H](C)CO 62a_100000059175_100000716715 [0,2,0,0,0,0|2,0,0]=4 24758 B14R1.1025 Cc1cncc(c1)CSC[C@@H](C)CO 62a_100000716715_100000059175 [0,2,0,0,0,0|2,0,0]=4 24759 B14R1.1025 Cc1cncc(c1)CSC[C@@H](O)CO 62a_100000716715_100009815848 [0,2,0,0,0,0|2,0,0]=4 24760 B14R1.1025 Cc1cncc(c1)CSC[C@@H](O)CO 62a_100009815848_100000716715 [0,2,0,0,0,0|2,0,0]=4 24761 B14R1.1025 ClCC(Cl)COCc1cccc(c1)Br 34a_100000033668_100000698116 [0,2,0,0,0,0|2,0,0]=4 24762 B14R1.1025 ClCC(Cl)COCc1cccc(c1)Cl 34a_100000033668_100000187163 [0,2,0,0,0,0|2,0,0]=4 24763 B14R1.1025 ClCC(Cl)COCc1cccc(c1)I 34a_100000033668_100011218688 [0,2,0,0,0,0|2,0,0]=4 24764 B14R1.1025 Fc1cccc(c1)COCC(Cl)CCl 34a_100000033668_100000187166 [0,2,0,0,0,0|2,0,0]=4 24765 B14R1.1025 NC[C@@H](F)COCc1cccc(c1)Br 34a_100015665980_100000698116 [0,2,0,0,0,0|2,0,0]=4 24766 B14R1.1025 NC[C@@H](F)COCc1cccc(c1)Cl 34a_100015665980_100000187163 [0,2,0,0,0,0|2,0,0]=4 24767 B14R1.1025 NC[C@@H](F)COCc1cccc(c1)F 34a_100015665980_100000187166 [0,2,0,0,0,0|2,0,0]=4 24768 B14R1.1025 NC[C@@H](F)COCc1cccc(c1)I 34a_100015665980_100011218688 [0,2,0,0,0,0|2,0,0]=4 24769 B14R1.1025 NC[C@@H](F)COCc1cccc(c1)O 34a_100015665980_100011660834 [0,2,0,0,0,0|2,0,0]=4 24770 B14R1.1025 Nc1cccc(c1)COCC(O)CO 34a_100000211919_100011219619 [0,2,0,0,0,0|1,0,0]=3 24771 B14R1.1025 Nc1cccc(c1)COC[C@@H](O)CF 34a_100000211919_100015614560 [0,2,0,0,0,0|2,0,0]=4 24772 B14R1.1025 Nc1cccc(c1)COC[C@@H](O)CO 34a_100000211919_100009815848 [0,2,0,0,0,0|1,0,0]=3 24773 B14R1.1025 Nc1ccnc(c1)COCC(O)CO 34a_100000692640_100011219619 [0,2,0,0,0,0|2,0,0]=4 24774 B14R1.1025 Nc1ccnc(c1)COC[C@@H](O)CO 34a_100000692640_100009815848 [0,2,0,0,0,0|2,0,0]=4 24775 B14R1.1025 Nc1cncc(c1)COCC(O)CO 34a_100000085308_100011219619 [0,2,0,0,0,0|2,0,0]=4 24776 B14R1.1025 Nc1cncc(c1)COC[C@@H](O)CO 34a_100000085308_100009815848 [0,2,0,0,0,0|2,0,0]=4 24777 B14R1.1025 O=C(CF)CCCc1cccc(c1)Br 1458a_100000685939_100015361967 [0,2,0,0,0,0|1,0,1]=4 24778 B14R1.1025 O=C(CO)CCCc1cccc(c1)Br 1458a_100000210174_100011713683 [0,2,0,0,0,0|0,0,1]=3 24779 B14R1.1025 O=C(CO)CCCc1cccc(c1)F 1458a_100000210174_200000698031 [0,2,0,0,0,0|0,0,1]=3 24780 B14R1.1025 O=C(CO)CCOc1cccc(c1)Br 1458a_100000210174_100000183150 [0,2,0,0,0,0|1,0,1]=4 24781 B14R1.1025 O=C(CO)CCOc1cccc(c1)Cl 1458a_100000210174_100000181161 [0,2,0,0,0,0|1,0,1]=4 24782 B14R1.1025 O=C(CO)CCOc1cccc(c1)F 1458a_100000210174_100000739188 [0,2,0,0,0,0|1,0,1]=4 24783 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br 240690a_100011207229_100000210174 [0,2,0,0,0,0|1,0,1]=4 24784 B14R1.1025 O=C(CO)NCCc1cccc(c1)Br 527a_100011207229_100000210174 [0,2,0,0,0,0|1,0,1]=4 24785 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl 240690a_100000185263_100000210174 [0,2,0,0,0,0|1,0,1]=4 24786 B14R1.1025 O=C(CO)NCCc1cccc(c1)Cl 527a_100000185263_100000210174 [0,2,0,0,0,0|1,0,1]=4 24787 B14R1.1025 O=C(CO)NCCc1cccc(c1)F 240690a_100000205154_100000210174 [0,2,0,0,0,0|1,0,1]=4 24788 B14R1.1025 O=C(CO)NCCc1cccc(c1)F 527a_100000205154_100000210174 [0,2,0,0,0,0|1,0,1]=4 24789 B14R1.1025 O=C(CO)NCCc1cccc(c1)O 240690a_100000747277_100000210174 [0,2,0,0,0,0|1,0,1]=4 24790 B14R1.1025 O=C(CO)NCCc1cccc(c1)O 527a_100000747277_100000210174 [0,2,0,0,0,0|1,0,1]=4 24791 B14R1.1025 O=c1cccc([nH]1)CNCC(O)CO 2230a_100000696482_100011219619 [0,2,0,0,0,0|2,0,0]=4 24792 B14R1.1025 O=c1cccc([nH]1)CNC[C@@H](F)CO 207a_100015665980_100011935257 [0,2,0,0,0,0|2,0,0]=4 24793 B14R1.1025 O=c1cccc([nH]1)CNC[C@@H](O)CO 2230a_100000696482_100009815848 [0,2,0,0,0,0|2,0,0]=4 24794 B14R1.1025 O=c1cccc([nH]1)CNC[C@H](O)CO 207a_100020644852_100011935257 [0,2,0,0,0,0|2,0,0]=4 24795 B14R1.1025 OCC(O)CNCc1cccc(c1)Br 2230a_100000174977_100011219619 [0,2,0,0,0,0|1,0,0]=3 24796 B14R1.1025 OCC(O)CNCc1cccc(c1)Br 34a_100000174977_100011219619 [0,2,0,0,0,0|1,0,0]=3 24797 B14R1.1025 OCC(O)CNCc1cccc(c1)Cl 2230a_100000174878_100011219619 [0,2,0,0,0,0|1,0,0]=3 24798 B14R1.1025 OCC(O)CNCc1cccc(c1)Cl 34a_100000174878_100011219619 [0,2,0,0,0,0|1,0,0]=3 24799 B14R1.1025 OCC(O)CNCc1cccc(c1)F 2230a_100000174948_100011219619 [0,2,0,0,0,0|1,0,0]=3 24800 B14R1.1025 OCC(O)CNCc1cccc(c1)F 34a_100000174948_100011219619 [0,2,0,0,0,0|1,0,0]=3 24801 B14R1.1025 OCC(O)CNCc1cccc(c1)I 2230a_100000106179_100011219619 [0,2,0,0,0,0|1,0,0]=3 24802 B14R1.1025 OCC(O)CNCc1cccc(c1)I 34a_100000106179_100011219619 [0,2,0,0,0,0|1,0,0]=3 24803 B14R1.1025 OCC(O)CNCc1cccc(c1)O 2230a_100000743036_100011219619 [0,2,0,0,0,0|1,0,0]=3 24804 B14R1.1025 OCC(O)CNCc1cccc(c1)O 34a_100000743036_100011219619 [0,2,0,0,0,0|1,0,0]=3 24805 B14R1.1025 OCC(O)CNCc1cccc(n1)Br 2230a_100016987751_100011219619 [0,2,0,0,0,0|2,0,0]=4 24806 B14R1.1025 OCC(O)CNCc1cccc(n1)Cl 2230a_100016990191_100011219619 [0,2,0,0,0,0|2,0,0]=4 24807 B14R1.1025 OCC(O)CNCc1cccc(n1)F 2230a_100015188798_100011219619 [0,2,0,0,0,0|2,0,0]=4 24808 B14R1.1025 OCC(O)CNCc1cccc(n1)F 34a_100015188798_100011219619 [0,2,0,0,0,0|2,0,0]=4 24809 B14R1.1025 OCC(O)CNCc1ccnc(c1)Br 2230a_100025757509_100011219619 [0,2,0,0,0,0|2,0,0]=4 24810 B14R1.1025 OCC(O)CNCc1ccnc(c1)Br 34a_100025757509_100011219619 [0,2,0,0,0,0|2,0,0]=4 24811 B14R1.1025 OCC(O)CNCc1ccnc(c1)Cl 2230a_100015205668_100011219619 [0,2,0,0,0,0|2,0,0]=4 24812 B14R1.1025 OCC(O)CNCc1ccnc(c1)Cl 34a_100015205668_100011219619 [0,2,0,0,0,0|2,0,0]=4 24813 B14R1.1025 OCC(O)CNCc1ccnc(c1)F 2230a_100015188774_100011219619 [0,2,0,0,0,0|2,0,0]=4 24814 B14R1.1025 OCC(O)CNCc1ccnc(c1)F 34a_100015188774_100011219619 [0,2,0,0,0,0|2,0,0]=4 24815 B14R1.1025 OCC(O)CNCc1cncc(c1)Cl 2230a_200020614424_100011219619 [0,2,0,0,0,0|2,0,0]=4 24816 B14R1.1025 OCC(O)CNCc1cncc(c1)F 2230a_100011962886_100011219619 [0,2,0,0,0,0|2,0,0]=4 24817 B14R1.1025 OCC(O)CNCc1cncc(c1)F 34a_100011962886_100011219619 [0,2,0,0,0,0|2,0,0]=4 24818 B14R1.1025 OCC(O)COCc1cc(ccn1)Cl 34a_100000748867_100011219619 [0,2,0,0,0,0|2,0,0]=4 24819 B14R1.1025 OCC(O)COCc1cccc(c1)Br 34a_100000687537_100011219619 [0,2,0,0,0,0|1,0,0]=3 24820 B14R1.1025 OCC(O)COCc1cccc(c1)Br 7a_100000687537_100011219619 [0,2,0,0,0,0|1,0,0]=3 24821 B14R1.1025 OCC(O)COCc1cccc(c1)Cl 34a_100000241301_100011219619 [0,2,0,0,0,0|1,0,0]=3 24822 B14R1.1025 OCC(O)COCc1cccc(c1)Cl 7a_100000241301_100011219619 [0,2,0,0,0,0|1,0,0]=3 24823 B14R1.1025 OCC(O)COCc1cccc(c1)F 34a_100000210976_100011219619 [0,2,0,0,0,0|1,0,0]=3 24824 B14R1.1025 OCC(O)COCc1cccc(c1)F 7a_100000210976_100011219619 [0,2,0,0,0,0|1,0,0]=3 24825 B14R1.1025 OCC(O)COCc1cccc(c1)I 34a_100011215336_100011219619 [0,2,0,0,0,0|1,0,0]=3 24826 B14R1.1025 OCC(O)COCc1cccc(c1)I 7a_100011215336_100011219619 [0,2,0,0,0,0|1,0,0]=3 24827 B14R1.1025 OCC(O)COCc1cccc(n1)Br 34a_100000694195_100011219619 [0,2,0,0,0,0|2,0,0]=4 24828 B14R1.1025 OCC(O)COCc1cccc(n1)Cl 34a_100011998359_100011219619 [0,2,0,0,0,0|2,0,0]=4 24829 B14R1.1025 OCC(O)COCc1cccc(n1)F 34a_100000086748_100011219619 [0,2,0,0,0,0|2,0,0]=4 24830 B14R1.1025 OCC(O)COCc1ccnc(c1)Br 34a_100009814636_100011219619 [0,2,0,0,0,0|2,0,0]=4 24831 B14R1.1025 OCC(O)COCc1ccnc(c1)Br 7a_100009814636_100011219619 [0,2,0,0,0,0|2,0,0]=4 24832 B14R1.1025 OCC(O)COCc1ccnc(c1)Cl 34a_100000748751_100011219619 [0,2,0,0,0,0|2,0,0]=4 24833 B14R1.1025 OCC(O)COCc1ccnc(c1)F 34a_100000082451_100011219619 [0,2,0,0,0,0|2,0,0]=4 24834 B14R1.1025 OCC(O)COCc1cncc(c1)Br 34a_100011259137_100011219619 [0,2,0,0,0,0|2,0,0]=4 24835 B14R1.1025 OCC(O)COCc1cncc(c1)Br 7a_100011259137_100011219619 [0,2,0,0,0,0|2,0,0]=4 24836 B14R1.1025 OCC(O)COCc1cncc(c1)Cl 34a_100000092867_100011219619 [0,2,0,0,0,0|2,0,0]=4 24837 B14R1.1025 OCC(O)COCc1cncc(c1)Cl 7a_100000092867_100011219619 [0,2,0,0,0,0|2,0,0]=4 24838 B14R1.1025 OCC(O)COCc1cncc(c1)F 34a_100011962875_100011219619 [0,2,0,0,0,0|2,0,0]=4 24839 B14R1.1025 OCC(O)COCc1cncc(c1)F 7a_100011962875_100011219619 [0,2,0,0,0,0|2,0,0]=4 24840 B14R1.1025 OCC(O)CSCc1cc(ccn1)Br 62a_100010173614_100011219619 [0,2,0,0,0,0|2,0,0]=4 24841 B14R1.1025 OCC(O)CSCc1cc(ccn1)Br 62a_100011219619_100010173614 [0,2,0,0,0,0|2,0,0]=4 24842 B14R1.1025 OCC(O)CSCc1cc(ccn1)Cl 62a_100011219619_100016988179 [0,2,0,0,0,0|2,0,0]=4 24843 B14R1.1025 OCC(O)CSCc1cc(ccn1)Cl 62a_100016988179_100011219619 [0,2,0,0,0,0|2,0,0]=4 24844 B14R1.1025 OCC(O)CSCc1cccc(c1)Br 62a_100000211773_100011219619 [0,2,0,0,0,0|1,0,0]=3 24845 B14R1.1025 OCC(O)CSCc1cccc(c1)Br 62a_100011219619_100000211773 [0,2,0,0,0,0|1,0,0]=3 24846 B14R1.1025 OCC(O)CSCc1cccc(c1)Cl 62a_100000187163_100011219619 [0,2,0,0,0,0|1,0,0]=3 24847 B14R1.1025 OCC(O)CSCc1cccc(c1)Cl 62a_100011219619_100000187163 [0,2,0,0,0,0|1,0,0]=3 24848 B14R1.1025 OCC(O)CSCc1cccc(c1)F 62a_100000230114_100011219619 [0,2,0,0,0,0|1,0,0]=3 24849 B14R1.1025 OCC(O)CSCc1cccc(c1)F 62a_100011219619_100000230114 [0,2,0,0,0,0|1,0,0]=3 24850 B14R1.1025 OCC(O)CSCc1cccc(c1)I 62a_100011218688_100011219619 [0,2,0,0,0,0|1,0,0]=3 24851 B14R1.1025 OCC(O)CSCc1cccc(c1)I 62a_100011219619_100011218688 [0,2,0,0,0,0|1,0,0]=3 24852 B14R1.1025 OCC(O)CSCc1cccc(c1)O 62a_100011219619_100011660834 [0,2,0,0,0,0|1,0,0]=3 24853 B14R1.1025 OCC(O)CSCc1cccc(c1)O 62a_100011660834_100011219619 [0,2,0,0,0,0|1,0,0]=3 24854 B14R1.1025 OCC(O)CSCc1cccc(n1)Br 62a_100009889011_100011219619 [0,2,0,0,0,0|2,0,0]=4 24855 B14R1.1025 OCC(O)CSCc1cccc(n1)Br 62a_100011219619_100009889011 [0,2,0,0,0,0|2,0,0]=4 24856 B14R1.1025 OCC(O)CSCc1cccc(n1)Cl 62a_100000086093_100011219619 [0,2,0,0,0,0|2,0,0]=4 24857 B14R1.1025 OCC(O)CSCc1cccc(n1)Cl 62a_100011219619_100000086093 [0,2,0,0,0,0|2,0,0]=4 24858 B14R1.1025 OCC(O)CSCc1cccc(n1)F 62a_100009819644_100011219619 [0,2,0,0,0,0|2,0,0]=4 24859 B14R1.1025 OCC(O)CSCc1cccc(n1)F 62a_100011219619_100009819644 [0,2,0,0,0,0|2,0,0]=4 24860 B14R1.1025 OCC(O)CSCc1ccnc(c1)Br 62a_100010254460_100011219619 [0,2,0,0,0,0|2,0,0]=4 24861 B14R1.1025 OCC(O)CSCc1ccnc(c1)Br 62a_100011219619_100010243470 [0,2,0,0,0,0|2,0,0]=4 24862 B14R1.1025 OCC(O)CSCc1ccnc(c1)Cl 62a_100000764220_100011219619 [0,2,0,0,0,0|2,0,0]=4 24863 B14R1.1025 OCC(O)CSCc1ccnc(c1)Cl 62a_100011219619_100000764220 [0,2,0,0,0,0|2,0,0]=4 24864 B14R1.1025 OCC(O)CSCc1cncc(c1)Br 62a_100000738771_100011219619 [0,2,0,0,0,0|2,0,0]=4 24865 B14R1.1025 OCC(O)CSCc1cncc(c1)Br 62a_100011219619_100000738771 [0,2,0,0,0,0|2,0,0]=4 24866 B14R1.1025 OCC(O)CSCc1cncc(c1)Cl 62a_100011219619_100016992070 [0,2,0,0,0,0|2,0,0]=4 24867 B14R1.1025 OCC(O)CSCc1cncc(c1)Cl 62a_100016992070_100011219619 [0,2,0,0,0,0|2,0,0]=4 24868 B14R1.1025 OCC(O)CSCc1cncc(c1)F 62a_100000725299_100011219619 [0,2,0,0,0,0|2,0,0]=4 24869 B14R1.1025 OCC(O)CSCc1cncc(c1)F 62a_100011219619_100000725299 [0,2,0,0,0,0|2,0,0]=4 24870 B14R1.1025 OC[C@@H](O)CNCc1cc(ccn1)Br 2230a_100020644852_100010173614 [0,2,0,0,0,0|2,0,0]=4 24871 B14R1.1025 OC[C@@H](O)CNCc1cc(ccn1)Cl 2230a_100020644852_100016988179 [0,2,0,0,0,0|2,0,0]=4 24872 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)Br 207a_100020644852_100000210085 [0,2,0,0,0,0|1,0,0]=3 24873 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)Br 2230a_100020644852_100000698116 [0,2,0,0,0,0|1,0,0]=3 24874 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)Cl 207a_100020644852_100000210801 [0,2,0,0,0,0|1,0,0]=3 24875 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)Cl 2230a_100020644852_100000181238 [0,2,0,0,0,0|1,0,0]=3 24876 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)F 207a_100020644852_100000210812 [0,2,0,0,0,0|1,0,0]=3 24877 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)F 2230a_100020644852_100000230114 [0,2,0,0,0,0|1,0,0]=3 24878 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)I 207a_100020644852_100000014684 [0,2,0,0,0,0|1,0,0]=3 24879 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)I 2230a_100020644852_100011218688 [0,2,0,0,0,0|1,0,0]=3 24880 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)O 207a_100020644852_100000188321 [0,2,0,0,0,0|1,0,0]=3 24881 B14R1.1025 OC[C@@H](O)CNCc1cccc(c1)O 2230a_100020644852_100011660834 [0,2,0,0,0,0|1,0,0]=3 24882 B14R1.1025 OC[C@@H](O)CNCc1cccc(n1)Br 2230a_100020644852_100009889011 [0,2,0,0,0,0|2,0,0]=4 24883 B14R1.1025 OC[C@@H](O)CNCc1cccc(n1)Cl 2230a_100020644852_100000086093 [0,2,0,0,0,0|2,0,0]=4 24884 B14R1.1025 OC[C@@H](O)CNCc1cccc(n1)F 2230a_100020644852_100009819644 [0,2,0,0,0,0|2,0,0]=4 24885 B14R1.1025 OC[C@@H](O)CNCc1ccnc(c1)Br 2230a_100020644852_100010243470 [0,2,0,0,0,0|2,0,0]=4 24886 B14R1.1025 OC[C@@H](O)CNCc1ccnc(c1)Cl 2230a_100020644852_100000764220 [0,2,0,0,0,0|2,0,0]=4 24887 B14R1.1025 OC[C@@H](O)CNCc1ccnc(c1)O 207a_100020644852_100000688113 [0,2,0,0,0,0|2,0,0]=4 24888 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)Br 207a_100020644852_100000687066 [0,2,0,0,0,0|2,0,0]=4 24889 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)Br 2230a_100020644852_100000738771 [0,2,0,0,0,0|2,0,0]=4 24890 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)Cl 207a_100020644852_100000088910 [0,2,0,0,0,0|2,0,0]=4 24891 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)Cl 2230a_100020644852_100016992070 [0,2,0,0,0,0|2,0,0]=4 24892 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)F 207a_100020644852_100011361476 [0,2,0,0,0,0|2,0,0]=4 24893 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)F 2230a_100020644852_100000725299 [0,2,0,0,0,0|2,0,0]=4 24894 B14R1.1025 OC[C@@H](O)CNCc1cncc(c1)O 207a_100020644852_100012187055 [0,2,0,0,0,0|2,0,0]=4 24895 B14R1.1025 OC[C@H](F)CNCc1cc(ccn1)Br 270004a_100015665980_100009818557 [0,2,0,0,0,0|2,0,0]=4 24896 B14R1.1025 OC[C@H](F)CNCc1cc(ccn1)Br 34a_100015665980_100010173614 [0,2,0,0,0,0|2,0,0]=4 24897 B14R1.1025 OC[C@H](F)CNCc1cc(ccn1)Cl 270004a_100015665980_100011998288 [0,2,0,0,0,0|2,0,0]=4 24898 B14R1.1025 OC[C@H](F)CNCc1cc(ccn1)Cl 34a_100015665980_100016988179 [0,2,0,0,0,0|2,0,0]=4 24899 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)Br 207a_100015665980_100000210085 [0,2,0,0,0,0|1,0,0]=3 24900 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)Br 270004a_100015665980_100000210085 [0,2,0,0,0,0|1,0,0]=3 24901 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)Br 34a_100015665980_100000698116 [0,2,0,0,0,0|1,0,0]=3 24902 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)Cl 207a_100015665980_100000210801 [0,2,0,0,0,0|1,0,0]=3 24903 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)Cl 270004a_100015665980_100000210801 [0,2,0,0,0,0|1,0,0]=3 24904 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)Cl 34a_100015665980_100000187163 [0,2,0,0,0,0|1,0,0]=3 24905 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)F 207a_100015665980_100000210812 [0,2,0,0,0,0|1,0,0]=3 24906 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)F 270004a_100015665980_100000210812 [0,2,0,0,0,0|1,0,0]=3 24907 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)F 34a_100015665980_100000187166 [0,2,0,0,0,0|1,0,0]=3 24908 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)I 207a_100015665980_100000014684 [0,2,0,0,0,0|1,0,0]=3 24909 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)I 270004a_100015665980_100000014684 [0,2,0,0,0,0|1,0,0]=3 24910 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)I 34a_100015665980_100011218688 [0,2,0,0,0,0|1,0,0]=3 24911 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)O 207a_100015665980_100000188321 [0,2,0,0,0,0|1,0,0]=3 24912 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)O 270004a_100015665980_100000188321 [0,2,0,0,0,0|1,0,0]=3 24913 B14R1.1025 OC[C@H](F)CNCc1cccc(c1)O 34a_100015665980_100011660834 [0,2,0,0,0,0|1,0,0]=3 24914 B14R1.1025 OC[C@H](F)CNCc1cccc(n1)Br 270004a_100015665980_100000688028 [0,2,0,0,0,0|2,0,0]=4 24915 B14R1.1025 OC[C@H](F)CNCc1cccc(n1)Br 34a_100015665980_100009889011 [0,2,0,0,0,0|2,0,0]=4 24916 B14R1.1025 OC[C@H](F)CNCc1cccc(n1)Cl 270004a_100015665980_100011361687 [0,2,0,0,0,0|2,0,0]=4 24917 B14R1.1025 OC[C@H](F)CNCc1cccc(n1)Cl 34a_100015665980_100000086093 [0,2,0,0,0,0|2,0,0]=4 24918 B14R1.1025 OC[C@H](F)CNCc1cccc(n1)F 270004a_100015665980_100000050434 [0,2,0,0,0,0|2,0,0]=4 24919 B14R1.1025 OC[C@H](F)CNCc1cccc(n1)F 34a_100015665980_100009819644 [0,2,0,0,0,0|2,0,0]=4 24920 B14R1.1025 OC[C@H](F)CNCc1ccnc(c1)Br 270004a_100015665980_100009814634 [0,2,0,0,0,0|2,0,0]=4 24921 B14R1.1025 OC[C@H](F)CNCc1ccnc(c1)Br 34a_100015665980_100010243470 [0,2,0,0,0,0|2,0,0]=4 24922 B14R1.1025 OC[C@H](F)CNCc1ccnc(c1)Cl 270004a_100015665980_100011290808 [0,2,0,0,0,0|2,0,0]=4 24923 B14R1.1025 OC[C@H](F)CNCc1ccnc(c1)Cl 34a_100015665980_100000764220 [0,2,0,0,0,0|2,0,0]=4 24924 B14R1.1025 OC[C@H](F)CNCc1ccnc(c1)F 270004a_100015665980_100000068331 [0,2,0,0,0,0|2,0,0]=4 24925 B14R1.1025 OC[C@H](F)CNCc1ccnc(c1)O 207a_100015665980_100000688113 [0,2,0,0,0,0|2,0,0]=4 24926 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)Br 207a_100015665980_100000687066 [0,2,0,0,0,0|2,0,0]=4 24927 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)Br 270004a_100015665980_100000687066 [0,2,0,0,0,0|2,0,0]=4 24928 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)Br 34a_100015665980_100000738771 [0,2,0,0,0,0|2,0,0]=4 24929 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)Cl 207a_100015665980_100000088910 [0,2,0,0,0,0|2,0,0]=4 24930 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)Cl 270004a_100015665980_100000088910 [0,2,0,0,0,0|2,0,0]=4 24931 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)Cl 34a_100015665980_100016992070 [0,2,0,0,0,0|2,0,0]=4 24932 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)F 207a_100015665980_100011361476 [0,2,0,0,0,0|2,0,0]=4 24933 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)F 270004a_100015665980_100011361476 [0,2,0,0,0,0|2,0,0]=4 24934 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)F 34a_100015665980_100000725299 [0,2,0,0,0,0|2,0,0]=4 24935 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)O 207a_100015665980_100012187055 [0,2,0,0,0,0|2,0,0]=4 24936 B14R1.1025 OC[C@H](F)CNCc1cncc(c1)O 270004a_100015665980_100012187055 [0,2,0,0,0,0|2,0,0]=4 24937 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)Br 2230a_100000174977_100009815848 [0,2,0,0,0,0|1,0,0]=3 24938 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)Br 34a_100000174977_100009815848 [0,2,0,0,0,0|1,0,0]=3 24939 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)Cl 2230a_100000174878_100009815848 [0,2,0,0,0,0|1,0,0]=3 24940 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)Cl 34a_100000174878_100009815848 [0,2,0,0,0,0|1,0,0]=3 24941 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)F 2230a_100000174948_100009815848 [0,2,0,0,0,0|1,0,0]=3 24942 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)F 34a_100000174948_100009815848 [0,2,0,0,0,0|1,0,0]=3 24943 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)I 2230a_100000106179_100009815848 [0,2,0,0,0,0|1,0,0]=3 24944 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)I 34a_100000106179_100009815848 [0,2,0,0,0,0|1,0,0]=3 24945 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009815848 [0,2,0,0,0,0|1,0,0]=3 24946 B14R1.1025 OC[C@H](O)CNCc1cccc(c1)O 34a_100000743036_100009815848 [0,2,0,0,0,0|1,0,0]=3 24947 B14R1.1025 OC[C@H](O)CNCc1cccc(n1)Br 2230a_100016987751_100009815848 [0,2,0,0,0,0|2,0,0]=4 24948 B14R1.1025 OC[C@H](O)CNCc1cccc(n1)Cl 2230a_100016990191_100009815848 [0,2,0,0,0,0|2,0,0]=4 24949 B14R1.1025 OC[C@H](O)CNCc1cccc(n1)F 2230a_100015188798_100009815848 [0,2,0,0,0,0|2,0,0]=4 24950 B14R1.1025 OC[C@H](O)CNCc1cccc(n1)F 34a_100015188798_100009815848 [0,2,0,0,0,0|2,0,0]=4 24951 B14R1.1025 OC[C@H](O)CNCc1ccnc(c1)Br 2230a_100025757509_100009815848 [0,2,0,0,0,0|2,0,0]=4 24952 B14R1.1025 OC[C@H](O)CNCc1ccnc(c1)Br 34a_100025757509_100009815848 [0,2,0,0,0,0|2,0,0]=4 24953 B14R1.1025 OC[C@H](O)CNCc1ccnc(c1)Cl 2230a_100015205668_100009815848 [0,2,0,0,0,0|2,0,0]=4 24954 B14R1.1025 OC[C@H](O)CNCc1ccnc(c1)Cl 34a_100015205668_100009815848 [0,2,0,0,0,0|2,0,0]=4 24955 B14R1.1025 OC[C@H](O)CNCc1ccnc(c1)F 2230a_100015188774_100009815848 [0,2,0,0,0,0|2,0,0]=4 24956 B14R1.1025 OC[C@H](O)CNCc1ccnc(c1)F 34a_100015188774_100009815848 [0,2,0,0,0,0|2,0,0]=4 24957 B14R1.1025 OC[C@H](O)CNCc1cncc(c1)Cl 2230a_200020614424_100009815848 [0,2,0,0,0,0|2,0,0]=4 24958 B14R1.1025 OC[C@H](O)CNCc1cncc(c1)F 2230a_100011962886_100009815848 [0,2,0,0,0,0|2,0,0]=4 24959 B14R1.1025 OC[C@H](O)CNCc1cncc(c1)F 34a_100011962886_100009815848 [0,2,0,0,0,0|2,0,0]=4 24960 B14R1.1025 OC[C@H](O)COCc1cc(ccn1)Cl 34a_100000748867_100009815848 [0,2,0,0,0,0|2,0,0]=4 24961 B14R1.1025 OC[C@H](O)COCc1cccc(c1)Br 34a_100000687537_100009815848 [0,2,0,0,0,0|1,0,0]=3 24962 B14R1.1025 OC[C@H](O)COCc1cccc(c1)Br 7a_100000687537_100009815848 [0,2,0,0,0,0|1,0,0]=3 24963 B14R1.1025 OC[C@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009815848 [0,2,0,0,0,0|1,0,0]=3 24964 B14R1.1025 OC[C@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009815848 [0,2,0,0,0,0|1,0,0]=3 24965 B14R1.1025 OC[C@H](O)COCc1cccc(c1)F 34a_100000210976_100009815848 [0,2,0,0,0,0|1,0,0]=3 24966 B14R1.1025 OC[C@H](O)COCc1cccc(c1)F 7a_100000210976_100009815848 [0,2,0,0,0,0|1,0,0]=3 24967 B14R1.1025 OC[C@H](O)COCc1cccc(c1)I 34a_100011215336_100009815848 [0,2,0,0,0,0|1,0,0]=3 24968 B14R1.1025 OC[C@H](O)COCc1cccc(c1)I 7a_100011215336_100009815848 [0,2,0,0,0,0|1,0,0]=3 24969 B14R1.1025 OC[C@H](O)COCc1cccc(n1)Br 34a_100000694195_100009815848 [0,2,0,0,0,0|2,0,0]=4 24970 B14R1.1025 OC[C@H](O)COCc1cccc(n1)Cl 34a_100011998359_100009815848 [0,2,0,0,0,0|2,0,0]=4 24971 B14R1.1025 OC[C@H](O)COCc1cccc(n1)F 34a_100000086748_100009815848 [0,2,0,0,0,0|2,0,0]=4 24972 B14R1.1025 OC[C@H](O)COCc1ccnc(c1)Br 34a_100009814636_100009815848 [0,2,0,0,0,0|2,0,0]=4 24973 B14R1.1025 OC[C@H](O)COCc1ccnc(c1)Br 7a_100009814636_100009815848 [0,2,0,0,0,0|2,0,0]=4 24974 B14R1.1025 OC[C@H](O)COCc1ccnc(c1)Cl 34a_100000748751_100009815848 [0,2,0,0,0,0|2,0,0]=4 24975 B14R1.1025 OC[C@H](O)COCc1ccnc(c1)F 34a_100000082451_100009815848 [0,2,0,0,0,0|2,0,0]=4 24976 B14R1.1025 OC[C@H](O)COCc1cncc(c1)Br 34a_100011259137_100009815848 [0,2,0,0,0,0|2,0,0]=4 24977 B14R1.1025 OC[C@H](O)COCc1cncc(c1)Br 7a_100011259137_100009815848 [0,2,0,0,0,0|2,0,0]=4 24978 B14R1.1025 OC[C@H](O)COCc1cncc(c1)Cl 34a_100000092867_100009815848 [0,2,0,0,0,0|2,0,0]=4 24979 B14R1.1025 OC[C@H](O)COCc1cncc(c1)Cl 7a_100000092867_100009815848 [0,2,0,0,0,0|2,0,0]=4 24980 B14R1.1025 OC[C@H](O)COCc1cncc(c1)F 34a_100011962875_100009815848 [0,2,0,0,0,0|2,0,0]=4 24981 B14R1.1025 OC[C@H](O)COCc1cncc(c1)F 7a_100011962875_100009815848 [0,2,0,0,0,0|2,0,0]=4 24982 B14R1.1025 OC[C@H](O)CSCc1cc(ccn1)Br 62a_100009815848_100010173614 [0,2,0,0,0,0|2,0,0]=4 24983 B14R1.1025 OC[C@H](O)CSCc1cc(ccn1)Br 62a_100010173614_100009815848 [0,2,0,0,0,0|2,0,0]=4 24984 B14R1.1025 OC[C@H](O)CSCc1cc(ccn1)Cl 62a_100009815848_100016988179 [0,2,0,0,0,0|2,0,0]=4 24985 B14R1.1025 OC[C@H](O)CSCc1cc(ccn1)Cl 62a_100016988179_100009815848 [0,2,0,0,0,0|2,0,0]=4 24986 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Br 62a_100000211773_100009815848 [0,2,0,0,0,0|1,0,0]=3 24987 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Br 62a_100009815848_100000211773 [0,2,0,0,0,0|1,0,0]=3 24988 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Cl 62a_100000187163_100009815848 [0,2,0,0,0,0|1,0,0]=3 24989 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)Cl 62a_100009815848_100000187163 [0,2,0,0,0,0|1,0,0]=3 24990 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)F 62a_100000230114_100009815848 [0,2,0,0,0,0|1,0,0]=3 24991 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)F 62a_100009815848_100000230114 [0,2,0,0,0,0|1,0,0]=3 24992 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)I 62a_100009815848_100011218688 [0,2,0,0,0,0|1,0,0]=3 24993 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)I 62a_100011218688_100009815848 [0,2,0,0,0,0|1,0,0]=3 24994 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)O 62a_100009815848_100011660834 [0,2,0,0,0,0|1,0,0]=3 24995 B14R1.1025 OC[C@H](O)CSCc1cccc(c1)O 62a_100011660834_100009815848 [0,2,0,0,0,0|1,0,0]=3 24996 B14R1.1025 OC[C@H](O)CSCc1cccc(n1)Br 62a_100009815848_100009889011 [0,2,0,0,0,0|2,0,0]=4 24997 B14R1.1025 OC[C@H](O)CSCc1cccc(n1)Br 62a_100009889011_100009815848 [0,2,0,0,0,0|2,0,0]=4 24998 B14R1.1025 OC[C@H](O)CSCc1cccc(n1)Cl 62a_100000086093_100009815848 [0,2,0,0,0,0|2,0,0]=4 24999 B14R1.1025 OC[C@H](O)CSCc1cccc(n1)Cl 62a_100009815848_100000086093 [0,2,0,0,0,0|2,0,0]=4 25000 B14R1.1025 OC[C@H](O)CSCc1cccc(n1)F 62a_100009815848_100009819644 [0,2,0,0,0,0|2,0,0]=4 25001 B14R1.1025 OC[C@H](O)CSCc1cccc(n1)F 62a_100009819644_100009815848 [0,2,0,0,0,0|2,0,0]=4 25002 B14R1.1025 OC[C@H](O)CSCc1ccnc(c1)Br 62a_100009815848_100010243470 [0,2,0,0,0,0|2,0,0]=4 25003 B14R1.1025 OC[C@H](O)CSCc1ccnc(c1)Br 62a_100010254460_100009815848 [0,2,0,0,0,0|2,0,0]=4 25004 B14R1.1025 OC[C@H](O)CSCc1ccnc(c1)Cl 62a_100000764220_100009815848 [0,2,0,0,0,0|2,0,0]=4 25005 B14R1.1025 OC[C@H](O)CSCc1ccnc(c1)Cl 62a_100009815848_100000764220 [0,2,0,0,0,0|2,0,0]=4 25006 B14R1.1025 OC[C@H](O)CSCc1cncc(c1)Br 62a_100000738771_100009815848 [0,2,0,0,0,0|2,0,0]=4 25007 B14R1.1025 OC[C@H](O)CSCc1cncc(c1)Br 62a_100009815848_100000738771 [0,2,0,0,0,0|2,0,0]=4 25008 B14R1.1025 OC[C@H](O)CSCc1cncc(c1)Cl 62a_100009815848_100016992070 [0,2,0,0,0,0|2,0,0]=4 25009 B14R1.1025 OC[C@H](O)CSCc1cncc(c1)Cl 62a_100016992070_100009815848 [0,2,0,0,0,0|2,0,0]=4 25010 B14R1.1025 OC[C@H](O)CSCc1cncc(c1)F 62a_100000725299_100009815848 [0,2,0,0,0,0|2,0,0]=4 25011 B14R1.1025 OC[C@H](O)CSCc1cncc(c1)F 62a_100009815848_100000725299 [0,2,0,0,0,0|2,0,0]=4 25012 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)Br 2230a_100000174977_100015614560 [0,2,0,0,0,0|2,0,0]=4 25013 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)Br 34a_100000174977_100015614560 [0,2,0,0,0,0|2,0,0]=4 25014 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)Cl 2230a_100000174878_100015614560 [0,2,0,0,0,0|2,0,0]=4 25015 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)Cl 34a_100000174878_100015614560 [0,2,0,0,0,0|2,0,0]=4 25016 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)F 2230a_100000174948_100015614560 [0,2,0,0,0,0|2,0,0]=4 25017 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)F 34a_100000174948_100015614560 [0,2,0,0,0,0|2,0,0]=4 25018 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)I 2230a_100000106179_100015614560 [0,2,0,0,0,0|2,0,0]=4 25019 B14R1.1025 O[C@@H](CF)CNCc1cccc(c1)I 34a_100000106179_100015614560 [0,2,0,0,0,0|2,0,0]=4 25020 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)Br 34a_100000687537_100015614560 [0,2,0,0,0,0|2,0,0]=4 25021 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)Br 7a_100000687537_100015614560 [0,2,0,0,0,0|2,0,0]=4 25022 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)Cl 34a_100000241301_100015614560 [0,2,0,0,0,0|2,0,0]=4 25023 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)Cl 7a_100000241301_100015614560 [0,2,0,0,0,0|2,0,0]=4 25024 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)F 34a_100000210976_100015614560 [0,2,0,0,0,0|2,0,0]=4 25025 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)F 7a_100000210976_100015614560 [0,2,0,0,0,0|2,0,0]=4 25026 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)I 34a_100011215336_100015614560 [0,2,0,0,0,0|2,0,0]=4 25027 B14R1.1025 O[C@@H](CF)COCc1cccc(c1)I 7a_100011215336_100015614560 [0,2,0,0,0,0|2,0,0]=4 25028 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)Br 62a_100000211773_100015614560 [0,2,0,0,0,0|2,0,0]=4 25029 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)Br 62a_100015614560_100000211773 [0,2,0,0,0,0|2,0,0]=4 25030 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)Cl 62a_100000187163_100015614560 [0,2,0,0,0,0|2,0,0]=4 25031 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)Cl 62a_100015614560_100000187163 [0,2,0,0,0,0|2,0,0]=4 25032 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)F 62a_100000230114_100015614560 [0,2,0,0,0,0|2,0,0]=4 25033 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)F 62a_100015614560_100000230114 [0,2,0,0,0,0|2,0,0]=4 25034 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)I 62a_100011218688_100015614560 [0,2,0,0,0,0|2,0,0]=4 25035 B14R1.1025 O[C@@H](CF)CSCc1cccc(c1)I 62a_100015614560_100011218688 [0,2,0,0,0,0|2,0,0]=4 25036 B14R1.1025 Oc1cccc(c1)CNC[C@@H](O)CF 2230a_100000743036_100015614560 [0,2,0,0,0,0|2,0,0]=4 25037 B14R1.1025 Oc1cccc(c1)CNC[C@@H](O)CF 34a_100000743036_100015614560 [0,2,0,0,0,0|2,0,0]=4 25038 B14R1.1025 Oc1cccc(c1)COCC(Cl)CCl 34a_100000033668_100011660834 [0,2,0,0,0,0|2,0,0]=4 25039 B14R1.1025 Oc1cccc(c1)CSC[C@@H](O)CF 62a_100011660834_100015614560 [0,2,0,0,0,0|2,0,0]=4 25040 B14R1.1025 Oc1cccc(c1)CSC[C@@H](O)CF 62a_100015614560_100011660834 [0,2,0,0,0,0|2,0,0]=4 25041 B14R1.1025 [O-][n+]1cccc(c1)COCC(O)CO 34a_100000037817_100011219619 [0,2,0,0,0,0|2,0,0]=4 25042 B14R1.1025 [O-][n+]1cccc(c1)COCC(O)CO 7a_100000037817_100011219619 [0,2,0,0,0,0|2,0,0]=4 25043 B14R1.1025 [O-][n+]1cccc(c1)COC[C@@H](O)CO 34a_100000037817_100009815848 [0,2,0,0,0,0|2,0,0]=4 25044 B14R1.1025 [O-][n+]1cccc(c1)COC[C@@H](O)CO 7a_100000037817_100009815848 [0,2,0,0,0,0|2,0,0]=4 25045 B14R1.13 CC(CF)OCCc1ccc(cc1)Br 34a_100016041109_100011740612 [0,2,0,0,0,0|2,0,0]=4 25046 B14R1.13 CC(CF)OCCc1ccc(cc1)Br 7a_100016041109_100011740612 [0,2,0,0,0,0|2,0,0]=4 25047 B14R1.13 CC(CF)OCCc1ccc(cc1)Cl 34a_100016041109_100011713675 [0,2,0,0,0,0|2,0,0]=4 25048 B14R1.13 CC(CF)OCCc1ccc(cc1)Cl 7a_100016041109_100011713675 [0,2,0,0,0,0|2,0,0]=4 25049 B14R1.13 CC(CF)OCCc1ccc(cc1)F 34a_100016041109_100011217392 [0,2,0,0,0,0|2,0,0]=4 25050 B14R1.13 CC(CF)OCCc1ccc(cc1)F 7a_100016041109_100011217392 [0,2,0,0,0,0|2,0,0]=4 25051 B14R1.13 CC(CF)OCCc1ccc(cc1)O 7a_100016041109_100009816426 [0,2,0,0,0,0|2,0,0]=4 25052 B14R1.13 CC(CN)COCc1ccc(cc1)Br 34a_100000744482_100000189115 [0,2,0,0,0,0|2,0,0]=4 25053 B14R1.13 CC(CN)COCc1ccc(cc1)Cl 34a_100000744482_100000694040 [0,2,0,0,0,0|2,0,0]=4 25054 B14R1.13 CC(CN)COCc1ccc(cc1)F 34a_100000744482_100000198546 [0,2,0,0,0,0|2,0,0]=4 25055 B14R1.13 CC(CN)COCc1ccc(cc1)I 34a_100000744482_100000189116 [0,2,0,0,0,0|2,0,0]=4 25056 B14R1.13 CC(CN)OCCc1ccc(cc1)Br 34a_100000210904_100011740612 [0,2,0,0,0,0|2,0,0]=4 25057 B14R1.13 CC(CN)OCCc1ccc(cc1)Cl 34a_100000210904_100011713675 [0,2,0,0,0,0|2,0,0]=4 25058 B14R1.13 CC(CN)OCCc1ccc(cc1)F 34a_100000210904_100011217392 [0,2,0,0,0,0|2,0,0]=4 25059 B14R1.13 CC(CO)CCNc1ccc(cn1)Br 27a_106354213184_100000686858 [0,2,0,0,0,0|2,0,0]=4 25060 B14R1.13 CC(CO)CNCc1ccc(cc1)Br 207a_100000744482_100000186029 [0,2,0,0,0,0|1,0,0]=3 25061 B14R1.13 CC(CO)CNCc1ccc(cc1)Br 34a_100000744482_100000189115 [0,2,0,0,0,0|1,0,0]=3 25062 B14R1.13 CC(CO)CNCc1ccc(cc1)Cl 207a_100000744482_100000189385 [0,2,0,0,0,0|1,0,0]=3 25063 B14R1.13 CC(CO)CNCc1ccc(cc1)Cl 34a_100000744482_100000694040 [0,2,0,0,0,0|1,0,0]=3 25064 B14R1.13 CC(CO)CNCc1ccc(cc1)F 207a_100000744482_100000210084 [0,2,0,0,0,0|1,0,0]=3 25065 B14R1.13 CC(CO)CNCc1ccc(cc1)F 34a_100000744482_100000198546 [0,2,0,0,0,0|1,0,0]=3 25066 B14R1.13 CC(CO)CNCc1ccc(cc1)I 207a_100000744482_100000188517 [0,2,0,0,0,0|1,0,0]=3 25067 B14R1.13 CC(CO)CNCc1ccc(cc1)I 34a_100000744482_100000189116 [0,2,0,0,0,0|1,0,0]=3 25068 B14R1.13 CC(CO)CNCc1ccc(cn1)Br 207a_100000744482_100000754260 [0,2,0,0,0,0|2,0,0]=4 25069 B14R1.13 CC(CO)CNCc1ccc(cn1)Br 34a_100000744482_100000702658 [0,2,0,0,0,0|2,0,0]=4 25070 B14R1.13 CC(CO)CNCc1ccc(cn1)Cl 207a_100000744482_100011361569 [0,2,0,0,0,0|2,0,0]=4 25071 B14R1.13 CC(CO)CNCc1ccc(cn1)Cl 34a_100000744482_100012066911 [0,2,0,0,0,0|2,0,0]=4 25072 B14R1.13 CC(CO)CNCc1ccc(cn1)F 207a_100000744482_100011934744 [0,2,0,0,0,0|2,0,0]=4 25073 B14R1.13 CC(CO)CNCc1ccc(cn1)F 34a_100000744482_100000703193 [0,2,0,0,0,0|2,0,0]=4 25074 B14R1.13 CC(CO)CNCc1ccc(nc1)Br 34a_100000744482_100009831999 [0,2,0,0,0,0|2,0,0]=4 25075 B14R1.13 CC(CO)CNCc1ccc(nc1)Cl 34a_100000744482_100000735431 [0,2,0,0,0,0|2,0,0]=4 25076 B14R1.13 CC(CO)CNCc1ccc(nc1)F 34a_100000744482_100000099788 [0,2,0,0,0,0|2,0,0]=4 25077 B14R1.13 CC(CO)CNCc1ccc(nc1)O 207a_100000744482_100011361521 [0,2,0,0,0,0|2,0,0]=4 25078 B14R1.13 CC(CO)NCCc1ccc(cc1)Br 2230a_100000755846_100012180447 [0,2,0,0,0,0|1,0,0]=3 25079 B14R1.13 CC(CO)NCCc1ccc(cc1)Br 34a_100000755846_100012180447 [0,2,0,0,0,0|1,0,0]=3 25080 B14R1.13 CC(CO)NCCc1ccc(cc1)Cl 2230a_100000185265_100012180447 [0,2,0,0,0,0|1,0,0]=3 25081 B14R1.13 CC(CO)NCCc1ccc(cc1)Cl 34a_100000185265_100012180447 [0,2,0,0,0,0|1,0,0]=3 25082 B14R1.13 CC(CO)NCCc1ccc(cc1)F 2230a_100000199005_100012180447 [0,2,0,0,0,0|1,0,0]=3 25083 B14R1.13 CC(CO)NCCc1ccc(cc1)F 34a_100000199005_100012180447 [0,2,0,0,0,0|1,0,0]=3 25084 B14R1.13 CC(CO)NCCc1ccc(cc1)O 34a_100000743037_100012180447 [0,2,0,0,0,0|1,0,0]=3 25085 B14R1.13 CC(CO)OCCc1ccc(cc1)Br 34a_100000766406_100012180447 [0,2,0,0,0,0|1,0,0]=3 25086 B14R1.13 CC(CO)OCCc1ccc(cc1)Br 7a_100000766406_100012180447 [0,2,0,0,0,0|1,0,0]=3 25087 B14R1.13 CC(CO)OCCc1ccc(cc1)Cl 34a_100011219627_100012180447 [0,2,0,0,0,0|1,0,0]=3 25088 B14R1.13 CC(CO)OCCc1ccc(cc1)Cl 7a_100011219627_100012180447 [0,2,0,0,0,0|1,0,0]=3 25089 B14R1.13 CC(CO)OCCc1ccc(cc1)F 34a_100000754732_100012180447 [0,2,0,0,0,0|1,0,0]=3 25090 B14R1.13 CC(CO)OCCc1ccc(cc1)F 7a_100000754732_100012180447 [0,2,0,0,0,0|1,0,0]=3 25091 B14R1.13 CC(CO)OCCc1ccc(cc1)I 34a_100012291149_100012180447 [0,2,0,0,0,0|1,0,0]=3 25092 B14R1.13 CC(CO)OCCc1ccc(cc1)I 7a_100012291149_100012180447 [0,2,0,0,0,0|1,0,0]=3 25093 B14R1.13 CC(CO)OCCc1ccc(cc1)N 34a_100011204434_100012180447 [0,2,0,0,0,0|1,0,0]=3 25094 B14R1.13 CC(CO)OCCc1ccc(cn1)Br 34a_100012357577_100012180447 [0,2,0,0,0,0|2,0,0]=4 25095 B14R1.13 CC(CO)OCCc1ccc(nc1)Cl 34a_100009880866_100012180447 [0,2,0,0,0,0|2,0,0]=4 25096 B14R1.13 CC(CO)OCCc1ccc(nc1)Cl 7a_100009880866_100012180447 [0,2,0,0,0,0|2,0,0]=4 25097 B14R1.13 CC(CO)SCCc1ccc(cc1)Br 62a_100012180447_100011740612 [0,2,0,0,0,0|1,0,0]=3 25098 B14R1.13 CC(CO)SCCc1ccc(cc1)Cl 62a_100012180447_100011713675 [0,2,0,0,0,0|1,0,0]=3 25099 B14R1.13 CC(CO)SCCc1ccc(cc1)F 62a_100012180447_100011217392 [0,2,0,0,0,0|1,0,0]=3 25100 B14R1.13 CC(CO)SCCc1ccc(cc1)O 62a_100012180447_100009816426 [0,2,0,0,0,0|1,0,0]=3 25101 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100000210414_100011713682 [0,2,0,0,0,0|1,0,1]=4 25102 B14R1.13 CCC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_100000210202 [0,2,0,0,0,0|1,0,1]=4 25103 B14R1.13 CCC(=O)CCCc1ccc(cc1)C 1458a_100000741418_100000210202 [0,2,0,0,0,0|1,0,1]=4 25104 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000210414_100000759440 [0,2,0,0,0,0|1,0,1]=4 25105 B14R1.13 CCC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_100000210202 [0,2,0,0,0,0|1,0,1]=4 25106 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100000210414_200011713563 [0,2,0,0,0,0|1,0,1]=4 25107 B14R1.13 CCC(=O)CCCc1ccc(cc1)F 1458a_100011219804_100000210202 [0,2,0,0,0,0|1,0,1]=4 25108 B14R1.13 CCC(=O)CCCc1ccc(cc1)I 1458a_100011236544_100000210202 [0,2,0,0,0,0|1,0,1]=4 25109 B14R1.13 CCC(=O)CCCc1ccc(cc1)O 1458a_100000116853_100000210202 [0,2,0,0,0,0|1,0,1]=4 25110 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 207a_100020588543_100000186029 [0,2,0,0,0,0|2,0,0]=4 25111 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100000748023 [0,2,0,0,0,0|2,0,0]=4 25112 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 2230a_100020588543_100011217064 [0,2,0,0,0,0|2,0,0]=4 25113 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 26a_100020588543_100000185759 [0,2,0,0,0,0|2,0,0]=4 25114 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000243153 [0,2,0,0,0,0|2,0,0]=4 25115 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 270004a_100020588543_100000186029 [0,2,0,0,0,0|2,0,0]=4 25116 B14R1.13 CCC(C)CNCc1ccc(cc1)Br 34a_100000174875_100000748023 [0,2,0,0,0,0|2,0,0]=4 25117 B14R1.13 CCC(C)CNCc1ccc(cc1)C 207a_100020588543_100000211033 [0,2,0,0,0,0|2,0,0]=4 25118 B14R1.13 CCC(C)CNCc1ccc(cc1)C 2230a_100000174908_100000748023 [0,2,0,0,0,0|2,0,0]=4 25119 B14R1.13 CCC(C)CNCc1ccc(cc1)C 2230a_100020588543_100000210814 [0,2,0,0,0,0|2,0,0]=4 25120 B14R1.13 CCC(C)CNCc1ccc(cc1)C 26a_100020588543_200020625495 [0,2,0,0,0,0|2,0,0]=4 25121 B14R1.13 CCC(C)CNCc1ccc(cc1)C 270004a_100000174908_100000243153 [0,2,0,0,0,0|2,0,0]=4 25122 B14R1.13 CCC(C)CNCc1ccc(cc1)C 270004a_100020588543_100000211033 [0,2,0,0,0,0|2,0,0]=4 25123 B14R1.13 CCC(C)CNCc1ccc(cc1)C 34a_100000174908_100000748023 [0,2,0,0,0,0|2,0,0]=4 25124 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 207a_100020588543_100000189385 [0,2,0,0,0,0|2,0,0]=4 25125 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100000748023 [0,2,0,0,0,0|2,0,0]=4 25126 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 2230a_100020588543_100000694040 [0,2,0,0,0,0|2,0,0]=4 25127 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000243153 [0,2,0,0,0,0|2,0,0]=4 25128 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 270004a_100020588543_100000189385 [0,2,0,0,0,0|2,0,0]=4 25129 B14R1.13 CCC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100000748023 [0,2,0,0,0,0|2,0,0]=4 25130 B14R1.13 CCC(C)CNCc1ccc(cc1)F 207a_100020588543_100000210084 [0,2,0,0,0,0|2,0,0]=4 25131 B14R1.13 CCC(C)CNCc1ccc(cc1)F 2230a_100000174882_100000748023 [0,2,0,0,0,0|2,0,0]=4 25132 B14R1.13 CCC(C)CNCc1ccc(cc1)F 2230a_100020588543_100000198546 [0,2,0,0,0,0|2,0,0]=4 25133 B14R1.13 CCC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000243153 [0,2,0,0,0,0|2,0,0]=4 25134 B14R1.13 CCC(C)CNCc1ccc(cc1)F 270004a_100020588543_100000210084 [0,2,0,0,0,0|2,0,0]=4 25135 B14R1.13 CCC(C)CNCc1ccc(cc1)F 34a_100000174882_100000748023 [0,2,0,0,0,0|2,0,0]=4 25136 B14R1.13 CCC(C)CNCc1ccc(cc1)I 207a_100020588543_100000188517 [0,2,0,0,0,0|2,0,0]=4 25137 B14R1.13 CCC(C)CNCc1ccc(cc1)I 2230a_100016989417_100000748023 [0,2,0,0,0,0|2,0,0]=4 25138 B14R1.13 CCC(C)CNCc1ccc(cc1)I 2230a_100020588543_100000189116 [0,2,0,0,0,0|2,0,0]=4 25139 B14R1.13 CCC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000243153 [0,2,0,0,0,0|2,0,0]=4 25140 B14R1.13 CCC(C)CNCc1ccc(cc1)I 34a_100016989417_100000748023 [0,2,0,0,0,0|2,0,0]=4 25141 B14R1.13 CCC(C)CNCc1ccc(cc1)O 34a_100000185549_100000748023 [0,2,0,0,0,0|2,0,0]=4 25142 B14R1.13 CCC(C)COCc1ccc(cc1)Br 34a_100000695286_100000748023 [0,2,0,0,0,0|2,0,0]=4 25143 B14R1.13 CCC(C)COCc1ccc(cc1)C 34a_100011215236_100000748023 [0,2,0,0,0,0|2,0,0]=4 25144 B14R1.13 CCC(C)COCc1ccc(cc1)C 7a_100011215236_100000748023 [0,2,0,0,0,0|2,0,0]=4 25145 B14R1.13 CCC(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748023 [0,2,0,0,0,0|2,0,0]=4 25146 B14R1.13 CCC(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748023 [0,2,0,0,0,0|2,0,0]=4 25147 B14R1.13 CCC(C)COCc1ccc(cc1)F 34a_100000210977_100000748023 [0,2,0,0,0,0|2,0,0]=4 25148 B14R1.13 CCC(C)COCc1ccc(cc1)F 7a_100000210977_100000748023 [0,2,0,0,0,0|2,0,0]=4 25149 B14R1.13 CCC(C)COCc1ccc(cc1)I 34a_100000690907_100000748023 [0,2,0,0,0,0|2,0,0]=4 25150 B14R1.13 CCC(C)COCc1ccc(cc1)I 7a_100000690907_100000748023 [0,2,0,0,0,0|2,0,0]=4 25151 B14R1.13 CCC(C)COCc1ccc(cc1)N 34a_100011215238_100000748023 [0,2,0,0,0,0|2,0,0]=4 25152 B14R1.13 CCC(C)CSCc1ccc(cc1)Br 62a_100000189115_100000748023 [0,2,0,0,0,0|2,0,0]=4 25153 B14R1.13 CCC(C)CSCc1ccc(cc1)Br 62a_100000748023_100000189115 [0,2,0,0,0,0|2,0,0]=4 25154 B14R1.13 CCC(C)CSCc1ccc(cc1)C 62a_100000210814_100000748023 [0,2,0,0,0,0|2,0,0]=4 25155 B14R1.13 CCC(C)CSCc1ccc(cc1)C 62a_100000748023_100000210814 [0,2,0,0,0,0|2,0,0]=4 25156 B14R1.13 CCC(C)CSCc1ccc(cc1)Cl 62a_100000187161_100000748023 [0,2,0,0,0,0|2,0,0]=4 25157 B14R1.13 CCC(C)CSCc1ccc(cc1)Cl 62a_100000748023_100000187161 [0,2,0,0,0,0|2,0,0]=4 25158 B14R1.13 CCC(C)CSCc1ccc(cc1)F 62a_100000198546_100000748023 [0,2,0,0,0,0|2,0,0]=4 25159 B14R1.13 CCC(C)CSCc1ccc(cc1)F 62a_100000748023_100000187164 [0,2,0,0,0,0|2,0,0]=4 25160 B14R1.13 CCC(C)CSCc1ccc(cc1)I 62a_100000189116_100000748023 [0,2,0,0,0,0|2,0,0]=4 25161 B14R1.13 CCC(C)CSCc1ccc(cc1)I 62a_100000748023_100000189116 [0,2,0,0,0,0|2,0,0]=4 25162 B14R1.13 CCC(C)NCCc1ccc(cc1)Br 2230a_100000209981_100011740612 [0,2,0,0,0,0|2,0,0]=4 25163 B14R1.13 CCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000758301 [0,2,0,0,0,0|2,0,0]=4 25164 B14R1.13 CCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100011215416 [0,2,0,0,0,0|2,0,0]=4 25165 B14R1.13 CCC(C)NCCc1ccc(cc1)C 2230a_100000209981_100011713686 [0,2,0,0,0,0|2,0,0]=4 25166 B14R1.13 CCC(C)NCCc1ccc(cc1)C 2230a_100000705350_100000758301 [0,2,0,0,0,0|2,0,0]=4 25167 B14R1.13 CCC(C)NCCc1ccc(cc1)C 34a_100000705350_100011215416 [0,2,0,0,0,0|2,0,0]=4 25168 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000758301 [0,2,0,0,0,0|2,0,0]=4 25169 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 2230a_100000209981_100011713675 [0,2,0,0,0,0|2,0,0]=4 25170 B14R1.13 CCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100011215416 [0,2,0,0,0,0|2,0,0]=4 25171 B14R1.13 CCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000758301 [0,2,0,0,0,0|2,0,0]=4 25172 B14R1.13 CCC(C)NCCc1ccc(cc1)F 2230a_100000209981_100011217392 [0,2,0,0,0,0|2,0,0]=4 25173 B14R1.13 CCC(C)NCCc1ccc(cc1)F 34a_100000199005_100011215416 [0,2,0,0,0,0|2,0,0]=4 25174 B14R1.13 CCC(C)NCCc1ccc(cc1)O 2230a_100000209981_100009816426 [0,2,0,0,0,0|2,0,0]=4 25175 B14R1.13 CCC(C)NCCc1ccc(cc1)O 34a_100000743037_100011215416 [0,2,0,0,0,0|2,0,0]=4 25176 B14R1.13 CCC(C)OCCc1ccc(cc1)Br 34a_100000766406_100011215416 [0,2,0,0,0,0|2,0,0]=4 25177 B14R1.13 CCC(C)OCCc1ccc(cc1)Br 7a_100000210228_100011740612 [0,2,0,0,0,0|2,0,0]=4 25178 B14R1.13 CCC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000758301 [0,2,0,0,0,0|2,0,0]=4 25179 B14R1.13 CCC(C)OCCc1ccc(cc1)C 34a_100000756670_100011215416 [0,2,0,0,0,0|2,0,0]=4 25180 B14R1.13 CCC(C)OCCc1ccc(cc1)C 7a_100000210228_100011713686 [0,2,0,0,0,0|2,0,0]=4 25181 B14R1.13 CCC(C)OCCc1ccc(cc1)C 7a_100000756670_100000758301 [0,2,0,0,0,0|2,0,0]=4 25182 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100011215416 [0,2,0,0,0,0|2,0,0]=4 25183 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 7a_100000210228_100011713675 [0,2,0,0,0,0|2,0,0]=4 25184 B14R1.13 CCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000758301 [0,2,0,0,0,0|2,0,0]=4 25185 B14R1.13 CCC(C)OCCc1ccc(cc1)F 34a_100000754732_100011215416 [0,2,0,0,0,0|2,0,0]=4 25186 B14R1.13 CCC(C)OCCc1ccc(cc1)F 7a_100000210228_100011217392 [0,2,0,0,0,0|2,0,0]=4 25187 B14R1.13 CCC(C)OCCc1ccc(cc1)F 7a_100000754732_100000758301 [0,2,0,0,0,0|2,0,0]=4 25188 B14R1.13 CCC(C)OCCc1ccc(cc1)I 34a_100012291149_100011215416 [0,2,0,0,0,0|2,0,0]=4 25189 B14R1.13 CCC(C)OCCc1ccc(cc1)I 7a_100012291149_100000758301 [0,2,0,0,0,0|2,0,0]=4 25190 B14R1.13 CCC(C)OCCc1ccc(cc1)N 34a_100011204434_100011215416 [0,2,0,0,0,0|2,0,0]=4 25191 B14R1.13 CCC(C)OCCc1ccc(cc1)O 7a_100000210228_100009816426 [0,2,0,0,0,0|2,0,0]=4 25192 B14R1.13 CCC(C)SCCc1ccc(cc1)Br 62a_100000758301_100011740612 [0,2,0,0,0,0|2,0,0]=4 25193 B14R1.13 CCC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000758301 [0,2,0,0,0,0|2,0,0]=4 25194 B14R1.13 CCC(C)SCCc1ccc(cc1)C 62a_100000758301_100011713686 [0,2,0,0,0,0|2,0,0]=4 25195 B14R1.13 CCC(C)SCCc1ccc(cc1)C 62a_100011713686_100000758301 [0,2,0,0,0,0|2,0,0]=4 25196 B14R1.13 CCC(C)SCCc1ccc(cc1)Cl 62a_100000758301_100011713675 [0,2,0,0,0,0|2,0,0]=4 25197 B14R1.13 CCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000758301 [0,2,0,0,0,0|2,0,0]=4 25198 B14R1.13 CCC(C)SCCc1ccc(cc1)F 62a_100000758301_100011217392 [0,2,0,0,0,0|2,0,0]=4 25199 B14R1.13 CCC(C)SCCc1ccc(cc1)F 62a_100011217392_100000758301 [0,2,0,0,0,0|2,0,0]=4 25200 B14R1.13 CCC(C)SCCc1ccc(cc1)O 62a_100000758301_100009816426 [0,2,0,0,0,0|2,0,0]=4 25201 B14R1.13 CCC(C)SCCc1ccc(cc1)O 62a_100009816426_100000758301 [0,2,0,0,0,0|2,0,0]=4 25202 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 207a_100011218483_100000186029 [0,2,0,0,0,0|2,0,0]=4 25203 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011218378 [0,2,0,0,0,0|2,0,0]=4 25204 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 2230a_100011218483_100011217064 [0,2,0,0,0,0|2,0,0]=4 25205 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 270004a_100011218483_100000186029 [0,2,0,0,0,0|2,0,0]=4 25206 B14R1.13 CCC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011218378 [0,2,0,0,0,0|2,0,0]=4 25207 B14R1.13 CCC(O)CNCc1ccc(cc1)C 207a_100011218483_100000211033 [0,2,0,0,0,0|2,0,0]=4 25208 B14R1.13 CCC(O)CNCc1ccc(cc1)C 2230a_100000174908_100011218378 [0,2,0,0,0,0|2,0,0]=4 25209 B14R1.13 CCC(O)CNCc1ccc(cc1)C 2230a_100011218483_100000210814 [0,2,0,0,0,0|2,0,0]=4 25210 B14R1.13 CCC(O)CNCc1ccc(cc1)C 270004a_100011218483_100000211033 [0,2,0,0,0,0|2,0,0]=4 25211 B14R1.13 CCC(O)CNCc1ccc(cc1)C 34a_100000174908_100011218378 [0,2,0,0,0,0|2,0,0]=4 25212 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 207a_100011218483_100000189385 [0,2,0,0,0,0|2,0,0]=4 25213 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011218378 [0,2,0,0,0,0|2,0,0]=4 25214 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 2230a_100011218483_100000694040 [0,2,0,0,0,0|2,0,0]=4 25215 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 270004a_100011218483_100000189385 [0,2,0,0,0,0|2,0,0]=4 25216 B14R1.13 CCC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011218378 [0,2,0,0,0,0|2,0,0]=4 25217 B14R1.13 CCC(O)CNCc1ccc(cc1)F 207a_100011218483_100000210084 [0,2,0,0,0,0|2,0,0]=4 25218 B14R1.13 CCC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011218378 [0,2,0,0,0,0|2,0,0]=4 25219 B14R1.13 CCC(O)CNCc1ccc(cc1)F 2230a_100011218483_100000198546 [0,2,0,0,0,0|2,0,0]=4 25220 B14R1.13 CCC(O)CNCc1ccc(cc1)F 270004a_100011218483_100000210084 [0,2,0,0,0,0|2,0,0]=4 25221 B14R1.13 CCC(O)CNCc1ccc(cc1)F 34a_100000174882_100011218378 [0,2,0,0,0,0|2,0,0]=4 25222 B14R1.13 CCC(O)CNCc1ccc(cc1)I 207a_100011218483_100000188517 [0,2,0,0,0,0|2,0,0]=4 25223 B14R1.13 CCC(O)CNCc1ccc(cc1)I 2230a_100011218483_100000189116 [0,2,0,0,0,0|2,0,0]=4 25224 B14R1.13 CCC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011218378 [0,2,0,0,0,0|2,0,0]=4 25225 B14R1.13 CCC(O)CNCc1ccc(cc1)I 34a_100016989417_100011218378 [0,2,0,0,0,0|2,0,0]=4 25226 B14R1.13 CCC(O)CNCc1ccc(cc1)O 34a_100000185549_100011218378 [0,2,0,0,0,0|2,0,0]=4 25227 B14R1.13 CCC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218378 [0,2,0,0,0,0|2,0,0]=4 25228 B14R1.13 CCC(O)COCc1ccc(cc1)C 34a_100011215236_100011218378 [0,2,0,0,0,0|2,0,0]=4 25229 B14R1.13 CCC(O)COCc1ccc(cc1)C 7a_100011215236_100011218378 [0,2,0,0,0,0|2,0,0]=4 25230 B14R1.13 CCC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218378 [0,2,0,0,0,0|2,0,0]=4 25231 B14R1.13 CCC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218378 [0,2,0,0,0,0|2,0,0]=4 25232 B14R1.13 CCC(O)COCc1ccc(cc1)F 34a_100000210977_100011218378 [0,2,0,0,0,0|2,0,0]=4 25233 B14R1.13 CCC(O)COCc1ccc(cc1)F 7a_100000210977_100011218378 [0,2,0,0,0,0|2,0,0]=4 25234 B14R1.13 CCC(O)COCc1ccc(cc1)I 34a_100000690907_100011218378 [0,2,0,0,0,0|2,0,0]=4 25235 B14R1.13 CCC(O)COCc1ccc(cc1)I 7a_100000690907_100011218378 [0,2,0,0,0,0|2,0,0]=4 25236 B14R1.13 CCC(O)COCc1ccc(cc1)N 34a_100011215238_100011218378 [0,2,0,0,0,0|2,0,0]=4 25237 B14R1.13 CCC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011218378 [0,2,0,0,0,0|2,0,0]=4 25238 B14R1.13 CCC(O)CSCc1ccc(cc1)Br 62a_100011218378_100000189115 [0,2,0,0,0,0|2,0,0]=4 25239 B14R1.13 CCC(O)CSCc1ccc(cc1)C 62a_100000210814_100011218378 [0,2,0,0,0,0|2,0,0]=4 25240 B14R1.13 CCC(O)CSCc1ccc(cc1)C 62a_100011218378_100000210814 [0,2,0,0,0,0|2,0,0]=4 25241 B14R1.13 CCC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011218378 [0,2,0,0,0,0|2,0,0]=4 25242 B14R1.13 CCC(O)CSCc1ccc(cc1)Cl 62a_100011218378_100000187161 [0,2,0,0,0,0|2,0,0]=4 25243 B14R1.13 CCC(O)CSCc1ccc(cc1)F 62a_100000198546_100011218378 [0,2,0,0,0,0|2,0,0]=4 25244 B14R1.13 CCC(O)CSCc1ccc(cc1)F 62a_100011218378_100000187164 [0,2,0,0,0,0|2,0,0]=4 25245 B14R1.13 CCC(O)CSCc1ccc(cc1)I 62a_100000189116_100011218378 [0,2,0,0,0,0|2,0,0]=4 25246 B14R1.13 CCC(O)CSCc1ccc(cc1)I 62a_100011218378_100000189116 [0,2,0,0,0,0|2,0,0]=4 25247 B14R1.13 CCN(C)CCCc1ccc(cc1)Br 2230a_100000225621_100011713682 [0,2,0,0,0,0|2,0,0]=4 25248 B14R1.13 CCN(C)CCCc1ccc(cc1)Br 269982a_100000225621_100011713682 [0,2,0,0,0,0|2,0,0]=4 25249 B14R1.13 CCN(C)CCCc1ccc(cc1)Cl 2230a_100000225621_100000759440 [0,2,0,0,0,0|2,0,0]=4 25250 B14R1.13 CCN(C)CCCc1ccc(cc1)Cl 269982a_100000225621_100000759440 [0,2,0,0,0,0|2,0,0]=4 25251 B14R1.13 CCN(C)CCCc1ccc(cc1)F 2230a_100000225621_200011713563 [0,2,0,0,0,0|2,0,0]=4 25252 B14R1.13 CCN(C)CCCc1ccc(cc1)F 269982a_100000225621_200011713563 [0,2,0,0,0,0|2,0,0]=4 25253 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Br 2230a_100000174875_100009816398 [0,2,0,0,0,0|2,0,0]=4 25254 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Br 34a_100000174875_100009816398 [0,2,0,0,0,0|2,0,0]=4 25255 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)C 2230a_100000174908_100009816398 [0,2,0,0,0,0|2,0,0]=4 25256 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)C 34a_100000174908_100009816398 [0,2,0,0,0,0|2,0,0]=4 25257 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Cl 2230a_100000174871_100009816398 [0,2,0,0,0,0|2,0,0]=4 25258 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)Cl 34a_100000174871_100009816398 [0,2,0,0,0,0|2,0,0]=4 25259 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)F 2230a_100000174882_100009816398 [0,2,0,0,0,0|2,0,0]=4 25260 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)F 34a_100000174882_100009816398 [0,2,0,0,0,0|2,0,0]=4 25261 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)I 2230a_100016989417_100009816398 [0,2,0,0,0,0|2,0,0]=4 25262 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)I 34a_100016989417_100009816398 [0,2,0,0,0,0|2,0,0]=4 25263 B14R1.13 CC[C@H](C)CNCc1ccc(cc1)O 34a_100000185549_100009816398 [0,2,0,0,0,0|2,0,0]=4 25264 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Br 34a_100000695286_100009816398 [0,2,0,0,0,0|2,0,0]=4 25265 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Br 7a_100009816381_100011217064 [0,2,0,0,0,0|2,0,0]=4 25266 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 34a_100011215236_100009816398 [0,2,0,0,0,0|2,0,0]=4 25267 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 7a_100009816381_100000210814 [0,2,0,0,0,0|2,0,0]=4 25268 B14R1.13 CC[C@H](C)COCc1ccc(cc1)C 7a_100011215236_100009816398 [0,2,0,0,0,0|2,0,0]=4 25269 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 34a_100000211118_100009816398 [0,2,0,0,0,0|2,0,0]=4 25270 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 7a_100000211118_100009816398 [0,2,0,0,0,0|2,0,0]=4 25271 B14R1.13 CC[C@H](C)COCc1ccc(cc1)Cl 7a_100009816381_100000187161 [0,2,0,0,0,0|2,0,0]=4 25272 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 34a_100000210977_100009816398 [0,2,0,0,0,0|2,0,0]=4 25273 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 7a_100000210977_100009816398 [0,2,0,0,0,0|2,0,0]=4 25274 B14R1.13 CC[C@H](C)COCc1ccc(cc1)F 7a_100009816381_100000198546 [0,2,0,0,0,0|2,0,0]=4 25275 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 34a_100000690907_100009816398 [0,2,0,0,0,0|2,0,0]=4 25276 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 7a_100000690907_100009816398 [0,2,0,0,0,0|2,0,0]=4 25277 B14R1.13 CC[C@H](C)COCc1ccc(cc1)I 7a_100009816381_100000189116 [0,2,0,0,0,0|2,0,0]=4 25278 B14R1.13 CC[C@H](C)COCc1ccc(cc1)N 34a_100011215238_100009816398 [0,2,0,0,0,0|2,0,0]=4 25279 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Br 62a_100000189115_100009816398 [0,2,0,0,0,0|2,0,0]=4 25280 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Br 62a_100009816398_100000189115 [0,2,0,0,0,0|2,0,0]=4 25281 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)C 62a_100000210814_100009816398 [0,2,0,0,0,0|2,0,0]=4 25282 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)C 62a_100009816398_100000210814 [0,2,0,0,0,0|2,0,0]=4 25283 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Cl 62a_100000187161_100009816398 [0,2,0,0,0,0|2,0,0]=4 25284 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)Cl 62a_100009816398_100000187161 [0,2,0,0,0,0|2,0,0]=4 25285 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)F 62a_100000198546_100009816398 [0,2,0,0,0,0|2,0,0]=4 25286 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)F 62a_100009816398_100000187164 [0,2,0,0,0,0|2,0,0]=4 25287 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)I 62a_100000189116_100009816398 [0,2,0,0,0,0|2,0,0]=4 25288 B14R1.13 CC[C@H](C)CSCc1ccc(cc1)I 62a_100009816398_100000189116 [0,2,0,0,0,0|2,0,0]=4 25289 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Br 2230a_100000174875_100000059175 [0,2,0,0,0,0|1,0,0]=3 25290 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Br 34a_100000174875_100000059175 [0,2,0,0,0,0|1,0,0]=3 25291 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Cl 2230a_100000174871_100000059175 [0,2,0,0,0,0|1,0,0]=3 25292 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)Cl 34a_100000174871_100000059175 [0,2,0,0,0,0|1,0,0]=3 25293 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)F 2230a_100000174882_100000059175 [0,2,0,0,0,0|1,0,0]=3 25294 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)F 34a_100000174882_100000059175 [0,2,0,0,0,0|1,0,0]=3 25295 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)I 2230a_100016989417_100000059175 [0,2,0,0,0,0|1,0,0]=3 25296 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)I 34a_100016989417_100000059175 [0,2,0,0,0,0|1,0,0]=3 25297 B14R1.13 C[C@@H](CO)CNCc1ccc(cc1)O 34a_100000185549_100000059175 [0,2,0,0,0,0|1,0,0]=3 25298 B14R1.13 C[C@@H](CO)CNCc1ccc(cn1)Br 34a_100015188789_100000059175 [0,2,0,0,0,0|2,0,0]=4 25299 B14R1.13 C[C@@H](CO)CNCc1ccc(cn1)Cl 34a_100000697193_100000059175 [0,2,0,0,0,0|2,0,0]=4 25300 B14R1.13 C[C@@H](CO)CNCc1ccc(cn1)F 34a_100020620131_100000059175 [0,2,0,0,0,0|2,0,0]=4 25301 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)Br 2230a_100009817727_100000059175 [0,2,0,0,0,0|2,0,0]=4 25302 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)Br 34a_100009817727_100000059175 [0,2,0,0,0,0|2,0,0]=4 25303 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)Cl 2230a_100000735879_100000059175 [0,2,0,0,0,0|2,0,0]=4 25304 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)Cl 34a_100000735879_100000059175 [0,2,0,0,0,0|2,0,0]=4 25305 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)F 2230a_100000101913_100000059175 [0,2,0,0,0,0|2,0,0]=4 25306 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)F 34a_100000101913_100000059175 [0,2,0,0,0,0|2,0,0]=4 25307 B14R1.13 C[C@@H](CO)CNCc1ccc(nc1)O 2230a_100000757128_100000059175 [0,2,0,0,0,0|2,0,0]=4 25308 B14R1.13 C[C@@H](CO)COCc1cc[n+](cc1)C 34a_100009831711_100000059175 [0,2,0,0,0,0|2,0,0]=4 25309 B14R1.13 C[C@@H](CO)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000059175 [0,2,0,0,0,0|2,0,0]=4 25310 B14R1.13 C[C@@H](CO)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000059175 [0,2,0,0,0,0|2,0,0]=4 25311 B14R1.13 C[C@@H](CO)COCc1ccc(=O)[nH]c1 34a_100011999846_100000059175 [0,2,0,0,0,0|2,0,0]=4 25312 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Br 34a_100000695286_100000059175 [0,2,0,0,0,0|1,0,0]=3 25313 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Cl 34a_100000211118_100000059175 [0,2,0,0,0,0|1,0,0]=3 25314 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)Cl 7a_100000211118_100000059175 [0,2,0,0,0,0|1,0,0]=3 25315 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)F 34a_100000210977_100000059175 [0,2,0,0,0,0|1,0,0]=3 25316 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)F 7a_100000210977_100000059175 [0,2,0,0,0,0|1,0,0]=3 25317 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)I 34a_100000690907_100000059175 [0,2,0,0,0,0|1,0,0]=3 25318 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)I 7a_100000690907_100000059175 [0,2,0,0,0,0|1,0,0]=3 25319 B14R1.13 C[C@@H](CO)COCc1ccc(cc1)N 34a_100011215238_100000059175 [0,2,0,0,0,0|1,0,0]=3 25320 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)Br 34a_100000754261_100000059175 [0,2,0,0,0,0|2,0,0]=4 25321 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)Cl 34a_100000703999_100000059175 [0,2,0,0,0,0|2,0,0]=4 25322 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)F 34a_100011999454_100000059175 [0,2,0,0,0,0|2,0,0]=4 25323 B14R1.13 C[C@@H](CO)COCc1ccc(cn1)N 34a_100011998161_100000059175 [0,2,0,0,0,0|2,0,0]=4 25324 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Br 34a_100009816760_100000059175 [0,2,0,0,0,0|2,0,0]=4 25325 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Br 7a_100009816760_100000059175 [0,2,0,0,0,0|2,0,0]=4 25326 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Cl 34a_100000755211_100000059175 [0,2,0,0,0,0|2,0,0]=4 25327 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)Cl 7a_100000755211_100000059175 [0,2,0,0,0,0|2,0,0]=4 25328 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)F 34a_100000079959_100000059175 [0,2,0,0,0,0|2,0,0]=4 25329 B14R1.13 C[C@@H](CO)COCc1ccc(nc1)N 34a_100000704267_100000059175 [0,2,0,0,0,0|2,0,0]=4 25330 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000059175_100000189115 [0,2,0,0,0,0|1,0,0]=3 25331 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Br 62a_100000189115_100000059175 [0,2,0,0,0,0|1,0,0]=3 25332 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000059175_100000187161 [0,2,0,0,0,0|1,0,0]=3 25333 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)Cl 62a_100000187161_100000059175 [0,2,0,0,0,0|1,0,0]=3 25334 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000059175_100000187164 [0,2,0,0,0,0|1,0,0]=3 25335 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)F 62a_100000198546_100000059175 [0,2,0,0,0,0|1,0,0]=3 25336 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000059175_100000189116 [0,2,0,0,0,0|1,0,0]=3 25337 B14R1.13 C[C@@H](CO)CSCc1ccc(cc1)I 62a_100000189116_100000059175 [0,2,0,0,0,0|1,0,0]=3 25338 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)Br 62a_100000059175_100000702658 [0,2,0,0,0,0|2,0,0]=4 25339 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)Br 62a_100000702658_100000059175 [0,2,0,0,0,0|2,0,0]=4 25340 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)Cl 62a_100000059175_100000697101 [0,2,0,0,0,0|2,0,0]=4 25341 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)Cl 62a_100012066911_100000059175 [0,2,0,0,0,0|2,0,0]=4 25342 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)F 62a_100000059175_100000703193 [0,2,0,0,0,0|2,0,0]=4 25343 B14R1.13 C[C@@H](CO)CSCc1ccc(cn1)F 62a_100000703193_100000059175 [0,2,0,0,0,0|2,0,0]=4 25344 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)Br 62a_100000059175_100009831999 [0,2,0,0,0,0|2,0,0]=4 25345 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)Br 62a_100009831999_100000059175 [0,2,0,0,0,0|2,0,0]=4 25346 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)Cl 62a_100000059175_100000735431 [0,2,0,0,0,0|2,0,0]=4 25347 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)Cl 62a_100000735431_100000059175 [0,2,0,0,0,0|2,0,0]=4 25348 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)F 62a_100000059175_100000099788 [0,2,0,0,0,0|2,0,0]=4 25349 B14R1.13 C[C@@H](CO)CSCc1ccc(nc1)F 62a_100009820150_100000059175 [0,2,0,0,0,0|2,0,0]=4 25350 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)Br 2230a_100000737577_100011740612 [0,2,0,0,0,0|1,0,0]=3 25351 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)Cl 2230a_100000737577_100011713675 [0,2,0,0,0,0|1,0,0]=3 25352 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)F 2230a_100000737577_100011217392 [0,2,0,0,0,0|1,0,0]=3 25353 B14R1.13 C[C@H](CO)NCCc1ccc(cc1)O 2230a_100000737577_100009816426 [0,2,0,0,0,0|1,0,0]=3 25354 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Br 62a_100011740612_100016084084 [0,2,0,0,0,0|1,0,0]=3 25355 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Br 62a_100016084084_100011740612 [0,2,0,0,0,0|1,0,0]=3 25356 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Cl 62a_100011713675_100016084084 [0,2,0,0,0,0|1,0,0]=3 25357 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)Cl 62a_100016084084_100011713675 [0,2,0,0,0,0|1,0,0]=3 25358 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)F 62a_100011217392_100016084084 [0,2,0,0,0,0|1,0,0]=3 25359 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)F 62a_100016084084_100011217392 [0,2,0,0,0,0|1,0,0]=3 25360 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)O 62a_100009816426_100016084084 [0,2,0,0,0,0|1,0,0]=3 25361 B14R1.13 C[C@H](CO)SCCc1ccc(cc1)O 62a_100016084084_100009816426 [0,2,0,0,0,0|1,0,0]=3 25362 B14R1.13 C[n+]1ccc(cc1)COCC(O)CO 34a_100009831711_100011219619 [0,2,0,0,0,0|2,0,0]=4 25363 B14R1.13 C[n+]1ccc(cc1)COC[C@@H](O)CO 34a_100009831711_100009815848 [0,2,0,0,0,0|2,0,0]=4 25364 B14R1.13 Cc1ccc(cc1)CCCC(=O)CF 1458a_100000741418_100015361967 [0,2,0,0,0,0|1,0,1]=4 25365 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO 240690a_100000705350_100000210174 [0,2,0,0,0,0|1,0,1]=4 25366 B14R1.13 Cc1ccc(cc1)CCNC(=O)CO 527a_100000705350_100000210174 [0,2,0,0,0,0|1,0,1]=4 25367 B14R1.13 Cc1ccc(cc1)CCNC(C)CO 2230a_100000705350_100012180447 [0,2,0,0,0,0|1,0,0]=3 25368 B14R1.13 Cc1ccc(cc1)CCNC(C)CO 34a_100000705350_100012180447 [0,2,0,0,0,0|1,0,0]=3 25369 B14R1.13 Cc1ccc(cc1)CCN[C@H](C)CO 2230a_100000737577_100011713686 [0,2,0,0,0,0|1,0,0]=3 25370 B14R1.13 Cc1ccc(cc1)CCOC(C)CF 34a_100016041109_100011713686 [0,2,0,0,0,0|2,0,0]=4 25371 B14R1.13 Cc1ccc(cc1)CCOC(C)CF 7a_100016041109_100011713686 [0,2,0,0,0,0|2,0,0]=4 25372 B14R1.13 Cc1ccc(cc1)CCOC(C)CN 34a_100000210904_100011713686 [0,2,0,0,0,0|2,0,0]=4 25373 B14R1.13 Cc1ccc(cc1)CCOC(C)CO 34a_100000756670_100012180447 [0,2,0,0,0,0|1,0,0]=3 25374 B14R1.13 Cc1ccc(cc1)CCOC(C)CO 7a_100000756670_100012180447 [0,2,0,0,0,0|1,0,0]=3 25375 B14R1.13 Cc1ccc(cc1)CCSC(C)CO 62a_100012180447_100011713686 [0,2,0,0,0,0|1,0,0]=3 25376 B14R1.13 Cc1ccc(cc1)CCS[C@H](C)CO 62a_100011713686_100016084084 [0,2,0,0,0,0|1,0,0]=3 25377 B14R1.13 Cc1ccc(cc1)CCS[C@H](C)CO 62a_100016084084_100011713686 [0,2,0,0,0,0|1,0,0]=3 25378 B14R1.13 Cc1ccc(cc1)CNCC(C)CO 207a_100000744482_100000211033 [0,2,0,0,0,0|1,0,0]=3 25379 B14R1.13 Cc1ccc(cc1)CNCC(C)CO 34a_100000744482_100000210814 [0,2,0,0,0,0|1,0,0]=3 25380 B14R1.13 Cc1ccc(cc1)CNCC(O)CO 2230a_100000174908_100011219619 [0,2,0,0,0,0|1,0,0]=3 25381 B14R1.13 Cc1ccc(cc1)CNCC(O)CO 34a_100000174908_100011219619 [0,2,0,0,0,0|1,0,0]=3 25382 B14R1.13 Cc1ccc(cc1)CNC[C@@H](C)CO 2230a_100000174908_100000059175 [0,2,0,0,0,0|1,0,0]=3 25383 B14R1.13 Cc1ccc(cc1)CNC[C@@H](C)CO 34a_100000174908_100000059175 [0,2,0,0,0,0|1,0,0]=3 25384 B14R1.13 Cc1ccc(cc1)CNC[C@@H](F)CO 207a_100015665980_100000211033 [0,2,0,0,0,0|1,0,0]=3 25385 B14R1.13 Cc1ccc(cc1)CNC[C@@H](F)CO 270004a_100015665980_100000211033 [0,2,0,0,0,0|1,0,0]=3 25386 B14R1.13 Cc1ccc(cc1)CNC[C@@H](F)CO 34a_100015665980_100000210814 [0,2,0,0,0,0|1,0,0]=3 25387 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CF 2230a_100000174908_100015614560 [0,2,0,0,0,0|2,0,0]=4 25388 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CF 34a_100000174908_100015614560 [0,2,0,0,0,0|2,0,0]=4 25389 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CO 2230a_100000174908_100009815848 [0,2,0,0,0,0|1,0,0]=3 25390 B14R1.13 Cc1ccc(cc1)CNC[C@@H](O)CO 34a_100000174908_100009815848 [0,2,0,0,0,0|1,0,0]=3 25391 B14R1.13 Cc1ccc(cc1)CNC[C@H](O)CO 207a_100020644852_100000211033 [0,2,0,0,0,0|1,0,0]=3 25392 B14R1.13 Cc1ccc(cc1)CNC[C@H](O)CO 2230a_100020644852_100000210814 [0,2,0,0,0,0|1,0,0]=3 25393 B14R1.13 Cc1ccc(cc1)COCC(C)CN 34a_100000744482_100000210814 [0,2,0,0,0,0|2,0,0]=4 25394 B14R1.13 Cc1ccc(cc1)COCC(Cl)CCl 34a_100000033668_100000210814 [0,2,0,0,0,0|2,0,0]=4 25395 B14R1.13 Cc1ccc(cc1)COCC(O)CO 34a_100011215236_100011219619 [0,2,0,0,0,0|1,0,0]=3 25396 B14R1.13 Cc1ccc(cc1)COCC(O)CO 7a_100011215236_100011219619 [0,2,0,0,0,0|1,0,0]=3 25397 B14R1.13 Cc1ccc(cc1)COC[C@@H](C)CO 34a_100011215236_100000059175 [0,2,0,0,0,0|1,0,0]=3 25398 B14R1.13 Cc1ccc(cc1)COC[C@@H](C)CO 7a_100011215236_100000059175 [0,2,0,0,0,0|1,0,0]=3 25399 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CF 34a_100011215236_100015614560 [0,2,0,0,0,0|2,0,0]=4 25400 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CF 7a_100011215236_100015614560 [0,2,0,0,0,0|2,0,0]=4 25401 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CO 34a_100011215236_100009815848 [0,2,0,0,0,0|1,0,0]=3 25402 B14R1.13 Cc1ccc(cc1)COC[C@@H](O)CO 7a_100011215236_100009815848 [0,2,0,0,0,0|1,0,0]=3 25403 B14R1.13 Cc1ccc(cc1)COC[C@H](F)CN 34a_100015665980_100000210814 [0,2,0,0,0,0|2,0,0]=4 25404 B14R1.13 Cc1ccc(cc1)CSCC(O)CO 62a_100000210814_100011219619 [0,2,0,0,0,0|1,0,0]=3 25405 B14R1.13 Cc1ccc(cc1)CSCC(O)CO 62a_100011219619_100000210814 [0,2,0,0,0,0|1,0,0]=3 25406 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000059175_100000210814 [0,2,0,0,0,0|1,0,0]=3 25407 B14R1.13 Cc1ccc(cc1)CSC[C@@H](C)CO 62a_100000210814_100000059175 [0,2,0,0,0,0|1,0,0]=3 25408 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CF 62a_100000210814_100015614560 [0,2,0,0,0,0|2,0,0]=4 25409 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CF 62a_100015614560_100000210814 [0,2,0,0,0,0|2,0,0]=4 25410 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100000210814_100009815848 [0,2,0,0,0,0|1,0,0]=3 25411 B14R1.13 Cc1ccc(cc1)CSC[C@@H](O)CO 62a_100009815848_100000210814 [0,2,0,0,0,0|1,0,0]=3 25412 B14R1.13 Cc1ccc(cc1)OCCC(=O)CO 1458a_100000210174_100000183172 [0,2,0,0,0,0|1,0,1]=4 25413 B14R1.13 Cc1ccc(cn1)CCOC(C)CO 34a_100011815783_100012180447 [0,2,0,0,0,0|2,0,0]=4 25414 B14R1.13 Cc1ccc(cn1)CNCC(C)CO 34a_100000744482_100016987292 [0,2,0,0,0,0|2,0,0]=4 25415 B14R1.13 Cc1ccc(cn1)CNCC(O)CO 34a_100000740942_100011219619 [0,2,0,0,0,0|2,0,0]=4 25416 B14R1.13 Cc1ccc(cn1)CNC[C@@H](C)CO 34a_100000740942_100000059175 [0,2,0,0,0,0|2,0,0]=4 25417 B14R1.13 Cc1ccc(cn1)CNC[C@@H](F)CO 270004a_100015665980_100000743784 [0,2,0,0,0,0|2,0,0]=4 25418 B14R1.13 Cc1ccc(cn1)CNC[C@@H](F)CO 34a_100015665980_100016987292 [0,2,0,0,0,0|2,0,0]=4 25419 B14R1.13 Cc1ccc(cn1)CNC[C@@H](O)CO 34a_100000740942_100009815848 [0,2,0,0,0,0|2,0,0]=4 25420 B14R1.13 Cc1ccc(cn1)CNC[C@H](O)CO 2230a_100020644852_100016987292 [0,2,0,0,0,0|2,0,0]=4 25421 B14R1.13 Cc1ccc(cn1)COCC(O)CO 34a_100011248133_100011219619 [0,2,0,0,0,0|2,0,0]=4 25422 B14R1.13 Cc1ccc(cn1)COC[C@@H](C)CO 34a_100011248133_100000059175 [0,2,0,0,0,0|2,0,0]=4 25423 B14R1.13 Cc1ccc(cn1)COC[C@@H](O)CO 34a_100011248133_100009815848 [0,2,0,0,0,0|2,0,0]=4 25424 B14R1.13 Cc1ccc(cn1)CSCC(O)CO 62a_100011219619_100016987292 [0,2,0,0,0,0|2,0,0]=4 25425 B14R1.13 Cc1ccc(cn1)CSCC(O)CO 62a_100016987292_100011219619 [0,2,0,0,0,0|2,0,0]=4 25426 B14R1.13 Cc1ccc(cn1)CSC[C@@H](C)CO 62a_100000059175_100016987292 [0,2,0,0,0,0|2,0,0]=4 25427 B14R1.13 Cc1ccc(cn1)CSC[C@@H](C)CO 62a_100016987292_100000059175 [0,2,0,0,0,0|2,0,0]=4 25428 B14R1.13 Cc1ccc(cn1)CSC[C@@H](O)CO 62a_100009815848_100016987292 [0,2,0,0,0,0|2,0,0]=4 25429 B14R1.13 Cc1ccc(cn1)CSC[C@@H](O)CO 62a_100016987292_100009815848 [0,2,0,0,0,0|2,0,0]=4 25430 B14R1.13 Cc1ccc(nc1)CNCC(C)CO 207a_100000744482_100000050478 [0,2,0,0,0,0|2,0,0]=4 25431 B14R1.13 Cc1ccc(nc1)CNCC(C)CO 34a_100000744482_100000691093 [0,2,0,0,0,0|2,0,0]=4 25432 B14R1.13 Cc1ccc(nc1)CNCC(O)CO 34a_100015187455_100011219619 [0,2,0,0,0,0|2,0,0]=4 25433 B14R1.13 Cc1ccc(nc1)CNC[C@@H](C)CO 34a_100015187455_100000059175 [0,2,0,0,0,0|2,0,0]=4 25434 B14R1.13 Cc1ccc(nc1)CNC[C@@H](F)CO 207a_100015665980_100000050478 [0,2,0,0,0,0|2,0,0]=4 25435 B14R1.13 Cc1ccc(nc1)CNC[C@@H](F)CO 270004a_100015665980_100000050478 [0,2,0,0,0,0|2,0,0]=4 25436 B14R1.13 Cc1ccc(nc1)CNC[C@@H](F)CO 34a_100015665980_100000691093 [0,2,0,0,0,0|2,0,0]=4 25437 B14R1.13 Cc1ccc(nc1)CNC[C@@H](O)CO 34a_100015187455_100009815848 [0,2,0,0,0,0|2,0,0]=4 25438 B14R1.13 Cc1ccc(nc1)CNC[C@H](O)CO 207a_100020644852_100000050478 [0,2,0,0,0,0|2,0,0]=4 25439 B14R1.13 Cc1ccc(nc1)CNC[C@H](O)CO 2230a_100020644852_100000691093 [0,2,0,0,0,0|2,0,0]=4 25440 B14R1.13 Cc1ccc(nc1)COCC(O)CO 34a_100012001401_100011219619 [0,2,0,0,0,0|2,0,0]=4 25441 B14R1.13 Cc1ccc(nc1)COC[C@@H](C)CO 34a_100012001401_100000059175 [0,2,0,0,0,0|2,0,0]=4 25442 B14R1.13 Cc1ccc(nc1)COC[C@@H](O)CO 34a_100012001401_100009815848 [0,2,0,0,0,0|2,0,0]=4 25443 B14R1.13 Cc1ccc(nc1)CSCC(O)CO 62a_100000691093_100011219619 [0,2,0,0,0,0|2,0,0]=4 25444 B14R1.13 Cc1ccc(nc1)CSCC(O)CO 62a_100011219619_100000691093 [0,2,0,0,0,0|2,0,0]=4 25445 B14R1.13 Cc1ccc(nc1)CSC[C@@H](C)CO 62a_100000059175_100000691093 [0,2,0,0,0,0|2,0,0]=4 25446 B14R1.13 Cc1ccc(nc1)CSC[C@@H](C)CO 62a_100000691093_100000059175 [0,2,0,0,0,0|2,0,0]=4 25447 B14R1.13 Cc1ccc(nc1)CSC[C@@H](O)CO 62a_100000691093_100009815848 [0,2,0,0,0,0|2,0,0]=4 25448 B14R1.13 Cc1ccc(nc1)CSC[C@@H](O)CO 62a_100009815848_100000691093 [0,2,0,0,0,0|2,0,0]=4 25449 B14R1.13 ClCC(Cl)COCc1ccc(cc1)Br 34a_100000033668_100000189115 [0,2,0,0,0,0|2,0,0]=4 25450 B14R1.13 ClCC(Cl)COCc1ccc(cc1)Cl 34a_100000033668_100000694040 [0,2,0,0,0,0|2,0,0]=4 25451 B14R1.13 ClCC(Cl)COCc1ccc(cc1)I 34a_100000033668_100000189116 [0,2,0,0,0,0|2,0,0]=4 25452 B14R1.13 Fc1ccc(cc1)COCC(Cl)CCl 34a_100000033668_100000198546 [0,2,0,0,0,0|2,0,0]=4 25453 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)Br 34a_100015665980_100000189115 [0,2,0,0,0,0|2,0,0]=4 25454 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)Cl 34a_100015665980_100000694040 [0,2,0,0,0,0|2,0,0]=4 25455 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)F 34a_100015665980_100000198546 [0,2,0,0,0,0|2,0,0]=4 25456 B14R1.13 NC[C@@H](F)COCc1ccc(cc1)I 34a_100015665980_100000189116 [0,2,0,0,0,0|2,0,0]=4 25457 B14R1.13 Nc1ccc(cc1)COCC(O)CO 34a_100011215238_100011219619 [0,2,0,0,0,0|1,0,0]=3 25458 B14R1.13 Nc1ccc(cc1)COC[C@@H](O)CF 34a_100011215238_100015614560 [0,2,0,0,0,0|2,0,0]=4 25459 B14R1.13 Nc1ccc(cc1)COC[C@@H](O)CO 34a_100011215238_100009815848 [0,2,0,0,0,0|1,0,0]=3 25460 B14R1.13 Nc1ccc(cn1)COCC(O)CO 34a_100000704267_100011219619 [0,2,0,0,0,0|2,0,0]=4 25461 B14R1.13 Nc1ccc(cn1)COC[C@@H](O)CO 34a_100000704267_100009815848 [0,2,0,0,0,0|2,0,0]=4 25462 B14R1.13 Nc1ccc(nc1)COCC(O)CO 34a_100011998161_100011219619 [0,2,0,0,0,0|2,0,0]=4 25463 B14R1.13 Nc1ccc(nc1)COC[C@@H](O)CO 34a_100011998161_100009815848 [0,2,0,0,0,0|2,0,0]=4 25464 B14R1.13 O=C(CF)CCCc1ccc(cc1)Br 1458a_100011236545_100015361967 [0,2,0,0,0,0|1,0,1]=4 25465 B14R1.13 O=C(CF)CCCc1ccc(cc1)Cl 1458a_100000741339_100015361967 [0,2,0,0,0,0|1,0,1]=4 25466 B14R1.13 O=C(CF)CCCc1ccc(cc1)F 1458a_100011219804_100015361967 [0,2,0,0,0,0|1,0,1]=4 25467 B14R1.13 O=C(CF)CCCc1ccc(cc1)I 1458a_100011236544_100015361967 [0,2,0,0,0,0|1,0,1]=4 25468 B14R1.13 O=C(CF)CCCc1ccc(cc1)O 1458a_100000116853_100015361967 [0,2,0,0,0,0|1,0,1]=4 25469 B14R1.13 O=C(CO)CCCc1ccc(cc1)Br 1458a_100000210174_100011713682 [0,2,0,0,0,0|0,0,1]=3 25470 B14R1.13 O=C(CO)CCCc1ccc(cc1)Cl 1458a_100000210174_100000759440 [0,2,0,0,0,0|0,0,1]=3 25471 B14R1.13 O=C(CO)CCCc1ccc(cc1)F 1458a_100000210174_200011713563 [0,2,0,0,0,0|0,0,1]=3 25472 B14R1.13 O=C(CO)CCOc1ccc(cc1)Br 1458a_100000210174_100000183278 [0,2,0,0,0,0|1,0,1]=4 25473 B14R1.13 O=C(CO)CCOc1ccc(cc1)Cl 1458a_100000210174_100000184122 [0,2,0,0,0,0|1,0,1]=4 25474 B14R1.13 O=C(CO)CCOc1ccc(cc1)F 1458a_100000210174_100000184936 [0,2,0,0,0,0|1,0,1]=4 25475 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br 240690a_100000755846_100000210174 [0,2,0,0,0,0|1,0,1]=4 25476 B14R1.13 O=C(CO)NCCc1ccc(cc1)Br 527a_100000755846_100000210174 [0,2,0,0,0,0|1,0,1]=4 25477 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 240690a_100000185265_100000210174 [0,2,0,0,0,0|1,0,1]=4 25478 B14R1.13 O=C(CO)NCCc1ccc(cc1)Cl 527a_100000185265_100000210174 [0,2,0,0,0,0|1,0,1]=4 25479 B14R1.13 O=C(CO)NCCc1ccc(cc1)F 240690a_100000199005_100000210174 [0,2,0,0,0,0|1,0,1]=4 25480 B14R1.13 O=C(CO)NCCc1ccc(cc1)F 527a_100000199005_100000210174 [0,2,0,0,0,0|1,0,1]=4 25481 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 240690a_100000743037_100000210174 [0,2,0,0,0,0|1,0,1]=4 25482 B14R1.13 O=C(CO)NCCc1ccc(cc1)O 527a_100000743037_100000210174 [0,2,0,0,0,0|1,0,1]=4 25483 B14R1.13 O=c1ccc(c[nH]1)COCC(O)CO 34a_100011999846_100011219619 [0,2,0,0,0,0|2,0,0]=4 25484 B14R1.13 O=c1ccc(c[nH]1)COC[C@@H](O)CO 34a_100011999846_100009815848 [0,2,0,0,0,0|2,0,0]=4 25485 B14R1.13 OCC(O)CNCc1ccc(cc1)Br 2230a_100000174875_100011219619 [0,2,0,0,0,0|1,0,0]=3 25486 B14R1.13 OCC(O)CNCc1ccc(cc1)Br 34a_100000174875_100011219619 [0,2,0,0,0,0|1,0,0]=3 25487 B14R1.13 OCC(O)CNCc1ccc(cc1)Cl 2230a_100000174871_100011219619 [0,2,0,0,0,0|1,0,0]=3 25488 B14R1.13 OCC(O)CNCc1ccc(cc1)Cl 34a_100000174871_100011219619 [0,2,0,0,0,0|1,0,0]=3 25489 B14R1.13 OCC(O)CNCc1ccc(cc1)F 2230a_100000174882_100011219619 [0,2,0,0,0,0|1,0,0]=3 25490 B14R1.13 OCC(O)CNCc1ccc(cc1)F 34a_100000174882_100011219619 [0,2,0,0,0,0|1,0,0]=3 25491 B14R1.13 OCC(O)CNCc1ccc(cc1)I 2230a_100016989417_100011219619 [0,2,0,0,0,0|1,0,0]=3 25492 B14R1.13 OCC(O)CNCc1ccc(cc1)I 34a_100016989417_100011219619 [0,2,0,0,0,0|1,0,0]=3 25493 B14R1.13 OCC(O)CNCc1ccc(cc1)O 34a_100000185549_100011219619 [0,2,0,0,0,0|1,0,0]=3 25494 B14R1.13 OCC(O)CNCc1ccc(cn1)Br 34a_100015188789_100011219619 [0,2,0,0,0,0|2,0,0]=4 25495 B14R1.13 OCC(O)CNCc1ccc(cn1)Cl 34a_100000697193_100011219619 [0,2,0,0,0,0|2,0,0]=4 25496 B14R1.13 OCC(O)CNCc1ccc(cn1)F 34a_100020620131_100011219619 [0,2,0,0,0,0|2,0,0]=4 25497 B14R1.13 OCC(O)CNCc1ccc(nc1)Br 2230a_100009817727_100011219619 [0,2,0,0,0,0|2,0,0]=4 25498 B14R1.13 OCC(O)CNCc1ccc(nc1)Br 34a_100009817727_100011219619 [0,2,0,0,0,0|2,0,0]=4 25499 B14R1.13 OCC(O)CNCc1ccc(nc1)Cl 2230a_100000735879_100011219619 [0,2,0,0,0,0|2,0,0]=4 25500 B14R1.13 OCC(O)CNCc1ccc(nc1)Cl 34a_100000735879_100011219619 [0,2,0,0,0,0|2,0,0]=4 25501 B14R1.13 OCC(O)CNCc1ccc(nc1)F 2230a_100000101913_100011219619 [0,2,0,0,0,0|2,0,0]=4 25502 B14R1.13 OCC(O)CNCc1ccc(nc1)F 34a_100000101913_100011219619 [0,2,0,0,0,0|2,0,0]=4 25503 B14R1.13 OCC(O)CNCc1ccc(nc1)O 2230a_100000757128_100011219619 [0,2,0,0,0,0|2,0,0]=4 25504 B14R1.13 OCC(O)COCc1ccc(cc1)Br 34a_100000695286_100011219619 [0,2,0,0,0,0|1,0,0]=3 25505 B14R1.13 OCC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011219619 [0,2,0,0,0,0|1,0,0]=3 25506 B14R1.13 OCC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011219619 [0,2,0,0,0,0|1,0,0]=3 25507 B14R1.13 OCC(O)COCc1ccc(cc1)F 34a_100000210977_100011219619 [0,2,0,0,0,0|1,0,0]=3 25508 B14R1.13 OCC(O)COCc1ccc(cc1)F 7a_100000210977_100011219619 [0,2,0,0,0,0|1,0,0]=3 25509 B14R1.13 OCC(O)COCc1ccc(cc1)I 34a_100000690907_100011219619 [0,2,0,0,0,0|1,0,0]=3 25510 B14R1.13 OCC(O)COCc1ccc(cc1)I 7a_100000690907_100011219619 [0,2,0,0,0,0|1,0,0]=3 25511 B14R1.13 OCC(O)COCc1ccc(cn1)Br 34a_100000754261_100011219619 [0,2,0,0,0,0|2,0,0]=4 25512 B14R1.13 OCC(O)COCc1ccc(cn1)Cl 34a_100000703999_100011219619 [0,2,0,0,0,0|2,0,0]=4 25513 B14R1.13 OCC(O)COCc1ccc(cn1)F 34a_100011999454_100011219619 [0,2,0,0,0,0|2,0,0]=4 25514 B14R1.13 OCC(O)COCc1ccc(nc1)Br 34a_100009816760_100011219619 [0,2,0,0,0,0|2,0,0]=4 25515 B14R1.13 OCC(O)COCc1ccc(nc1)Br 7a_100009816760_100011219619 [0,2,0,0,0,0|2,0,0]=4 25516 B14R1.13 OCC(O)COCc1ccc(nc1)Cl 34a_100000755211_100011219619 [0,2,0,0,0,0|2,0,0]=4 25517 B14R1.13 OCC(O)COCc1ccc(nc1)Cl 7a_100000755211_100011219619 [0,2,0,0,0,0|2,0,0]=4 25518 B14R1.13 OCC(O)COCc1ccc(nc1)F 34a_100000079959_100011219619 [0,2,0,0,0,0|2,0,0]=4 25519 B14R1.13 OCC(O)CSCc1ccc(cc1)Br 62a_100000189115_100011219619 [0,2,0,0,0,0|1,0,0]=3 25520 B14R1.13 OCC(O)CSCc1ccc(cc1)Br 62a_100011219619_100000189115 [0,2,0,0,0,0|1,0,0]=3 25521 B14R1.13 OCC(O)CSCc1ccc(cc1)Cl 62a_100000187161_100011219619 [0,2,0,0,0,0|1,0,0]=3 25522 B14R1.13 OCC(O)CSCc1ccc(cc1)Cl 62a_100011219619_100000187161 [0,2,0,0,0,0|1,0,0]=3 25523 B14R1.13 OCC(O)CSCc1ccc(cc1)F 62a_100000198546_100011219619 [0,2,0,0,0,0|1,0,0]=3 25524 B14R1.13 OCC(O)CSCc1ccc(cc1)F 62a_100011219619_100000187164 [0,2,0,0,0,0|1,0,0]=3 25525 B14R1.13 OCC(O)CSCc1ccc(cc1)I 62a_100000189116_100011219619 [0,2,0,0,0,0|1,0,0]=3 25526 B14R1.13 OCC(O)CSCc1ccc(cc1)I 62a_100011219619_100000189116 [0,2,0,0,0,0|1,0,0]=3 25527 B14R1.13 OCC(O)CSCc1ccc(cn1)Br 62a_100000702658_100011219619 [0,2,0,0,0,0|2,0,0]=4 25528 B14R1.13 OCC(O)CSCc1ccc(cn1)Br 62a_100011219619_100000702658 [0,2,0,0,0,0|2,0,0]=4 25529 B14R1.13 OCC(O)CSCc1ccc(cn1)Cl 62a_100011219619_100000697101 [0,2,0,0,0,0|2,0,0]=4 25530 B14R1.13 OCC(O)CSCc1ccc(cn1)Cl 62a_100012066911_100011219619 [0,2,0,0,0,0|2,0,0]=4 25531 B14R1.13 OCC(O)CSCc1ccc(cn1)F 62a_100000703193_100011219619 [0,2,0,0,0,0|2,0,0]=4 25532 B14R1.13 OCC(O)CSCc1ccc(cn1)F 62a_100011219619_100000703193 [0,2,0,0,0,0|2,0,0]=4 25533 B14R1.13 OCC(O)CSCc1ccc(nc1)Br 62a_100009831999_100011219619 [0,2,0,0,0,0|2,0,0]=4 25534 B14R1.13 OCC(O)CSCc1ccc(nc1)Br 62a_100011219619_100009831999 [0,2,0,0,0,0|2,0,0]=4 25535 B14R1.13 OCC(O)CSCc1ccc(nc1)Cl 62a_100000735431_100011219619 [0,2,0,0,0,0|2,0,0]=4 25536 B14R1.13 OCC(O)CSCc1ccc(nc1)Cl 62a_100011219619_100000735431 [0,2,0,0,0,0|2,0,0]=4 25537 B14R1.13 OCC(O)CSCc1ccc(nc1)F 62a_100009820150_100011219619 [0,2,0,0,0,0|2,0,0]=4 25538 B14R1.13 OCC(O)CSCc1ccc(nc1)F 62a_100011219619_100000099788 [0,2,0,0,0,0|2,0,0]=4 25539 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Br 207a_100020644852_100000186029 [0,2,0,0,0,0|1,0,0]=3 25540 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Br 2230a_100020644852_100011217064 [0,2,0,0,0,0|1,0,0]=3 25541 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Cl 207a_100020644852_100000189385 [0,2,0,0,0,0|1,0,0]=3 25542 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)Cl 2230a_100020644852_100000694040 [0,2,0,0,0,0|1,0,0]=3 25543 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)F 207a_100020644852_100000210084 [0,2,0,0,0,0|1,0,0]=3 25544 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)F 2230a_100020644852_100000198546 [0,2,0,0,0,0|1,0,0]=3 25545 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)I 207a_100020644852_100000188517 [0,2,0,0,0,0|1,0,0]=3 25546 B14R1.13 OC[C@@H](O)CNCc1ccc(cc1)I 2230a_100020644852_100000189116 [0,2,0,0,0,0|1,0,0]=3 25547 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Br 207a_100020644852_100000754260 [0,2,0,0,0,0|2,0,0]=4 25548 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Br 2230a_100020644852_100000702658 [0,2,0,0,0,0|2,0,0]=4 25549 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Cl 207a_100020644852_100011361569 [0,2,0,0,0,0|2,0,0]=4 25550 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)Cl 2230a_100020644852_100012066911 [0,2,0,0,0,0|2,0,0]=4 25551 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)F 207a_100020644852_100011934744 [0,2,0,0,0,0|2,0,0]=4 25552 B14R1.13 OC[C@@H](O)CNCc1ccc(cn1)F 2230a_100020644852_100000703193 [0,2,0,0,0,0|2,0,0]=4 25553 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)Br 2230a_100020644852_100009831999 [0,2,0,0,0,0|2,0,0]=4 25554 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)Cl 2230a_100020644852_100000735431 [0,2,0,0,0,0|2,0,0]=4 25555 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)F 2230a_100020644852_100009820150 [0,2,0,0,0,0|2,0,0]=4 25556 B14R1.13 OC[C@@H](O)CNCc1ccc(nc1)O 207a_100020644852_100011361521 [0,2,0,0,0,0|2,0,0]=4 25557 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Br 207a_100015665980_100000186029 [0,2,0,0,0,0|1,0,0]=3 25558 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Br 270004a_100015665980_100000186029 [0,2,0,0,0,0|1,0,0]=3 25559 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Br 34a_100015665980_100000189115 [0,2,0,0,0,0|1,0,0]=3 25560 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Cl 207a_100015665980_100000189385 [0,2,0,0,0,0|1,0,0]=3 25561 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Cl 270004a_100015665980_100000189385 [0,2,0,0,0,0|1,0,0]=3 25562 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)Cl 34a_100015665980_100000694040 [0,2,0,0,0,0|1,0,0]=3 25563 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)F 207a_100015665980_100000210084 [0,2,0,0,0,0|1,0,0]=3 25564 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)F 270004a_100015665980_100000210084 [0,2,0,0,0,0|1,0,0]=3 25565 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)F 34a_100015665980_100000198546 [0,2,0,0,0,0|1,0,0]=3 25566 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)I 207a_100015665980_100000188517 [0,2,0,0,0,0|1,0,0]=3 25567 B14R1.13 OC[C@H](F)CNCc1ccc(cc1)I 34a_100015665980_100000189116 [0,2,0,0,0,0|1,0,0]=3 25568 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Br 207a_100015665980_100000754260 [0,2,0,0,0,0|2,0,0]=4 25569 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Br 270004a_100015665980_100000754260 [0,2,0,0,0,0|2,0,0]=4 25570 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Br 34a_100015665980_100000702658 [0,2,0,0,0,0|2,0,0]=4 25571 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Cl 207a_100015665980_100011361569 [0,2,0,0,0,0|2,0,0]=4 25572 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Cl 270004a_100015665980_100011361569 [0,2,0,0,0,0|2,0,0]=4 25573 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)Cl 34a_100015665980_100012066911 [0,2,0,0,0,0|2,0,0]=4 25574 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)F 207a_100015665980_100011934744 [0,2,0,0,0,0|2,0,0]=4 25575 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)F 270004a_100015665980_100011934744 [0,2,0,0,0,0|2,0,0]=4 25576 B14R1.13 OC[C@H](F)CNCc1ccc(cn1)F 34a_100015665980_100000703193 [0,2,0,0,0,0|2,0,0]=4 25577 B14R1.13 OC[C@H](F)CNCc1ccc(nc1)Br 34a_100015665980_100009831999 [0,2,0,0,0,0|2,0,0]=4 25578 B14R1.13 OC[C@H](F)CNCc1ccc(nc1)Cl 34a_100015665980_100000735431 [0,2,0,0,0,0|2,0,0]=4 25579 B14R1.13 OC[C@H](F)CNCc1ccc(nc1)F 34a_100015665980_100000099788 [0,2,0,0,0,0|2,0,0]=4 25580 B14R1.13 OC[C@H](F)CNCc1ccc(nc1)O 207a_100015665980_100011361521 [0,2,0,0,0,0|2,0,0]=4 25581 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Br 2230a_100000174875_100009815848 [0,2,0,0,0,0|1,0,0]=3 25582 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Br 34a_100000174875_100009815848 [0,2,0,0,0,0|1,0,0]=3 25583 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Cl 2230a_100000174871_100009815848 [0,2,0,0,0,0|1,0,0]=3 25584 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)Cl 34a_100000174871_100009815848 [0,2,0,0,0,0|1,0,0]=3 25585 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)F 2230a_100000174882_100009815848 [0,2,0,0,0,0|1,0,0]=3 25586 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)F 34a_100000174882_100009815848 [0,2,0,0,0,0|1,0,0]=3 25587 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)I 2230a_100016989417_100009815848 [0,2,0,0,0,0|1,0,0]=3 25588 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)I 34a_100016989417_100009815848 [0,2,0,0,0,0|1,0,0]=3 25589 B14R1.13 OC[C@H](O)CNCc1ccc(cc1)O 34a_100000185549_100009815848 [0,2,0,0,0,0|1,0,0]=3 25590 B14R1.13 OC[C@H](O)CNCc1ccc(cn1)Br 34a_100015188789_100009815848 [0,2,0,0,0,0|2,0,0]=4 25591 B14R1.13 OC[C@H](O)CNCc1ccc(cn1)Cl 34a_100000697193_100009815848 [0,2,0,0,0,0|2,0,0]=4 25592 B14R1.13 OC[C@H](O)CNCc1ccc(cn1)F 34a_100020620131_100009815848 [0,2,0,0,0,0|2,0,0]=4 25593 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Br 2230a_100009817727_100009815848 [0,2,0,0,0,0|2,0,0]=4 25594 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Br 34a_100009817727_100009815848 [0,2,0,0,0,0|2,0,0]=4 25595 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Cl 2230a_100000735879_100009815848 [0,2,0,0,0,0|2,0,0]=4 25596 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)Cl 34a_100000735879_100009815848 [0,2,0,0,0,0|2,0,0]=4 25597 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)F 2230a_100000101913_100009815848 [0,2,0,0,0,0|2,0,0]=4 25598 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)F 34a_100000101913_100009815848 [0,2,0,0,0,0|2,0,0]=4 25599 B14R1.13 OC[C@H](O)CNCc1ccc(nc1)O 2230a_100000757128_100009815848 [0,2,0,0,0,0|2,0,0]=4 25600 B14R1.13 OC[C@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009815848 [0,2,0,0,0,0|1,0,0]=3 25601 B14R1.13 OC[C@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009815848 [0,2,0,0,0,0|1,0,0]=3 25602 B14R1.13 OC[C@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009815848 [0,2,0,0,0,0|1,0,0]=3 25603 B14R1.13 OC[C@H](O)COCc1ccc(cc1)F 34a_100000210977_100009815848 [0,2,0,0,0,0|1,0,0]=3 25604 B14R1.13 OC[C@H](O)COCc1ccc(cc1)F 7a_100000210977_100009815848 [0,2,0,0,0,0|1,0,0]=3 25605 B14R1.13 OC[C@H](O)COCc1ccc(cc1)I 34a_100000690907_100009815848 [0,2,0,0,0,0|1,0,0]=3 25606 B14R1.13 OC[C@H](O)COCc1ccc(cc1)I 7a_100000690907_100009815848 [0,2,0,0,0,0|1,0,0]=3 25607 B14R1.13 OC[C@H](O)COCc1ccc(cn1)Br 34a_100000754261_100009815848 [0,2,0,0,0,0|2,0,0]=4 25608 B14R1.13 OC[C@H](O)COCc1ccc(cn1)Cl 34a_100000703999_100009815848 [0,2,0,0,0,0|2,0,0]=4 25609 B14R1.13 OC[C@H](O)COCc1ccc(cn1)F 34a_100011999454_100009815848 [0,2,0,0,0,0|2,0,0]=4 25610 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Br 34a_100009816760_100009815848 [0,2,0,0,0,0|2,0,0]=4 25611 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Br 7a_100009816760_100009815848 [0,2,0,0,0,0|2,0,0]=4 25612 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Cl 34a_100000755211_100009815848 [0,2,0,0,0,0|2,0,0]=4 25613 B14R1.13 OC[C@H](O)COCc1ccc(nc1)Cl 7a_100000755211_100009815848 [0,2,0,0,0,0|2,0,0]=4 25614 B14R1.13 OC[C@H](O)COCc1ccc(nc1)F 34a_100000079959_100009815848 [0,2,0,0,0,0|2,0,0]=4 25615 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Br 62a_100000189115_100009815848 [0,2,0,0,0,0|1,0,0]=3 25616 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Br 62a_100009815848_100000189115 [0,2,0,0,0,0|1,0,0]=3 25617 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Cl 62a_100000187161_100009815848 [0,2,0,0,0,0|1,0,0]=3 25618 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)Cl 62a_100009815848_100000187161 [0,2,0,0,0,0|1,0,0]=3 25619 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)F 62a_100000198546_100009815848 [0,2,0,0,0,0|1,0,0]=3 25620 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)F 62a_100009815848_100000187164 [0,2,0,0,0,0|1,0,0]=3 25621 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)I 62a_100000189116_100009815848 [0,2,0,0,0,0|1,0,0]=3 25622 B14R1.13 OC[C@H](O)CSCc1ccc(cc1)I 62a_100009815848_100000189116 [0,2,0,0,0,0|1,0,0]=3 25623 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Br 62a_100000702658_100009815848 [0,2,0,0,0,0|2,0,0]=4 25624 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Br 62a_100009815848_100000702658 [0,2,0,0,0,0|2,0,0]=4 25625 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Cl 62a_100009815848_100000697101 [0,2,0,0,0,0|2,0,0]=4 25626 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)Cl 62a_100012066911_100009815848 [0,2,0,0,0,0|2,0,0]=4 25627 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)F 62a_100000703193_100009815848 [0,2,0,0,0,0|2,0,0]=4 25628 B14R1.13 OC[C@H](O)CSCc1ccc(cn1)F 62a_100009815848_100000703193 [0,2,0,0,0,0|2,0,0]=4 25629 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Br 62a_100009815848_100009831999 [0,2,0,0,0,0|2,0,0]=4 25630 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Br 62a_100009831999_100009815848 [0,2,0,0,0,0|2,0,0]=4 25631 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Cl 62a_100000735431_100009815848 [0,2,0,0,0,0|2,0,0]=4 25632 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)Cl 62a_100009815848_100000735431 [0,2,0,0,0,0|2,0,0]=4 25633 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)F 62a_100009815848_100000099788 [0,2,0,0,0,0|2,0,0]=4 25634 B14R1.13 OC[C@H](O)CSCc1ccc(nc1)F 62a_100009820150_100009815848 [0,2,0,0,0,0|2,0,0]=4 25635 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Br 2230a_100000174875_100015614560 [0,2,0,0,0,0|2,0,0]=4 25636 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Br 34a_100000174875_100015614560 [0,2,0,0,0,0|2,0,0]=4 25637 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Cl 2230a_100000174871_100015614560 [0,2,0,0,0,0|2,0,0]=4 25638 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)Cl 34a_100000174871_100015614560 [0,2,0,0,0,0|2,0,0]=4 25639 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)F 2230a_100000174882_100015614560 [0,2,0,0,0,0|2,0,0]=4 25640 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)F 34a_100000174882_100015614560 [0,2,0,0,0,0|2,0,0]=4 25641 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)I 2230a_100016989417_100015614560 [0,2,0,0,0,0|2,0,0]=4 25642 B14R1.13 O[C@@H](CF)CNCc1ccc(cc1)I 34a_100016989417_100015614560 [0,2,0,0,0,0|2,0,0]=4 25643 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)Br 34a_100000695286_100015614560 [0,2,0,0,0,0|2,0,0]=4 25644 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)Cl 34a_100000211118_100015614560 [0,2,0,0,0,0|2,0,0]=4 25645 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)Cl 7a_100000211118_100015614560 [0,2,0,0,0,0|2,0,0]=4 25646 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)F 34a_100000210977_100015614560 [0,2,0,0,0,0|2,0,0]=4 25647 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)F 7a_100000210977_100015614560 [0,2,0,0,0,0|2,0,0]=4 25648 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)I 34a_100000690907_100015614560 [0,2,0,0,0,0|2,0,0]=4 25649 B14R1.13 O[C@@H](CF)COCc1ccc(cc1)I 7a_100000690907_100015614560 [0,2,0,0,0,0|2,0,0]=4 25650 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Br 62a_100000189115_100015614560 [0,2,0,0,0,0|2,0,0]=4 25651 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Br 62a_100015614560_100000189115 [0,2,0,0,0,0|2,0,0]=4 25652 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Cl 62a_100000187161_100015614560 [0,2,0,0,0,0|2,0,0]=4 25653 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)Cl 62a_100015614560_100000187161 [0,2,0,0,0,0|2,0,0]=4 25654 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)F 62a_100000198546_100015614560 [0,2,0,0,0,0|2,0,0]=4 25655 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)F 62a_100015614560_100000187164 [0,2,0,0,0,0|2,0,0]=4 25656 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)I 62a_100000189116_100015614560 [0,2,0,0,0,0|2,0,0]=4 25657 B14R1.13 O[C@@H](CF)CSCc1ccc(cc1)I 62a_100015614560_100000189116 [0,2,0,0,0,0|2,0,0]=4 25658 B14R1.13 Oc1ccc(cc1)CNC[C@@H](O)CF 34a_100000185549_100015614560 [0,2,0,0,0,0|2,0,0]=4 25659 B14R1.13 [O-][n+]1ccc(cc1)COCC(O)CO 34a_100000031831_100011219619 [0,2,0,0,0,0|2,0,0]=4 25660 B14R1.13 [O-][n+]1ccc(cc1)COCC(O)CO 7a_100000031831_100011219619 [0,2,0,0,0,0|2,0,0]=4 25661 B14R1.13 [O-][n+]1ccc(cc1)COC[C@@H](O)CO 34a_100000031831_100009815848 [0,2,0,0,0,0|2,0,0]=4 25662 B14R1.13 [O-][n+]1ccc(cc1)COC[C@@H](O)CO 7a_100000031831_100009815848 [0,2,0,0,0,0|2,0,0]=4 25663 B14R1.14 BrCCCCOCc1ccc(cc1)Br 34a_100011216708_100000189115 [0,2,0,0,0,0|1,0,0]=3 25664 B14R1.14 BrCCCCOCc1ccc(cc1)I 34a_100011216708_100000189116 [0,2,0,0,0,0|1,0,0]=3 25665 B14R1.14 BrCCCCOCc1ccc(cn1)Br 34a_100011216708_100000702658 [0,2,0,0,0,0|2,0,0]=4 25666 B14R1.14 BrCCCCOCc1ccc(nc1)Br 34a_100011216708_100009831999 [0,2,0,0,0,0|2,0,0]=4 25667 B14R1.14 BrCCCOCCc1ccc(cc1)Br 34a_100011217188_100011740612 [0,2,0,0,0,0|1,0,0]=3 25668 B14R1.14 BrCCOCCCc1ccc(cc1)Br 34a_100000211926_100011713682 [0,2,0,0,0,0|1,0,0]=3 25669 B14R1.14 BrCCOCCOc1ccc(cc1)Br 34a_100000211926_100000183278 [0,2,0,0,0,0|2,0,0]=4 25670 B14R1.14 Brc1ccc(cc1)COCCCCI 34a_200012148704_100000189115 [0,2,0,0,0,0|1,0,0]=3 25671 B14R1.14 Brc1ccc(cn1)COCCCCI 34a_200012148704_100009831999 [0,2,0,0,0,0|2,0,0]=4 25672 B14R1.14 Brc1ccc(nc1)COCCCCI 34a_200012148704_100000702658 [0,2,0,0,0,0|2,0,0]=4 25673 B14R1.14 C#CCCCCNc1ccc(cc1)Br 2230a_100000210018_100010269958 [0,2,0,0,0,0|1,0,1]=4 25674 B14R1.14 C#CCCCCNc1ccc(cc1)Br 34a_100000210018_100010269958 [0,2,0,0,0,0|1,0,1]=4 25675 B14R1.14 C#CCCCCNc1ccc(cc1)C 34a_100000124888_100010269958 [0,2,0,0,0,0|1,0,1]=4 25676 B14R1.14 C#CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100010269958 [0,2,0,0,0,0|1,0,1]=4 25677 B14R1.14 C#CCCCCNc1ccc(cc1)Cl 34a_100000210052_100010269958 [0,2,0,0,0,0|1,0,1]=4 25678 B14R1.14 C#CCCCCNc1ccc(cc1)F 34a_100000185862_100010269958 [0,2,0,0,0,0|1,0,1]=4 25679 B14R1.14 C#CCCCCNc1ccc(cc1)I 34a_100000185761_100010269958 [0,2,0,0,0,0|1,0,1]=4 25680 B14R1.14 C#CCCCCNc1ccc(cc1)O 34a_100000185829_100010269958 [0,2,0,0,0,0|1,0,1]=4 25681 B14R1.14 C#CCCCCOc1ccc(cc1)Br 34a_100000185759_100010269958 [0,2,0,0,0,0|1,0,1]=4 25682 B14R1.14 C#CCCCCOc1ccc(cc1)Br 7a_100000185759_100010269958 [0,2,0,0,0,0|1,0,1]=4 25683 B14R1.14 C#CCCCCOc1ccc(cc1)C 34a_100000210336_100010269958 [0,2,0,0,0,0|1,0,1]=4 25684 B14R1.14 C#CCCCCOc1ccc(cc1)C 7a_100000210336_100010269958 [0,2,0,0,0,0|1,0,1]=4 25685 B14R1.14 C#CCCCCOc1ccc(cc1)Cl 34a_100000210216_100010269958 [0,2,0,0,0,0|1,0,1]=4 25686 B14R1.14 C#CCCCCOc1ccc(cc1)Cl 7a_100000210216_100010269958 [0,2,0,0,0,0|1,0,1]=4 25687 B14R1.14 C#CCCCCOc1ccc(cc1)F 34a_100000210339_100010269958 [0,2,0,0,0,0|1,0,1]=4 25688 B14R1.14 C#CCCCCOc1ccc(cc1)I 34a_100000212066_100010269958 [0,2,0,0,0,0|1,0,1]=4 25689 B14R1.14 C#CCCCCOc1ccc(cc1)I 7a_100000212066_100010269958 [0,2,0,0,0,0|1,0,1]=4 25690 B14R1.14 C#CCCCCOc1ccc(cc1)N 34a_100000185829_100010269958 [0,2,0,0,0,0|1,0,1]=4 25691 B14R1.14 C#CCCCCSc1ccc(cc1)Br 62a_100000752885_100010269958 [0,2,0,0,0,0|1,0,1]=4 25692 B14R1.14 C#CCCCCSc1ccc(cc1)Br 62a_100010269958_100000752885 [0,2,0,0,0,0|1,0,1]=4 25693 B14R1.14 C#CCCCCSc1ccc(cc1)C 62a_100000186775_100010269958 [0,2,0,0,0,0|1,0,1]=4 25694 B14R1.14 C#CCCCCSc1ccc(cc1)C 62a_100010269958_100000186775 [0,2,0,0,0,0|1,0,1]=4 25695 B14R1.14 C#CCCCCSc1ccc(cc1)Cl 62a_100000755918_100010269958 [0,2,0,0,0,0|1,0,1]=4 25696 B14R1.14 C#CCCCCSc1ccc(cc1)Cl 62a_100010269958_100000755918 [0,2,0,0,0,0|1,0,1]=4 25697 B14R1.14 C#CCCCCSc1ccc(cc1)F 62a_100000211213_100010269958 [0,2,0,0,0,0|1,0,1]=4 25698 B14R1.14 C#CCCCCSc1ccc(cc1)F 62a_100010269958_100000211213 [0,2,0,0,0,0|1,0,1]=4 25699 B14R1.14 C#CCCCCSc1ccc(cc1)N 62a_100000185761_100010269958 [0,2,0,0,0,0|1,0,1]=4 25700 B14R1.14 C#CCCCCSc1ccc(cc1)N 62a_100010269958_100000185761 [0,2,0,0,0,0|1,0,1]=4 25701 B14R1.14 C#CCCCCSc1ccc(cc1)O 62a_100010269958_100000185759 [0,2,0,0,0,0|1,0,1]=4 25702 B14R1.14 C#CCCCNCc1ccc(cc1)Br 207a_100000718082_100000186029 [0,2,0,0,0,0|1,0,1]=4 25703 B14R1.14 C#CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000731252 [0,2,0,0,0,0|1,0,1]=4 25704 B14R1.14 C#CCCCNCc1ccc(cc1)Br 270004a_100000718082_100000186029 [0,2,0,0,0,0|1,0,1]=4 25705 B14R1.14 C#CCCCNCc1ccc(cc1)Br 34a_100000174875_100000695029 [0,2,0,0,0,0|1,0,1]=4 25706 B14R1.14 C#CCCCNCc1ccc(cc1)Br 34a_100000718082_100000189115 [0,2,0,0,0,0|1,0,1]=4 25707 B14R1.14 C#CCCCNCc1ccc(cc1)C 207a_100000718082_100000211033 [0,2,0,0,0,0|1,0,1]=4 25708 B14R1.14 C#CCCCNCc1ccc(cc1)C 2230a_100000174908_100000731252 [0,2,0,0,0,0|1,0,1]=4 25709 B14R1.14 C#CCCCNCc1ccc(cc1)C 270004a_100000718082_100000211033 [0,2,0,0,0,0|1,0,1]=4 25710 B14R1.14 C#CCCCNCc1ccc(cc1)C 34a_100000174908_100000695029 [0,2,0,0,0,0|1,0,1]=4 25711 B14R1.14 C#CCCCNCc1ccc(cc1)C 34a_100000718082_100000210814 [0,2,0,0,0,0|1,0,1]=4 25712 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 207a_100000718082_100000189385 [0,2,0,0,0,0|1,0,1]=4 25713 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000731252 [0,2,0,0,0,0|1,0,1]=4 25714 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 270004a_100000718082_100000189385 [0,2,0,0,0,0|1,0,1]=4 25715 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000695029 [0,2,0,0,0,0|1,0,1]=4 25716 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 34a_100000718082_100000694040 [0,2,0,0,0,0|1,0,1]=4 25717 B14R1.14 C#CCCCNCc1ccc(cc1)F 207a_100000718082_100000210084 [0,2,0,0,0,0|1,0,1]=4 25718 B14R1.14 C#CCCCNCc1ccc(cc1)F 2230a_100000174882_100000731252 [0,2,0,0,0,0|1,0,1]=4 25719 B14R1.14 C#CCCCNCc1ccc(cc1)F 270004a_100000718082_100000210084 [0,2,0,0,0,0|1,0,1]=4 25720 B14R1.14 C#CCCCNCc1ccc(cc1)F 34a_100000174882_100000695029 [0,2,0,0,0,0|1,0,1]=4 25721 B14R1.14 C#CCCCNCc1ccc(cc1)F 34a_100000718082_100000198546 [0,2,0,0,0,0|1,0,1]=4 25722 B14R1.14 C#CCCCNCc1ccc(cc1)I 207a_100000718082_100000188517 [0,2,0,0,0,0|1,0,1]=4 25723 B14R1.14 C#CCCCNCc1ccc(cc1)I 2230a_100016989417_100000731252 [0,2,0,0,0,0|1,0,1]=4 25724 B14R1.14 C#CCCCNCc1ccc(cc1)I 34a_100000718082_100000189116 [0,2,0,0,0,0|1,0,1]=4 25725 B14R1.14 C#CCCCNCc1ccc(cc1)I 34a_100016989417_100000695029 [0,2,0,0,0,0|1,0,1]=4 25726 B14R1.14 C#CCCCNCc1ccc(cc1)O 34a_100000185549_100000695029 [0,2,0,0,0,0|1,0,1]=4 25727 B14R1.14 C#CCCCOCc1ccc(cc1)Br 34a_100000215630_100000189115 [0,2,0,0,0,0|1,0,1]=4 25728 B14R1.14 C#CCCCOCc1ccc(cc1)Br 34a_100000695286_100000695029 [0,2,0,0,0,0|1,0,1]=4 25729 B14R1.14 C#CCCCOCc1ccc(cc1)Br 7a_100000215630_100011217064 [0,2,0,0,0,0|1,0,1]=4 25730 B14R1.14 C#CCCCOCc1ccc(cc1)C 34a_100000215630_100000210814 [0,2,0,0,0,0|1,0,1]=4 25731 B14R1.14 C#CCCCOCc1ccc(cc1)C 34a_100011215236_100000695029 [0,2,0,0,0,0|1,0,1]=4 25732 B14R1.14 C#CCCCOCc1ccc(cc1)C 7a_100000215630_100000210814 [0,2,0,0,0,0|1,0,1]=4 25733 B14R1.14 C#CCCCOCc1ccc(cc1)C 7a_100011215236_100011215417 [0,2,0,0,0,0|1,0,1]=4 25734 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000695029 [0,2,0,0,0,0|1,0,1]=4 25735 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 34a_100000215630_100000694040 [0,2,0,0,0,0|1,0,1]=4 25736 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215417 [0,2,0,0,0,0|1,0,1]=4 25737 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 7a_100000215630_100000187161 [0,2,0,0,0,0|1,0,1]=4 25738 B14R1.14 C#CCCCOCc1ccc(cc1)F 34a_100000210977_100000695029 [0,2,0,0,0,0|1,0,1]=4 25739 B14R1.14 C#CCCCOCc1ccc(cc1)F 34a_100000215630_100000198546 [0,2,0,0,0,0|1,0,1]=4 25740 B14R1.14 C#CCCCOCc1ccc(cc1)F 7a_100000210977_100011215417 [0,2,0,0,0,0|1,0,1]=4 25741 B14R1.14 C#CCCCOCc1ccc(cc1)F 7a_100000215630_100000198546 [0,2,0,0,0,0|1,0,1]=4 25742 B14R1.14 C#CCCCOCc1ccc(cc1)I 34a_100000215630_100000189116 [0,2,0,0,0,0|1,0,1]=4 25743 B14R1.14 C#CCCCOCc1ccc(cc1)I 34a_100000690907_100000695029 [0,2,0,0,0,0|1,0,1]=4 25744 B14R1.14 C#CCCCOCc1ccc(cc1)I 7a_100000215630_100000189116 [0,2,0,0,0,0|1,0,1]=4 25745 B14R1.14 C#CCCCOCc1ccc(cc1)I 7a_100000690907_100011215417 [0,2,0,0,0,0|1,0,1]=4 25746 B14R1.14 C#CCCCOCc1ccc(cc1)N 34a_100011215238_100000695029 [0,2,0,0,0,0|1,0,1]=4 25747 B14R1.14 C#CCCCSCc1ccc(cc1)Br 62a_100000189115_100011215417 [0,2,0,0,0,0|1,0,1]=4 25748 B14R1.14 C#CCCCSCc1ccc(cc1)Br 62a_100011215417_100000189115 [0,2,0,0,0,0|1,0,1]=4 25749 B14R1.14 C#CCCCSCc1ccc(cc1)C 62a_100000210814_100011215417 [0,2,0,0,0,0|1,0,1]=4 25750 B14R1.14 C#CCCCSCc1ccc(cc1)C 62a_100011215417_100000210814 [0,2,0,0,0,0|1,0,1]=4 25751 B14R1.14 C#CCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215417 [0,2,0,0,0,0|1,0,1]=4 25752 B14R1.14 C#CCCCSCc1ccc(cc1)Cl 62a_100011215417_100000187161 [0,2,0,0,0,0|1,0,1]=4 25753 B14R1.14 C#CCCCSCc1ccc(cc1)F 62a_100000198546_100011215417 [0,2,0,0,0,0|1,0,1]=4 25754 B14R1.14 C#CCCCSCc1ccc(cc1)F 62a_100011215417_100000187164 [0,2,0,0,0,0|1,0,1]=4 25755 B14R1.14 C#CCCCSCc1ccc(cc1)I 62a_100000189116_100011215417 [0,2,0,0,0,0|1,0,1]=4 25756 B14R1.14 C#CCCCSCc1ccc(cc1)I 62a_100011215417_100000189116 [0,2,0,0,0,0|1,0,1]=4 25757 B14R1.14 C#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000688953 [0,2,0,0,0,0|1,0,1]=4 25758 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755551_100011740612 [0,2,0,0,0,0|1,0,1]=4 25759 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755846_100000688953 [0,2,0,0,0,0|1,0,1]=4 25760 B14R1.14 C#CCCNCCc1ccc(cc1)C 2230a_100000705350_100000688953 [0,2,0,0,0,0|1,0,1]=4 25761 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000705350_100000688953 [0,2,0,0,0,0|1,0,1]=4 25762 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000755551_100011713686 [0,2,0,0,0,0|1,0,1]=4 25763 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000688953 [0,2,0,0,0,0|1,0,1]=4 25764 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000688953 [0,2,0,0,0,0|1,0,1]=4 25765 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000755551_100011713675 [0,2,0,0,0,0|1,0,1]=4 25766 B14R1.14 C#CCCNCCc1ccc(cc1)F 2230a_100000199005_100000688953 [0,2,0,0,0,0|1,0,1]=4 25767 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000199005_100000688953 [0,2,0,0,0,0|1,0,1]=4 25768 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000755551_100011217392 [0,2,0,0,0,0|1,0,1]=4 25769 B14R1.14 C#CCCNCCc1ccc(cc1)O 34a_100000743037_100000688953 [0,2,0,0,0,0|1,0,1]=4 25770 B14R1.14 C#CCCOCCc1ccc(cc1)Br 34a_100000766406_100000688953 [0,2,0,0,0,0|1,0,1]=4 25771 B14R1.14 C#CCCOCCc1ccc(cc1)Br 34a_100011215631_100011740612 [0,2,0,0,0,0|1,0,1]=4 25772 B14R1.14 C#CCCOCCc1ccc(cc1)Br 7a_100000766406_100000688953 [0,2,0,0,0,0|1,0,1]=4 25773 B14R1.14 C#CCCOCCc1ccc(cc1)C 34a_100000756670_100000688953 [0,2,0,0,0,0|1,0,1]=4 25774 B14R1.14 C#CCCOCCc1ccc(cc1)C 34a_100011215631_100011713686 [0,2,0,0,0,0|1,0,1]=4 25775 B14R1.14 C#CCCOCCc1ccc(cc1)C 7a_100000756670_100000688953 [0,2,0,0,0,0|1,0,1]=4 25776 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 34a_100011215631_100011713675 [0,2,0,0,0,0|1,0,1]=4 25777 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000688953 [0,2,0,0,0,0|1,0,1]=4 25778 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000688953 [0,2,0,0,0,0|1,0,1]=4 25779 B14R1.14 C#CCCOCCc1ccc(cc1)F 34a_100000754732_100000688953 [0,2,0,0,0,0|1,0,1]=4 25780 B14R1.14 C#CCCOCCc1ccc(cc1)F 34a_100011215631_100011217392 [0,2,0,0,0,0|1,0,1]=4 25781 B14R1.14 C#CCCOCCc1ccc(cc1)F 7a_100000754732_100000688953 [0,2,0,0,0,0|1,0,1]=4 25782 B14R1.14 C#CCCOCCc1ccc(cc1)I 34a_100012291149_100000688953 [0,2,0,0,0,0|1,0,1]=4 25783 B14R1.14 C#CCCOCCc1ccc(cc1)I 7a_100012291149_100000688953 [0,2,0,0,0,0|1,0,1]=4 25784 B14R1.14 C#CCCOCCc1ccc(cc1)N 34a_100011204434_100000688953 [0,2,0,0,0,0|1,0,1]=4 25785 B14R1.14 C#CCCSCCc1ccc(cc1)Br 62a_100000688953_100011740612 [0,2,0,0,0,0|1,0,1]=4 25786 B14R1.14 C#CCCSCCc1ccc(cc1)Br 62a_100011740612_100000688953 [0,2,0,0,0,0|1,0,1]=4 25787 B14R1.14 C#CCCSCCc1ccc(cc1)C 62a_100000688953_100011713686 [0,2,0,0,0,0|1,0,1]=4 25788 B14R1.14 C#CCCSCCc1ccc(cc1)C 62a_100011713686_100000688953 [0,2,0,0,0,0|1,0,1]=4 25789 B14R1.14 C#CCCSCCc1ccc(cc1)Cl 62a_100000688953_100011713675 [0,2,0,0,0,0|1,0,1]=4 25790 B14R1.14 C#CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000688953 [0,2,0,0,0,0|1,0,1]=4 25791 B14R1.14 C#CCCSCCc1ccc(cc1)F 62a_100000688953_100011217392 [0,2,0,0,0,0|1,0,1]=4 25792 B14R1.14 C#CCCSCCc1ccc(cc1)F 62a_100011217392_100000688953 [0,2,0,0,0,0|1,0,1]=4 25793 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100000688953_100009816426 [0,2,0,0,0,0|1,0,1]=4 25794 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100009816426_100000688953 [0,2,0,0,0,0|1,0,1]=4 25795 B14R1.14 C#CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000038162 [0,2,0,0,0,0|1,0,1]=4 25796 B14R1.14 C#CCNCCCc1ccc(cc1)Br 34a_100000212058_100011713682 [0,2,0,0,0,0|1,0,1]=4 25797 B14R1.14 C#CCNCCCc1ccc(cc1)Br 34a_100011297623_100000184674 [0,2,0,0,0,0|1,0,1]=4 25798 B14R1.14 C#CCNCCCc1ccc(cc1)C 2230a_100011236272_100000038162 [0,2,0,0,0,0|1,0,1]=4 25799 B14R1.14 C#CCNCCCc1ccc(cc1)C 34a_100011236272_100000184674 [0,2,0,0,0,0|1,0,1]=4 25800 B14R1.14 C#CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000038162 [0,2,0,0,0,0|1,0,1]=4 25801 B14R1.14 C#CCNCCCc1ccc(cc1)Cl 34a_100000212058_100000759440 [0,2,0,0,0,0|1,0,1]=4 25802 B14R1.14 C#CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000184674 [0,2,0,0,0,0|1,0,1]=4 25803 B14R1.14 C#CCNCCCc1ccc(cc1)F 2230a_100025745824_100000038162 [0,2,0,0,0,0|1,0,1]=4 25804 B14R1.14 C#CCNCCCc1ccc(cc1)F 34a_100000212058_200011713563 [0,2,0,0,0,0|1,0,1]=4 25805 B14R1.14 C#CCNCCCc1ccc(cc1)F 34a_100025745824_100000184674 [0,2,0,0,0,0|1,0,1]=4 25806 B14R1.14 C#CCOCCCc1ccc(cc1)Br 34a_100000210247_100011713682 [0,2,0,0,0,0|1,0,1]=4 25807 B14R1.14 C#CCOCCCc1ccc(cc1)Br 34a_100011709247_100000184674 [0,2,0,0,0,0|1,0,1]=4 25808 B14R1.14 C#CCOCCCc1ccc(cc1)Br 7a_100011709247_100000038162 [0,2,0,0,0,0|1,0,1]=4 25809 B14R1.14 C#CCOCCCc1ccc(cc1)C 34a_100000189427_100000184674 [0,2,0,0,0,0|1,0,1]=4 25810 B14R1.14 C#CCOCCCc1ccc(cc1)C 7a_100000189427_100000038162 [0,2,0,0,0,0|1,0,1]=4 25811 B14R1.14 C#CCOCCCc1ccc(cc1)Cl 34a_100000210247_100000759440 [0,2,0,0,0,0|1,0,1]=4 25812 B14R1.14 C#CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000184674 [0,2,0,0,0,0|1,0,1]=4 25813 B14R1.14 C#CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000038162 [0,2,0,0,0,0|1,0,1]=4 25814 B14R1.14 C#CCOCCCc1ccc(cc1)F 34a_100000210247_200011713563 [0,2,0,0,0,0|1,0,1]=4 25815 B14R1.14 C#CCOCCCc1ccc(cc1)F 34a_100000757351_100000184674 [0,2,0,0,0,0|1,0,1]=4 25816 B14R1.14 C#CCOCCCc1ccc(cc1)F 7a_100000757351_100000038162 [0,2,0,0,0,0|1,0,1]=4 25817 B14R1.14 C#CCSCCCc1ccc(cc1)Br 62a_100000038162_100011713682 [0,2,0,0,0,0|1,0,1]=4 25818 B14R1.14 C#CCSCCCc1ccc(cc1)Cl 62a_100000038162_100000759440 [0,2,0,0,0,0|1,0,1]=4 25819 B14R1.14 C#CCSCCCc1ccc(cc1)F 62a_100000038162_200011713563 [0,2,0,0,0,0|1,0,1]=4 25820 B14R1.14 C=CCCCCNc1ccc(cc1)Br 2230a_100000210018_100011215482 [0,2,0,0,0,0|1,0,1]=4 25821 B14R1.14 C=CCCCCNc1ccc(cc1)Br 34a_100000210018_100011215482 [0,2,0,0,0,0|1,0,1]=4 25822 B14R1.14 C=CCCCCNc1ccc(cc1)C 34a_100000124888_100011215482 [0,2,0,0,0,0|1,0,1]=4 25823 B14R1.14 C=CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100011215482 [0,2,0,0,0,0|1,0,1]=4 25824 B14R1.14 C=CCCCCNc1ccc(cc1)Cl 34a_100000210052_100011215482 [0,2,0,0,0,0|1,0,1]=4 25825 B14R1.14 C=CCCCCNc1ccc(cc1)F 34a_100000185862_100011215482 [0,2,0,0,0,0|1,0,1]=4 25826 B14R1.14 C=CCCCCNc1ccc(cc1)I 34a_100000185761_100011215482 [0,2,0,0,0,0|1,0,1]=4 25827 B14R1.14 C=CCCCCNc1ccc(cc1)O 34a_100000185829_100011215482 [0,2,0,0,0,0|1,0,1]=4 25828 B14R1.14 C=CCCCCOc1ccc(cc1)Br 34a_100000185759_100011215482 [0,2,0,0,0,0|1,0,1]=4 25829 B14R1.14 C=CCCCCOc1ccc(cc1)Br 7a_100000185759_100011215482 [0,2,0,0,0,0|1,0,1]=4 25830 B14R1.14 C=CCCCCOc1ccc(cc1)C 34a_100000210336_100011215482 [0,2,0,0,0,0|1,0,1]=4 25831 B14R1.14 C=CCCCCOc1ccc(cc1)C 7a_100000210336_100011215482 [0,2,0,0,0,0|1,0,1]=4 25832 B14R1.14 C=CCCCCOc1ccc(cc1)Cl 34a_100000210216_100011215482 [0,2,0,0,0,0|1,0,1]=4 25833 B14R1.14 C=CCCCCOc1ccc(cc1)Cl 7a_100000210216_100011215482 [0,2,0,0,0,0|1,0,1]=4 25834 B14R1.14 C=CCCCCOc1ccc(cc1)F 34a_100000210339_100011215482 [0,2,0,0,0,0|1,0,1]=4 25835 B14R1.14 C=CCCCCOc1ccc(cc1)I 34a_100000212066_100011215482 [0,2,0,0,0,0|1,0,1]=4 25836 B14R1.14 C=CCCCCOc1ccc(cc1)I 7a_100000212066_100011215482 [0,2,0,0,0,0|1,0,1]=4 25837 B14R1.14 C=CCCCCOc1ccc(cc1)N 34a_100000185829_100011215482 [0,2,0,0,0,0|1,0,1]=4 25838 B14R1.14 C=CCCCCSc1ccc(cc1)Br 62a_100000752885_100011215482 [0,2,0,0,0,0|1,0,1]=4 25839 B14R1.14 C=CCCCCSc1ccc(cc1)Br 62a_100011215482_100000752885 [0,2,0,0,0,0|1,0,1]=4 25840 B14R1.14 C=CCCCCSc1ccc(cc1)C 62a_100000186775_100011215482 [0,2,0,0,0,0|1,0,1]=4 25841 B14R1.14 C=CCCCCSc1ccc(cc1)C 62a_100011215482_100000186775 [0,2,0,0,0,0|1,0,1]=4 25842 B14R1.14 C=CCCCCSc1ccc(cc1)Cl 62a_100000755918_100011215482 [0,2,0,0,0,0|1,0,1]=4 25843 B14R1.14 C=CCCCCSc1ccc(cc1)Cl 62a_100011215482_100000755918 [0,2,0,0,0,0|1,0,1]=4 25844 B14R1.14 C=CCCCCSc1ccc(cc1)F 62a_100000211213_100011215482 [0,2,0,0,0,0|1,0,1]=4 25845 B14R1.14 C=CCCCCSc1ccc(cc1)F 62a_100011215482_100000211213 [0,2,0,0,0,0|1,0,1]=4 25846 B14R1.14 C=CCCCCSc1ccc(cc1)N 62a_100000185761_100011215482 [0,2,0,0,0,0|1,0,1]=4 25847 B14R1.14 C=CCCCCSc1ccc(cc1)N 62a_100011215482_100000185761 [0,2,0,0,0,0|1,0,1]=4 25848 B14R1.14 C=CCCCCSc1ccc(cc1)O 62a_100011215482_100000185759 [0,2,0,0,0,0|1,0,1]=4 25849 B14R1.14 C=CCCCNCc1ccc(cc1)Br 2230a_100000174875_100011713584 [0,2,0,0,0,0|1,0,1]=4 25850 B14R1.14 C=CCCCNCc1ccc(cc1)Br 2230a_100000700776_100011217064 [0,2,0,0,0,0|1,0,1]=4 25851 B14R1.14 C=CCCCNCc1ccc(cc1)Br 270004a_100000700776_100000186029 [0,2,0,0,0,0|1,0,1]=4 25852 B14R1.14 C=CCCCNCc1ccc(cc1)Br 34a_100000174875_100000757094 [0,2,0,0,0,0|1,0,1]=4 25853 B14R1.14 C=CCCCNCc1ccc(cc1)Br 34a_100000700776_100000189115 [0,2,0,0,0,0|1,0,1]=4 25854 B14R1.14 C=CCCCNCc1ccc(cc1)C 2230a_100000174908_100011713584 [0,2,0,0,0,0|1,0,1]=4 25855 B14R1.14 C=CCCCNCc1ccc(cc1)C 2230a_100000700776_100000210814 [0,2,0,0,0,0|1,0,1]=4 25856 B14R1.14 C=CCCCNCc1ccc(cc1)C 270004a_100000700776_100000211033 [0,2,0,0,0,0|1,0,1]=4 25857 B14R1.14 C=CCCCNCc1ccc(cc1)C 34a_100000174908_100000757094 [0,2,0,0,0,0|1,0,1]=4 25858 B14R1.14 C=CCCCNCc1ccc(cc1)C 34a_100000700776_100000210814 [0,2,0,0,0,0|1,0,1]=4 25859 B14R1.14 C=CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100011713584 [0,2,0,0,0,0|1,0,1]=4 25860 B14R1.14 C=CCCCNCc1ccc(cc1)Cl 2230a_100000700776_100000694040 [0,2,0,0,0,0|1,0,1]=4 25861 B14R1.14 C=CCCCNCc1ccc(cc1)Cl 270004a_100000700776_100000189385 [0,2,0,0,0,0|1,0,1]=4 25862 B14R1.14 C=CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000757094 [0,2,0,0,0,0|1,0,1]=4 25863 B14R1.14 C=CCCCNCc1ccc(cc1)Cl 34a_100000700776_100000694040 [0,2,0,0,0,0|1,0,1]=4 25864 B14R1.14 C=CCCCNCc1ccc(cc1)F 2230a_100000174882_100011713584 [0,2,0,0,0,0|1,0,1]=4 25865 B14R1.14 C=CCCCNCc1ccc(cc1)F 2230a_100000700776_100000198546 [0,2,0,0,0,0|1,0,1]=4 25866 B14R1.14 C=CCCCNCc1ccc(cc1)F 270004a_100000700776_100000210084 [0,2,0,0,0,0|1,0,1]=4 25867 B14R1.14 C=CCCCNCc1ccc(cc1)F 34a_100000174882_100000757094 [0,2,0,0,0,0|1,0,1]=4 25868 B14R1.14 C=CCCCNCc1ccc(cc1)F 34a_100000700776_100000198546 [0,2,0,0,0,0|1,0,1]=4 25869 B14R1.14 C=CCCCNCc1ccc(cc1)I 2230a_100000700776_100000189116 [0,2,0,0,0,0|1,0,1]=4 25870 B14R1.14 C=CCCCNCc1ccc(cc1)I 2230a_100016989417_100011713584 [0,2,0,0,0,0|1,0,1]=4 25871 B14R1.14 C=CCCCNCc1ccc(cc1)I 34a_100000700776_100000189116 [0,2,0,0,0,0|1,0,1]=4 25872 B14R1.14 C=CCCCNCc1ccc(cc1)I 34a_100016989417_100000757094 [0,2,0,0,0,0|1,0,1]=4 25873 B14R1.14 C=CCCCNCc1ccc(cc1)O 34a_100000185549_100000757094 [0,2,0,0,0,0|1,0,1]=4 25874 B14R1.14 C=CCCCOCc1ccc(cc1)Br 34a_100000695286_100000757094 [0,2,0,0,0,0|1,0,1]=4 25875 B14R1.14 C=CCCCOCc1ccc(cc1)Br 34a_100000758997_100000189115 [0,2,0,0,0,0|1,0,1]=4 25876 B14R1.14 C=CCCCOCc1ccc(cc1)Br 7a_100000758997_100011217064 [0,2,0,0,0,0|1,0,1]=4 25877 B14R1.14 C=CCCCOCc1ccc(cc1)C 34a_100000758997_100000210814 [0,2,0,0,0,0|1,0,1]=4 25878 B14R1.14 C=CCCCOCc1ccc(cc1)C 34a_100011215236_100000757094 [0,2,0,0,0,0|1,0,1]=4 25879 B14R1.14 C=CCCCOCc1ccc(cc1)C 7a_100000758997_100000210814 [0,2,0,0,0,0|1,0,1]=4 25880 B14R1.14 C=CCCCOCc1ccc(cc1)C 7a_100011215236_100000757094 [0,2,0,0,0,0|1,0,1]=4 25881 B14R1.14 C=CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000757094 [0,2,0,0,0,0|1,0,1]=4 25882 B14R1.14 C=CCCCOCc1ccc(cc1)Cl 34a_100000758997_100000694040 [0,2,0,0,0,0|1,0,1]=4 25883 B14R1.14 C=CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000757094 [0,2,0,0,0,0|1,0,1]=4 25884 B14R1.14 C=CCCCOCc1ccc(cc1)Cl 7a_100000758997_100000187161 [0,2,0,0,0,0|1,0,1]=4 25885 B14R1.14 C=CCCCOCc1ccc(cc1)F 34a_100000210977_100000757094 [0,2,0,0,0,0|1,0,1]=4 25886 B14R1.14 C=CCCCOCc1ccc(cc1)F 34a_100000758997_100000198546 [0,2,0,0,0,0|1,0,1]=4 25887 B14R1.14 C=CCCCOCc1ccc(cc1)F 7a_100000210977_100000757094 [0,2,0,0,0,0|1,0,1]=4 25888 B14R1.14 C=CCCCOCc1ccc(cc1)F 7a_100000758997_100000198546 [0,2,0,0,0,0|1,0,1]=4 25889 B14R1.14 C=CCCCOCc1ccc(cc1)I 34a_100000690907_100000757094 [0,2,0,0,0,0|1,0,1]=4 25890 B14R1.14 C=CCCCOCc1ccc(cc1)I 34a_100000758997_100000189116 [0,2,0,0,0,0|1,0,1]=4 25891 B14R1.14 C=CCCCOCc1ccc(cc1)I 7a_100000690907_100000757094 [0,2,0,0,0,0|1,0,1]=4 25892 B14R1.14 C=CCCCOCc1ccc(cc1)I 7a_100000758997_100000189116 [0,2,0,0,0,0|1,0,1]=4 25893 B14R1.14 C=CCCCOCc1ccc(cc1)N 34a_100011215238_100000757094 [0,2,0,0,0,0|1,0,1]=4 25894 B14R1.14 C=CCCCSCc1ccc(cc1)Br 62a_100000189115_100000757094 [0,2,0,0,0,0|1,0,1]=4 25895 B14R1.14 C=CCCCSCc1ccc(cc1)Br 62a_100011713584_100000189115 [0,2,0,0,0,0|1,0,1]=4 25896 B14R1.14 C=CCCCSCc1ccc(cc1)C 62a_100000210814_100000757094 [0,2,0,0,0,0|1,0,1]=4 25897 B14R1.14 C=CCCCSCc1ccc(cc1)C 62a_100011713584_100000210814 [0,2,0,0,0,0|1,0,1]=4 25898 B14R1.14 C=CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000757094 [0,2,0,0,0,0|1,0,1]=4 25899 B14R1.14 C=CCCCSCc1ccc(cc1)Cl 62a_100011713584_100000187161 [0,2,0,0,0,0|1,0,1]=4 25900 B14R1.14 C=CCCCSCc1ccc(cc1)F 62a_100000198546_100000757094 [0,2,0,0,0,0|1,0,1]=4 25901 B14R1.14 C=CCCCSCc1ccc(cc1)F 62a_100011713584_100000187164 [0,2,0,0,0,0|1,0,1]=4 25902 B14R1.14 C=CCCCSCc1ccc(cc1)I 62a_100000189116_100000757094 [0,2,0,0,0,0|1,0,1]=4 25903 B14R1.14 C=CCCCSCc1ccc(cc1)I 62a_100011713584_100000189116 [0,2,0,0,0,0|1,0,1]=4 25904 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000754431 [0,2,0,0,0,0|1,0,1]=4 25905 B14R1.14 C=CCCNCCc1ccc(cc1)Br 2230a_100015191253_100011740612 [0,2,0,0,0,0|1,0,1]=4 25906 B14R1.14 C=CCCNCCc1ccc(cc1)Br 34a_100000755846_100000754431 [0,2,0,0,0,0|1,0,1]=4 25907 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100000705350_100000754431 [0,2,0,0,0,0|1,0,1]=4 25908 B14R1.14 C=CCCNCCc1ccc(cc1)C 2230a_100015191253_100011713686 [0,2,0,0,0,0|1,0,1]=4 25909 B14R1.14 C=CCCNCCc1ccc(cc1)C 34a_100000705350_100000754431 [0,2,0,0,0,0|1,0,1]=4 25910 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000754431 [0,2,0,0,0,0|1,0,1]=4 25911 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 2230a_100015191253_100011713675 [0,2,0,0,0,0|1,0,1]=4 25912 B14R1.14 C=CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000754431 [0,2,0,0,0,0|1,0,1]=4 25913 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100000199005_100000754431 [0,2,0,0,0,0|1,0,1]=4 25914 B14R1.14 C=CCCNCCc1ccc(cc1)F 2230a_100015191253_100011217392 [0,2,0,0,0,0|1,0,1]=4 25915 B14R1.14 C=CCCNCCc1ccc(cc1)F 34a_100000199005_100000754431 [0,2,0,0,0,0|1,0,1]=4 25916 B14R1.14 C=CCCNCCc1ccc(cc1)O 2230a_100015191253_100009816426 [0,2,0,0,0,0|1,0,1]=4 25917 B14R1.14 C=CCCNCCc1ccc(cc1)O 34a_100000743037_100000754431 [0,2,0,0,0,0|1,0,1]=4 25918 B14R1.14 C=CCCOCCc1ccc(cc1)Br 34a_100000766406_100000754431 [0,2,0,0,0,0|1,0,1]=4 25919 B14R1.14 C=CCCOCCc1ccc(cc1)Br 34a_100011205117_100011740612 [0,2,0,0,0,0|1,0,1]=4 25920 B14R1.14 C=CCCOCCc1ccc(cc1)Br 7a_100000766406_100000754431 [0,2,0,0,0,0|1,0,1]=4 25921 B14R1.14 C=CCCOCCc1ccc(cc1)C 34a_100000756670_100000754431 [0,2,0,0,0,0|1,0,1]=4 25922 B14R1.14 C=CCCOCCc1ccc(cc1)C 34a_100011205117_100011713686 [0,2,0,0,0,0|1,0,1]=4 25923 B14R1.14 C=CCCOCCc1ccc(cc1)C 7a_100000756670_100000754431 [0,2,0,0,0,0|1,0,1]=4 25924 B14R1.14 C=CCCOCCc1ccc(cc1)Cl 34a_100011205117_100011713675 [0,2,0,0,0,0|1,0,1]=4 25925 B14R1.14 C=CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000754431 [0,2,0,0,0,0|1,0,1]=4 25926 B14R1.14 C=CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000754431 [0,2,0,0,0,0|1,0,1]=4 25927 B14R1.14 C=CCCOCCc1ccc(cc1)F 34a_100000754732_100000754431 [0,2,0,0,0,0|1,0,1]=4 25928 B14R1.14 C=CCCOCCc1ccc(cc1)F 34a_100011205117_100011217392 [0,2,0,0,0,0|1,0,1]=4 25929 B14R1.14 C=CCCOCCc1ccc(cc1)F 7a_100000754732_100000754431 [0,2,0,0,0,0|1,0,1]=4 25930 B14R1.14 C=CCCOCCc1ccc(cc1)I 34a_100012291149_100000754431 [0,2,0,0,0,0|1,0,1]=4 25931 B14R1.14 C=CCCOCCc1ccc(cc1)I 7a_100012291149_100000754431 [0,2,0,0,0,0|1,0,1]=4 25932 B14R1.14 C=CCCOCCc1ccc(cc1)N 34a_100011204434_100000754431 [0,2,0,0,0,0|1,0,1]=4 25933 B14R1.14 C=CCCSCCc1ccc(cc1)Br 62a_100000754431_100011740612 [0,2,0,0,0,0|1,0,1]=4 25934 B14R1.14 C=CCCSCCc1ccc(cc1)Br 62a_100011740612_100000754431 [0,2,0,0,0,0|1,0,1]=4 25935 B14R1.14 C=CCCSCCc1ccc(cc1)C 62a_100000754431_100011713686 [0,2,0,0,0,0|1,0,1]=4 25936 B14R1.14 C=CCCSCCc1ccc(cc1)C 62a_100011713686_100000754431 [0,2,0,0,0,0|1,0,1]=4 25937 B14R1.14 C=CCCSCCc1ccc(cc1)Cl 62a_100000754431_100011713675 [0,2,0,0,0,0|1,0,1]=4 25938 B14R1.14 C=CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000754431 [0,2,0,0,0,0|1,0,1]=4 25939 B14R1.14 C=CCCSCCc1ccc(cc1)F 62a_100000754431_100011217392 [0,2,0,0,0,0|1,0,1]=4 25940 B14R1.14 C=CCCSCCc1ccc(cc1)F 62a_100011217392_100000754431 [0,2,0,0,0,0|1,0,1]=4 25941 B14R1.14 C=CCCSCCc1ccc(cc1)O 62a_100000754431_100009816426 [0,2,0,0,0,0|1,0,1]=4 25942 B14R1.14 C=CCCSCCc1ccc(cc1)O 62a_100009816426_100000754431 [0,2,0,0,0,0|1,0,1]=4 25943 B14R1.14 C=CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210623 [0,2,0,0,0,0|1,0,1]=4 25944 B14R1.14 C=CCNCCCc1ccc(cc1)Br 2230a_100020586998_100011713682 [0,2,0,0,0,0|1,0,1]=4 25945 B14R1.14 C=CCNCCCc1ccc(cc1)Br 34a_100011297623_100015514636 [0,2,0,0,0,0|1,0,1]=4 25946 B14R1.14 C=CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210623 [0,2,0,0,0,0|1,0,1]=4 25947 B14R1.14 C=CCNCCCc1ccc(cc1)C 34a_100011236272_100015514636 [0,2,0,0,0,0|1,0,1]=4 25948 B14R1.14 C=CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210623 [0,2,0,0,0,0|1,0,1]=4 25949 B14R1.14 C=CCNCCCc1ccc(cc1)Cl 2230a_100020586998_100000759440 [0,2,0,0,0,0|1,0,1]=4 25950 B14R1.14 C=CCNCCCc1ccc(cc1)Cl 34a_100000748451_100015514636 [0,2,0,0,0,0|1,0,1]=4 25951 B14R1.14 C=CCNCCCc1ccc(cc1)F 2230a_100020586998_200011713563 [0,2,0,0,0,0|1,0,1]=4 25952 B14R1.14 C=CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210623 [0,2,0,0,0,0|1,0,1]=4 25953 B14R1.14 C=CCNCCCc1ccc(cc1)F 34a_100025745824_100015514636 [0,2,0,0,0,0|1,0,1]=4 25954 B14R1.14 C=CCOCCCc1ccc(cc1)Br 34a_100011709247_100015514636 [0,2,0,0,0,0|1,0,1]=4 25955 B14R1.14 C=CCOCCCc1ccc(cc1)Br 34a_200000210373_100011713682 [0,2,0,0,0,0|1,0,1]=4 25956 B14R1.14 C=CCOCCCc1ccc(cc1)Br 7a_100011709247_100015514636 [0,2,0,0,0,0|1,0,1]=4 25957 B14R1.14 C=CCOCCCc1ccc(cc1)C 34a_100000189427_100015514636 [0,2,0,0,0,0|1,0,1]=4 25958 B14R1.14 C=CCOCCCc1ccc(cc1)C 7a_100000189427_100015514636 [0,2,0,0,0,0|1,0,1]=4 25959 B14R1.14 C=CCOCCCc1ccc(cc1)Cl 34a_100011217485_100015514636 [0,2,0,0,0,0|1,0,1]=4 25960 B14R1.14 C=CCOCCCc1ccc(cc1)Cl 34a_200000210373_100000759440 [0,2,0,0,0,0|1,0,1]=4 25961 B14R1.14 C=CCOCCCc1ccc(cc1)Cl 7a_100011217485_100015514636 [0,2,0,0,0,0|1,0,1]=4 25962 B14R1.14 C=CCOCCCc1ccc(cc1)F 34a_100000757351_100015514636 [0,2,0,0,0,0|1,0,1]=4 25963 B14R1.14 C=CCOCCCc1ccc(cc1)F 34a_200000210373_200011713563 [0,2,0,0,0,0|1,0,1]=4 25964 B14R1.14 C=CCOCCCc1ccc(cc1)F 7a_100000757351_100015514636 [0,2,0,0,0,0|1,0,1]=4 25965 B14R1.14 C=CCSCCCc1ccc(cc1)Br 62a_100000210623_100011713682 [0,2,0,0,0,0|1,0,1]=4 25966 B14R1.14 C=CCSCCCc1ccc(cc1)Br 62a_100011713682_100000210623 [0,2,0,0,0,0|1,0,1]=4 25967 B14R1.14 C=CCSCCCc1ccc(cc1)Cl 62a_100000210623_100000759440 [0,2,0,0,0,0|1,0,1]=4 25968 B14R1.14 C=CCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210623 [0,2,0,0,0,0|1,0,1]=4 25969 B14R1.14 C=CCSCCCc1ccc(cc1)F 62a_100000210623_200011713563 [0,2,0,0,0,0|1,0,1]=4 25970 B14R1.14 C=CCSCCCc1ccc(cc1)F 62a_200011713563_100000210623 [0,2,0,0,0,0|1,0,1]=4 25971 B14R1.14 CCCCCC=Cc1ccc(cc1)Br 271570a_100000062253_100000752885 [0,2,0,0,0,0|1,0,1]=4 25972 B14R1.14 CCCCCC=Cc1ccc(cc1)C 271570a_100000062253_100000186775 [0,2,0,0,0,0|1,0,1]=4 25973 B14R1.14 CCCCCC=Cc1ccc(cc1)Cl 271570a_100000062253_100000755918 [0,2,0,0,0,0|1,0,1]=4 25974 B14R1.14 CCCCCC=Cc1ccc(cc1)F 271570a_100000062253_100000211213 [0,2,0,0,0,0|1,0,1]=4 25975 B14R1.14 CCCCCC=Cc1ccc(cc1)N 271570a_100000062253_100000185761 [0,2,0,0,0,0|1,0,1]=4 25976 B14R1.14 CCCCCC=Cc1ccc(cc1)O 271570a_100000062253_100000185759 [0,2,0,0,0,0|1,0,1]=4 25977 B14R1.14 CCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813667 [0,2,0,0,0,0|1,0,0]=3 25978 B14R1.14 CCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210314 [0,2,0,0,0,0|1,0,0]=3 25979 B14R1.14 CCCCCCNc1ccc(cc1)Br 34a_100000210018_100000210314 [0,2,0,0,0,0|1,0,0]=3 25980 B14R1.14 CCCCCCNc1ccc(cc1)C 34a_100000124888_100000210314 [0,2,0,0,0,0|1,0,0]=3 25981 B14R1.14 CCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210314 [0,2,0,0,0,0|1,0,0]=3 25982 B14R1.14 CCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000210314 [0,2,0,0,0,0|1,0,0]=3 25983 B14R1.14 CCCCCCNc1ccc(cc1)F 34a_100000185862_100000210314 [0,2,0,0,0,0|1,0,0]=3 25984 B14R1.14 CCCCCCNc1ccc(cc1)I 34a_100000185761_100000210314 [0,2,0,0,0,0|1,0,0]=3 25985 B14R1.14 CCCCCCNc1ccc(cc1)O 34a_100000185829_100000210314 [0,2,0,0,0,0|1,0,0]=3 25986 B14R1.14 CCCCCCNc1ccc(cn1)Br 27a_100000210581_100000686858 [0,2,0,0,0,0|2,0,0]=4 25987 B14R1.14 CCCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210314 [0,2,0,0,0,0|2,0,0]=4 25988 B14R1.14 CCCCCCOc1ccc(cc1)Br 34a_100000185759_100000210314 [0,2,0,0,0,0|1,0,0]=3 25989 B14R1.14 CCCCCCOc1ccc(cc1)Br 7a_100000185759_100000210314 [0,2,0,0,0,0|1,0,0]=3 25990 B14R1.14 CCCCCCOc1ccc(cc1)C 34a_100000210336_100000210314 [0,2,0,0,0,0|1,0,0]=3 25991 B14R1.14 CCCCCCOc1ccc(cc1)C 7a_100000210336_100000210314 [0,2,0,0,0,0|1,0,0]=3 25992 B14R1.14 CCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000210314 [0,2,0,0,0,0|1,0,0]=3 25993 B14R1.14 CCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210314 [0,2,0,0,0,0|1,0,0]=3 25994 B14R1.14 CCCCCCOc1ccc(cc1)F 34a_100000210339_100000210314 [0,2,0,0,0,0|1,0,0]=3 25995 B14R1.14 CCCCCCOc1ccc(cc1)I 34a_100000212066_100000210314 [0,2,0,0,0,0|1,0,0]=3 25996 B14R1.14 CCCCCCOc1ccc(cc1)I 7a_100000212066_100000210314 [0,2,0,0,0,0|1,0,0]=3 25997 B14R1.14 CCCCCCOc1ccc(cc1)N 34a_100000185829_100000210314 [0,2,0,0,0,0|1,0,0]=3 25998 B14R1.14 CCCCCCOc1ccc(cc1)O 271570a_203496583355_100011216197 [0,2,0,0,0,0|1,0,0]=3 25999 B14R1.14 CCCCCCOc1ccc(cn1)C 34a_100000759353_100000210314 [0,2,0,0,0,0|2,0,0]=4 26000 B14R1.14 CCCCCCOc1ccc(cn1)Cl 34a_100011215309_100000210314 [0,2,0,0,0,0|2,0,0]=4 26001 B14R1.14 CCCCCCOc1ccc(cn1)F 34a_100000742473_100000210314 [0,2,0,0,0,0|2,0,0]=4 26002 B14R1.14 CCCCCCOc1ccc(cn1)N 34a_100000729260_100000210314 [0,2,0,0,0,0|2,0,0]=4 26003 B14R1.14 CCCCCCOc1ccc(nc1)Br 34a_100000685995_100000210314 [0,2,0,0,0,0|2,0,0]=4 26004 B14R1.14 CCCCCCOc1ccc(nc1)Br 7a_100000685995_100000210314 [0,2,0,0,0,0|2,0,0]=4 26005 B14R1.14 CCCCCCOc1ccc(nc1)C 34a_100000745506_100000210314 [0,2,0,0,0,0|2,0,0]=4 26006 B14R1.14 CCCCCCOc1ccc(nc1)C 7a_100000745506_100000210314 [0,2,0,0,0,0|2,0,0]=4 26007 B14R1.14 CCCCCCOc1ccc(nc1)Cl 34a_100000744096_100000210314 [0,2,0,0,0,0|2,0,0]=4 26008 B14R1.14 CCCCCCOc1ccc(nc1)Cl 7a_100000744096_100000210314 [0,2,0,0,0,0|2,0,0]=4 26009 B14R1.14 CCCCCCOc1ccc(nc1)F 34a_100000688820_100000210314 [0,2,0,0,0,0|2,0,0]=4 26010 B14R1.14 CCCCCCOc1ccc(nc1)F 7a_100000688820_100000210314 [0,2,0,0,0,0|2,0,0]=4 26011 B14R1.14 CCCCCCOc1ccc(nc1)I 34a_100000687607_100000210314 [0,2,0,0,0,0|2,0,0]=4 26012 B14R1.14 CCCCCCOc1ccc(nc1)I 7a_100000687607_100000210314 [0,2,0,0,0,0|2,0,0]=4 26013 B14R1.14 CCCCCCOc1ccc(nc1)N 34a_100015188713_100000210314 [0,2,0,0,0,0|2,0,0]=4 26014 B14R1.14 CCCCCCOc1ccc(nc1)N 7a_100015188713_100000210314 [0,2,0,0,0,0|2,0,0]=4 26015 B14R1.14 CCCCCCSc1cc[n+](cc1)[O-] 62a_100000210314_100000039755 [0,2,0,0,0,0|2,0,0]=4 26016 B14R1.14 CCCCCCSc1ccc(=O)[nH]c1 62a_100000210314_100000212171 [0,2,0,0,0,0|2,0,0]=4 26017 B14R1.14 CCCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000210757 [0,2,0,0,0,0|2,0,0]=4 26018 B14R1.14 CCCCCCSc1ccc(cc1)Br 62a_100000210314_100000752885 [0,2,0,0,0,0|1,0,0]=3 26019 B14R1.14 CCCCCCSc1ccc(cc1)Br 62a_100000752885_100000210757 [0,2,0,0,0,0|1,0,0]=3 26020 B14R1.14 CCCCCCSc1ccc(cc1)C 62a_100000186775_100000210757 [0,2,0,0,0,0|1,0,0]=3 26021 B14R1.14 CCCCCCSc1ccc(cc1)C 62a_100000210314_100000186775 [0,2,0,0,0,0|1,0,0]=3 26022 B14R1.14 CCCCCCSc1ccc(cc1)Cl 62a_100000210314_100000755918 [0,2,0,0,0,0|1,0,0]=3 26023 B14R1.14 CCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210757 [0,2,0,0,0,0|1,0,0]=3 26024 B14R1.14 CCCCCCSc1ccc(cc1)F 62a_100000210314_100000211213 [0,2,0,0,0,0|1,0,0]=3 26025 B14R1.14 CCCCCCSc1ccc(cc1)F 62a_100000211213_100000210757 [0,2,0,0,0,0|1,0,0]=3 26026 B14R1.14 CCCCCCSc1ccc(cc1)N 62a_100000185761_100000210757 [0,2,0,0,0,0|1,0,0]=3 26027 B14R1.14 CCCCCCSc1ccc(cc1)N 62a_100000210314_100000185761 [0,2,0,0,0,0|1,0,0]=3 26028 B14R1.14 CCCCCCSc1ccc(cc1)O 62a_100000210314_100000185759 [0,2,0,0,0,0|1,0,0]=3 26029 B14R1.14 CCCCCCSc1ccc(cn1)Br 62a_100000210314_100000686858 [0,2,0,0,0,0|2,0,0]=4 26030 B14R1.14 CCCCCCSc1ccc(cn1)Br 62a_100000686858_100000210757 [0,2,0,0,0,0|2,0,0]=4 26031 B14R1.14 CCCCCCSc1ccc(cn1)C 62a_100000210314_100000754016 [0,2,0,0,0,0|2,0,0]=4 26032 B14R1.14 CCCCCCSc1ccc(cn1)C 62a_100011192072_100000210757 [0,2,0,0,0,0|2,0,0]=4 26033 B14R1.14 CCCCCCSc1ccc(cn1)Cl 62a_100000210314_100011356976 [0,2,0,0,0,0|2,0,0]=4 26034 B14R1.14 CCCCCCSc1ccc(cn1)Cl 62a_100011356976_100000210757 [0,2,0,0,0,0|2,0,0]=4 26035 B14R1.14 CCCCCCSc1ccc(cn1)F 62a_100000210314_100000744514 [0,2,0,0,0,0|2,0,0]=4 26036 B14R1.14 CCCCCCSc1ccc(cn1)F 62a_100000744514_100000210757 [0,2,0,0,0,0|2,0,0]=4 26037 B14R1.14 CCCCCCSc1ccc(cn1)N 62a_100000210314_100000737798 [0,2,0,0,0,0|2,0,0]=4 26038 B14R1.14 CCCCCCSc1ccc(cn1)N 62a_100000737798_100000210757 [0,2,0,0,0,0|2,0,0]=4 26039 B14R1.14 CCCCCCSc1ccc(cn1)O 62a_100000210314_100000744096 [0,2,0,0,0,0|2,0,0]=4 26040 B14R1.14 CCCCCCSc1ccc(cn1)O 62a_100000685995_100000210757 [0,2,0,0,0,0|2,0,0]=4 26041 B14R1.14 CCCCCCSc1ccc(nc1)Br 62a_100000210314_100009814638 [0,2,0,0,0,0|2,0,0]=4 26042 B14R1.14 CCCCCCSc1ccc(nc1)Br 62a_100009814638_100000210757 [0,2,0,0,0,0|2,0,0]=4 26043 B14R1.14 CCCCCCSc1ccc(nc1)C 62a_100000210314_100000751577 [0,2,0,0,0,0|2,0,0]=4 26044 B14R1.14 CCCCCCSc1ccc(nc1)C 62a_100000751577_100000210757 [0,2,0,0,0,0|2,0,0]=4 26045 B14R1.14 CCCCCCSc1ccc(nc1)Cl 62a_100000034144_100000210757 [0,2,0,0,0,0|2,0,0]=4 26046 B14R1.14 CCCCCCSc1ccc(nc1)Cl 62a_100000210314_100000034144 [0,2,0,0,0,0|2,0,0]=4 26047 B14R1.14 CCCCCCSc1ccc(nc1)F 62a_100000042367_100000210757 [0,2,0,0,0,0|2,0,0]=4 26048 B14R1.14 CCCCCCSc1ccc(nc1)F 62a_100000210314_100000042367 [0,2,0,0,0,0|2,0,0]=4 26049 B14R1.14 CCCCCCSc1ccc(nc1)N 62a_100000187370_100000210757 [0,2,0,0,0,0|2,0,0]=4 26050 B14R1.14 CCCCCCSc1ccc(nc1)N 62a_100000210314_100000187370 [0,2,0,0,0,0|2,0,0]=4 26051 B14R1.14 CCCCCNCc1ccc(cc1)Br 207a_100000209983_100000186029 [0,2,0,0,0,0|1,0,0]=3 26052 B14R1.14 CCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210326 [0,2,0,0,0,0|1,0,0]=3 26053 B14R1.14 CCCCCNCc1ccc(cc1)Br 2230a_100000209983_100011217064 [0,2,0,0,0,0|1,0,0]=3 26054 B14R1.14 CCCCCNCc1ccc(cc1)Br 270004a_100000209983_100000186029 [0,2,0,0,0,0|1,0,0]=3 26055 B14R1.14 CCCCCNCc1ccc(cc1)Br 34a_100000174875_100000718602 [0,2,0,0,0,0|1,0,0]=3 26056 B14R1.14 CCCCCNCc1ccc(cc1)C 207a_100000209983_100000211033 [0,2,0,0,0,0|1,0,0]=3 26057 B14R1.14 CCCCCNCc1ccc(cc1)C 2230a_100000174908_100000210326 [0,2,0,0,0,0|1,0,0]=3 26058 B14R1.14 CCCCCNCc1ccc(cc1)C 2230a_100000209983_100000210814 [0,2,0,0,0,0|1,0,0]=3 26059 B14R1.14 CCCCCNCc1ccc(cc1)C 270004a_100000209983_100000211033 [0,2,0,0,0,0|1,0,0]=3 26060 B14R1.14 CCCCCNCc1ccc(cc1)C 34a_100000174908_100000718602 [0,2,0,0,0,0|1,0,0]=3 26061 B14R1.14 CCCCCNCc1ccc(cc1)Cl 207a_100000209983_100000189385 [0,2,0,0,0,0|1,0,0]=3 26062 B14R1.14 CCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210326 [0,2,0,0,0,0|1,0,0]=3 26063 B14R1.14 CCCCCNCc1ccc(cc1)Cl 2230a_100000209983_100000694040 [0,2,0,0,0,0|1,0,0]=3 26064 B14R1.14 CCCCCNCc1ccc(cc1)Cl 270004a_100000209983_100000189385 [0,2,0,0,0,0|1,0,0]=3 26065 B14R1.14 CCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000718602 [0,2,0,0,0,0|1,0,0]=3 26066 B14R1.14 CCCCCNCc1ccc(cc1)F 207a_100000209983_100000210084 [0,2,0,0,0,0|1,0,0]=3 26067 B14R1.14 CCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210326 [0,2,0,0,0,0|1,0,0]=3 26068 B14R1.14 CCCCCNCc1ccc(cc1)F 2230a_100000209983_100000198546 [0,2,0,0,0,0|1,0,0]=3 26069 B14R1.14 CCCCCNCc1ccc(cc1)F 270004a_100000209983_100000210084 [0,2,0,0,0,0|1,0,0]=3 26070 B14R1.14 CCCCCNCc1ccc(cc1)F 34a_100000174882_100000718602 [0,2,0,0,0,0|1,0,0]=3 26071 B14R1.14 CCCCCNCc1ccc(cc1)I 207a_100000209983_100000188517 [0,2,0,0,0,0|1,0,0]=3 26072 B14R1.14 CCCCCNCc1ccc(cc1)I 2230a_100000209983_100000189116 [0,2,0,0,0,0|1,0,0]=3 26073 B14R1.14 CCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210326 [0,2,0,0,0,0|1,0,0]=3 26074 B14R1.14 CCCCCNCc1ccc(cc1)I 34a_100016989417_100000718602 [0,2,0,0,0,0|1,0,0]=3 26075 B14R1.14 CCCCCNCc1ccc(cc1)O 34a_100000185549_100000718602 [0,2,0,0,0,0|1,0,0]=3 26076 B14R1.14 CCCCCNCc1ccc(cn1)Br 207a_100000209983_100000754260 [0,2,0,0,0,0|2,0,0]=4 26077 B14R1.14 CCCCCNCc1ccc(cn1)Br 2230a_100000209983_100000702658 [0,2,0,0,0,0|2,0,0]=4 26078 B14R1.14 CCCCCNCc1ccc(cn1)Br 270004a_100000209983_100000754260 [0,2,0,0,0,0|2,0,0]=4 26079 B14R1.14 CCCCCNCc1ccc(cn1)Br 34a_100015188789_100000718602 [0,2,0,0,0,0|2,0,0]=4 26080 B14R1.14 CCCCCNCc1ccc(cn1)C 207a_100000209983_100000050478 [0,2,0,0,0,0|2,0,0]=4 26081 B14R1.14 CCCCCNCc1ccc(cn1)C 2230a_100000209983_100000691093 [0,2,0,0,0,0|2,0,0]=4 26082 B14R1.14 CCCCCNCc1ccc(cn1)C 270004a_100000209983_100000050478 [0,2,0,0,0,0|2,0,0]=4 26083 B14R1.14 CCCCCNCc1ccc(cn1)C 34a_100015187455_100000718602 [0,2,0,0,0,0|2,0,0]=4 26084 B14R1.14 CCCCCNCc1ccc(cn1)Cl 207a_100000209983_100011361569 [0,2,0,0,0,0|2,0,0]=4 26085 B14R1.14 CCCCCNCc1ccc(cn1)Cl 2230a_100000209983_100012066911 [0,2,0,0,0,0|2,0,0]=4 26086 B14R1.14 CCCCCNCc1ccc(cn1)Cl 270004a_100000209983_100011361569 [0,2,0,0,0,0|2,0,0]=4 26087 B14R1.14 CCCCCNCc1ccc(cn1)Cl 34a_100000697193_100000718602 [0,2,0,0,0,0|2,0,0]=4 26088 B14R1.14 CCCCCNCc1ccc(cn1)F 207a_100000209983_100011934744 [0,2,0,0,0,0|2,0,0]=4 26089 B14R1.14 CCCCCNCc1ccc(cn1)F 2230a_100000209983_100000703193 [0,2,0,0,0,0|2,0,0]=4 26090 B14R1.14 CCCCCNCc1ccc(cn1)F 270004a_100000209983_100011934744 [0,2,0,0,0,0|2,0,0]=4 26091 B14R1.14 CCCCCNCc1ccc(cn1)F 34a_100020620131_100000718602 [0,2,0,0,0,0|2,0,0]=4 26092 B14R1.14 CCCCCNCc1ccc(nc1)Br 2230a_100000209983_100009831999 [0,2,0,0,0,0|2,0,0]=4 26093 B14R1.14 CCCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210326 [0,2,0,0,0,0|2,0,0]=4 26094 B14R1.14 CCCCCNCc1ccc(nc1)Br 34a_100009817727_100000718602 [0,2,0,0,0,0|2,0,0]=4 26095 B14R1.14 CCCCCNCc1ccc(nc1)C 2230a_100000209983_100016987292 [0,2,0,0,0,0|2,0,0]=4 26096 B14R1.14 CCCCCNCc1ccc(nc1)C 270004a_100000209983_100000743784 [0,2,0,0,0,0|2,0,0]=4 26097 B14R1.14 CCCCCNCc1ccc(nc1)C 34a_100000740942_100000718602 [0,2,0,0,0,0|2,0,0]=4 26098 B14R1.14 CCCCCNCc1ccc(nc1)Cl 2230a_100000209983_100000735431 [0,2,0,0,0,0|2,0,0]=4 26099 B14R1.14 CCCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210326 [0,2,0,0,0,0|2,0,0]=4 26100 B14R1.14 CCCCCNCc1ccc(nc1)Cl 34a_100000735879_100000718602 [0,2,0,0,0,0|2,0,0]=4 26101 B14R1.14 CCCCCNCc1ccc(nc1)F 2230a_100000101913_100000210326 [0,2,0,0,0,0|2,0,0]=4 26102 B14R1.14 CCCCCNCc1ccc(nc1)F 2230a_100000209983_100009820150 [0,2,0,0,0,0|2,0,0]=4 26103 B14R1.14 CCCCCNCc1ccc(nc1)F 34a_100000101913_100000718602 [0,2,0,0,0,0|2,0,0]=4 26104 B14R1.14 CCCCCNCc1ccc(nc1)O 207a_100000209983_100011361521 [0,2,0,0,0,0|2,0,0]=4 26105 B14R1.14 CCCCCNCc1ccc(nc1)O 2230a_100000757128_100000210326 [0,2,0,0,0,0|2,0,0]=4 26106 B14R1.14 CCCCCOCc1cc[n+](cc1)C 34a_100009831711_100000718602 [0,2,0,0,0,0|2,0,0]=4 26107 B14R1.14 CCCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000718602 [0,2,0,0,0,0|2,0,0]=4 26108 B14R1.14 CCCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210326 [0,2,0,0,0,0|2,0,0]=4 26109 B14R1.14 CCCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000718602 [0,2,0,0,0,0|2,0,0]=4 26110 B14R1.14 CCCCCOCc1ccc(cc1)Br 34a_100000210253_100000189115 [0,2,0,0,0,0|1,0,0]=3 26111 B14R1.14 CCCCCOCc1ccc(cc1)Br 34a_100000695286_100000718602 [0,2,0,0,0,0|1,0,0]=3 26112 B14R1.14 CCCCCOCc1ccc(cc1)Br 7a_100000210253_100011217064 [0,2,0,0,0,0|1,0,0]=3 26113 B14R1.14 CCCCCOCc1ccc(cc1)C 34a_100000210253_100000210814 [0,2,0,0,0,0|1,0,0]=3 26114 B14R1.14 CCCCCOCc1ccc(cc1)C 34a_100011215236_100000718602 [0,2,0,0,0,0|1,0,0]=3 26115 B14R1.14 CCCCCOCc1ccc(cc1)C 7a_100000210253_100000210814 [0,2,0,0,0,0|1,0,0]=3 26116 B14R1.14 CCCCCOCc1ccc(cc1)C 7a_100011215236_100000210326 [0,2,0,0,0,0|1,0,0]=3 26117 B14R1.14 CCCCCOCc1ccc(cc1)Cl 34a_100000210253_100000694040 [0,2,0,0,0,0|1,0,0]=3 26118 B14R1.14 CCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000718602 [0,2,0,0,0,0|1,0,0]=3 26119 B14R1.14 CCCCCOCc1ccc(cc1)Cl 7a_100000210253_100000187161 [0,2,0,0,0,0|1,0,0]=3 26120 B14R1.14 CCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210326 [0,2,0,0,0,0|1,0,0]=3 26121 B14R1.14 CCCCCOCc1ccc(cc1)F 34a_100000210253_100000198546 [0,2,0,0,0,0|1,0,0]=3 26122 B14R1.14 CCCCCOCc1ccc(cc1)F 34a_100000210977_100000718602 [0,2,0,0,0,0|1,0,0]=3 26123 B14R1.14 CCCCCOCc1ccc(cc1)F 7a_100000210253_100000198546 [0,2,0,0,0,0|1,0,0]=3 26124 B14R1.14 CCCCCOCc1ccc(cc1)F 7a_100000210977_100000210326 [0,2,0,0,0,0|1,0,0]=3 26125 B14R1.14 CCCCCOCc1ccc(cc1)I 34a_100000210253_100000189116 [0,2,0,0,0,0|1,0,0]=3 26126 B14R1.14 CCCCCOCc1ccc(cc1)I 34a_100000690907_100000718602 [0,2,0,0,0,0|1,0,0]=3 26127 B14R1.14 CCCCCOCc1ccc(cc1)I 7a_100000210253_100000189116 [0,2,0,0,0,0|1,0,0]=3 26128 B14R1.14 CCCCCOCc1ccc(cc1)I 7a_100000690907_100000210326 [0,2,0,0,0,0|1,0,0]=3 26129 B14R1.14 CCCCCOCc1ccc(cc1)N 34a_100011215238_100000718602 [0,2,0,0,0,0|1,0,0]=3 26130 B14R1.14 CCCCCOCc1ccc(cn1)Br 34a_100000210253_100000702658 [0,2,0,0,0,0|2,0,0]=4 26131 B14R1.14 CCCCCOCc1ccc(cn1)Br 34a_100000754261_100000718602 [0,2,0,0,0,0|2,0,0]=4 26132 B14R1.14 CCCCCOCc1ccc(cn1)Br 7a_100000210253_100000702658 [0,2,0,0,0,0|2,0,0]=4 26133 B14R1.14 CCCCCOCc1ccc(cn1)C 34a_100000210253_100000691093 [0,2,0,0,0,0|2,0,0]=4 26134 B14R1.14 CCCCCOCc1ccc(cn1)C 34a_100012001401_100000718602 [0,2,0,0,0,0|2,0,0]=4 26135 B14R1.14 CCCCCOCc1ccc(cn1)C 7a_100000210253_100000691093 [0,2,0,0,0,0|2,0,0]=4 26136 B14R1.14 CCCCCOCc1ccc(cn1)Cl 34a_100000210253_100012066911 [0,2,0,0,0,0|2,0,0]=4 26137 B14R1.14 CCCCCOCc1ccc(cn1)Cl 34a_100000703999_100000718602 [0,2,0,0,0,0|2,0,0]=4 26138 B14R1.14 CCCCCOCc1ccc(cn1)Cl 7a_100000210253_100012066911 [0,2,0,0,0,0|2,0,0]=4 26139 B14R1.14 CCCCCOCc1ccc(cn1)F 34a_100000210253_100000703193 [0,2,0,0,0,0|2,0,0]=4 26140 B14R1.14 CCCCCOCc1ccc(cn1)F 34a_100011999454_100000718602 [0,2,0,0,0,0|2,0,0]=4 26141 B14R1.14 CCCCCOCc1ccc(cn1)F 7a_100000210253_100000703193 [0,2,0,0,0,0|2,0,0]=4 26142 B14R1.14 CCCCCOCc1ccc(cn1)N 34a_100011998161_100000718602 [0,2,0,0,0,0|2,0,0]=4 26143 B14R1.14 CCCCCOCc1ccc(nc1)Br 34a_100000210253_100009831999 [0,2,0,0,0,0|2,0,0]=4 26144 B14R1.14 CCCCCOCc1ccc(nc1)Br 34a_100009816760_100000718602 [0,2,0,0,0,0|2,0,0]=4 26145 B14R1.14 CCCCCOCc1ccc(nc1)Br 7a_100000210253_100009831999 [0,2,0,0,0,0|2,0,0]=4 26146 B14R1.14 CCCCCOCc1ccc(nc1)Br 7a_100009816760_100000210326 [0,2,0,0,0,0|2,0,0]=4 26147 B14R1.14 CCCCCOCc1ccc(nc1)C 34a_100000210253_100016987292 [0,2,0,0,0,0|2,0,0]=4 26148 B14R1.14 CCCCCOCc1ccc(nc1)C 34a_100011248133_100000718602 [0,2,0,0,0,0|2,0,0]=4 26149 B14R1.14 CCCCCOCc1ccc(nc1)C 7a_100000210253_100016987292 [0,2,0,0,0,0|2,0,0]=4 26150 B14R1.14 CCCCCOCc1ccc(nc1)Cl 34a_100000210253_100000735431 [0,2,0,0,0,0|2,0,0]=4 26151 B14R1.14 CCCCCOCc1ccc(nc1)Cl 34a_100000755211_100000718602 [0,2,0,0,0,0|2,0,0]=4 26152 B14R1.14 CCCCCOCc1ccc(nc1)Cl 7a_100000210253_100000735431 [0,2,0,0,0,0|2,0,0]=4 26153 B14R1.14 CCCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210326 [0,2,0,0,0,0|2,0,0]=4 26154 B14R1.14 CCCCCOCc1ccc(nc1)F 34a_100000079959_100000718602 [0,2,0,0,0,0|2,0,0]=4 26155 B14R1.14 CCCCCOCc1ccc(nc1)F 34a_100000210253_100000099788 [0,2,0,0,0,0|2,0,0]=4 26156 B14R1.14 CCCCCOCc1ccc(nc1)F 7a_100000210253_100009820150 [0,2,0,0,0,0|2,0,0]=4 26157 B14R1.14 CCCCCOCc1ccc(nc1)N 34a_100000704267_100000718602 [0,2,0,0,0,0|2,0,0]=4 26158 B14R1.14 CCCCCSCc1ccc(cc1)Br 62a_100000189115_100000210326 [0,2,0,0,0,0|1,0,0]=3 26159 B14R1.14 CCCCCSCc1ccc(cc1)Br 62a_100000210326_100000189115 [0,2,0,0,0,0|1,0,0]=3 26160 B14R1.14 CCCCCSCc1ccc(cc1)C 62a_100000210326_100000210814 [0,2,0,0,0,0|1,0,0]=3 26161 B14R1.14 CCCCCSCc1ccc(cc1)C 62a_100000210814_100000210326 [0,2,0,0,0,0|1,0,0]=3 26162 B14R1.14 CCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210326 [0,2,0,0,0,0|1,0,0]=3 26163 B14R1.14 CCCCCSCc1ccc(cc1)Cl 62a_100000210326_100000187161 [0,2,0,0,0,0|1,0,0]=3 26164 B14R1.14 CCCCCSCc1ccc(cc1)F 62a_100000198546_100000210326 [0,2,0,0,0,0|1,0,0]=3 26165 B14R1.14 CCCCCSCc1ccc(cc1)F 62a_100000210326_100000187164 [0,2,0,0,0,0|1,0,0]=3 26166 B14R1.14 CCCCCSCc1ccc(cc1)I 62a_100000189116_100000210326 [0,2,0,0,0,0|1,0,0]=3 26167 B14R1.14 CCCCCSCc1ccc(cc1)I 62a_100000210326_100000189116 [0,2,0,0,0,0|1,0,0]=3 26168 B14R1.14 CCCCCSCc1ccc(cn1)Br 62a_100000210326_100000702658 [0,2,0,0,0,0|2,0,0]=4 26169 B14R1.14 CCCCCSCc1ccc(cn1)Br 62a_100000702658_100000210326 [0,2,0,0,0,0|2,0,0]=4 26170 B14R1.14 CCCCCSCc1ccc(cn1)C 62a_100000210326_100000691093 [0,2,0,0,0,0|2,0,0]=4 26171 B14R1.14 CCCCCSCc1ccc(cn1)C 62a_100000691093_100000210326 [0,2,0,0,0,0|2,0,0]=4 26172 B14R1.14 CCCCCSCc1ccc(cn1)Cl 62a_100000210326_100000697101 [0,2,0,0,0,0|2,0,0]=4 26173 B14R1.14 CCCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210326 [0,2,0,0,0,0|2,0,0]=4 26174 B14R1.14 CCCCCSCc1ccc(cn1)F 62a_100000210326_100000703193 [0,2,0,0,0,0|2,0,0]=4 26175 B14R1.14 CCCCCSCc1ccc(cn1)F 62a_100000703193_100000210326 [0,2,0,0,0,0|2,0,0]=4 26176 B14R1.14 CCCCCSCc1ccc(nc1)Br 62a_100000210326_100009831999 [0,2,0,0,0,0|2,0,0]=4 26177 B14R1.14 CCCCCSCc1ccc(nc1)Br 62a_100009831999_100000210326 [0,2,0,0,0,0|2,0,0]=4 26178 B14R1.14 CCCCCSCc1ccc(nc1)C 62a_100000210326_100016987292 [0,2,0,0,0,0|2,0,0]=4 26179 B14R1.14 CCCCCSCc1ccc(nc1)C 62a_100016987292_100000210326 [0,2,0,0,0,0|2,0,0]=4 26180 B14R1.14 CCCCCSCc1ccc(nc1)Cl 62a_100000210326_100000735431 [0,2,0,0,0,0|2,0,0]=4 26181 B14R1.14 CCCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210326 [0,2,0,0,0,0|2,0,0]=4 26182 B14R1.14 CCCCCSCc1ccc(nc1)F 62a_100000210326_100000099788 [0,2,0,0,0,0|2,0,0]=4 26183 B14R1.14 CCCCCSCc1ccc(nc1)F 62a_100009820150_100000210326 [0,2,0,0,0,0|2,0,0]=4 26184 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000102301_100011740612 [0,2,0,0,0,0|1,0,0]=3 26185 B14R1.14 CCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210211 [0,2,0,0,0,0|1,0,0]=3 26186 B14R1.14 CCCCNCCc1ccc(cc1)Br 34a_100000755846_100000210210 [0,2,0,0,0,0|1,0,0]=3 26187 B14R1.14 CCCCNCCc1ccc(cc1)Br 7a_106832991798_100011740612 [0,2,0,0,0,0|1,0,0]=3 26188 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000102301_100011713686 [0,2,0,0,0,0|1,0,0]=3 26189 B14R1.14 CCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210211 [0,2,0,0,0,0|1,0,0]=3 26190 B14R1.14 CCCCNCCc1ccc(cc1)C 34a_100000705350_100000210210 [0,2,0,0,0,0|1,0,0]=3 26191 B14R1.14 CCCCNCCc1ccc(cc1)C 7a_106832991798_100011713686 [0,2,0,0,0,0|1,0,0]=3 26192 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000102301_100011713675 [0,2,0,0,0,0|1,0,0]=3 26193 B14R1.14 CCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210211 [0,2,0,0,0,0|1,0,0]=3 26194 B14R1.14 CCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000210210 [0,2,0,0,0,0|1,0,0]=3 26195 B14R1.14 CCCCNCCc1ccc(cc1)Cl 7a_106832991798_100011713675 [0,2,0,0,0,0|1,0,0]=3 26196 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000102301_100011217392 [0,2,0,0,0,0|1,0,0]=3 26197 B14R1.14 CCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210211 [0,2,0,0,0,0|1,0,0]=3 26198 B14R1.14 CCCCNCCc1ccc(cc1)F 34a_100000199005_100000210210 [0,2,0,0,0,0|1,0,0]=3 26199 B14R1.14 CCCCNCCc1ccc(cc1)F 7a_106832991798_100011217392 [0,2,0,0,0,0|1,0,0]=3 26200 B14R1.14 CCCCNCCc1ccc(cc1)O 2230a_100000102301_100009816426 [0,2,0,0,0,0|1,0,0]=3 26201 B14R1.14 CCCCNCCc1ccc(cc1)O 34a_100000743037_100000210210 [0,2,0,0,0,0|1,0,0]=3 26202 B14R1.14 CCCCNCCc1ccc(cc1)O 7a_106832991798_100009816426 [0,2,0,0,0,0|1,0,0]=3 26203 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000210227_100011740612 [0,2,0,0,0,0|1,0,0]=3 26204 B14R1.14 CCCCOCCc1ccc(cc1)Br 34a_100000766406_100000210210 [0,2,0,0,0,0|1,0,0]=3 26205 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000210227_100011740612 [0,2,0,0,0,0|1,0,0]=3 26206 B14R1.14 CCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210211 [0,2,0,0,0,0|1,0,0]=3 26207 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000210227_100011713686 [0,2,0,0,0,0|1,0,0]=3 26208 B14R1.14 CCCCOCCc1ccc(cc1)C 34a_100000756670_100000210210 [0,2,0,0,0,0|1,0,0]=3 26209 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000210227_100011713686 [0,2,0,0,0,0|1,0,0]=3 26210 B14R1.14 CCCCOCCc1ccc(cc1)C 7a_100000756670_100000210211 [0,2,0,0,0,0|1,0,0]=3 26211 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100000210227_100011713675 [0,2,0,0,0,0|1,0,0]=3 26212 B14R1.14 CCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210210 [0,2,0,0,0,0|1,0,0]=3 26213 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100000210227_100011713675 [0,2,0,0,0,0|1,0,0]=3 26214 B14R1.14 CCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210211 [0,2,0,0,0,0|1,0,0]=3 26215 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000210227_100011217392 [0,2,0,0,0,0|1,0,0]=3 26216 B14R1.14 CCCCOCCc1ccc(cc1)F 34a_100000754732_100000210210 [0,2,0,0,0,0|1,0,0]=3 26217 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000210227_100011217392 [0,2,0,0,0,0|1,0,0]=3 26218 B14R1.14 CCCCOCCc1ccc(cc1)F 7a_100000754732_100000210211 [0,2,0,0,0,0|1,0,0]=3 26219 B14R1.14 CCCCOCCc1ccc(cc1)I 34a_100012291149_100000210210 [0,2,0,0,0,0|1,0,0]=3 26220 B14R1.14 CCCCOCCc1ccc(cc1)I 7a_100012291149_100000210211 [0,2,0,0,0,0|1,0,0]=3 26221 B14R1.14 CCCCOCCc1ccc(cc1)N 34a_100011204434_100000210210 [0,2,0,0,0,0|1,0,0]=3 26222 B14R1.14 CCCCOCCc1ccc(cc1)O 7a_100000210227_100009816426 [0,2,0,0,0,0|1,0,0]=3 26223 B14R1.14 CCCCOCCc1ccc(cn1)Br 34a_100012357577_100000210210 [0,2,0,0,0,0|2,0,0]=4 26224 B14R1.14 CCCCOCCc1ccc(nc1)C 34a_100011815783_100000210210 [0,2,0,0,0,0|2,0,0]=4 26225 B14R1.14 CCCCOCCc1ccc(nc1)Cl 34a_100009880866_100000210210 [0,2,0,0,0,0|2,0,0]=4 26226 B14R1.14 CCCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210211 [0,2,0,0,0,0|2,0,0]=4 26227 B14R1.14 CCCCOCNc1ccc(cc1)Br 2230a_100000210018_100011995733 [0,2,0,0,0,0|2,0,0]=4 26228 B14R1.14 CCCCOCNc1ccc(cc1)Br 34a_100000210018_100011995733 [0,2,0,0,0,0|2,0,0]=4 26229 B14R1.14 CCCCOCNc1ccc(cc1)C 34a_100000124888_100011995733 [0,2,0,0,0,0|2,0,0]=4 26230 B14R1.14 CCCCOCNc1ccc(cc1)Cl 2230a_100000210052_100011995733 [0,2,0,0,0,0|2,0,0]=4 26231 B14R1.14 CCCCOCNc1ccc(cc1)Cl 34a_100000210052_100011995733 [0,2,0,0,0,0|2,0,0]=4 26232 B14R1.14 CCCCOCNc1ccc(cc1)F 34a_100000185862_100011995733 [0,2,0,0,0,0|2,0,0]=4 26233 B14R1.14 CCCCOCNc1ccc(cc1)I 34a_100000185761_100011995733 [0,2,0,0,0,0|2,0,0]=4 26234 B14R1.14 CCCCOCNc1ccc(cc1)O 34a_100000185829_100011995733 [0,2,0,0,0,0|2,0,0]=4 26235 B14R1.14 CCCCOCOc1ccc(cc1)Br 34a_100000185759_100011995733 [0,2,0,0,0,0|2,0,0]=4 26236 B14R1.14 CCCCOCOc1ccc(cc1)C 34a_100000210336_100011995733 [0,2,0,0,0,0|2,0,0]=4 26237 B14R1.14 CCCCOCOc1ccc(cc1)Cl 34a_100000210216_100011995733 [0,2,0,0,0,0|2,0,0]=4 26238 B14R1.14 CCCCOCOc1ccc(cc1)F 34a_100000210339_100011995733 [0,2,0,0,0,0|2,0,0]=4 26239 B14R1.14 CCCCOCOc1ccc(cc1)I 34a_100000212066_100011995733 [0,2,0,0,0,0|2,0,0]=4 26240 B14R1.14 CCCCOCOc1ccc(cc1)N 34a_100000185829_100011995733 [0,2,0,0,0,0|2,0,0]=4 26241 B14R1.14 CCCCOCSc1ccc(cc1)Br 62a_100000752885_100011995733 [0,2,0,0,0,0|2,0,0]=4 26242 B14R1.14 CCCCOCSc1ccc(cc1)Br 62a_100011995733_100000752885 [0,2,0,0,0,0|2,0,0]=4 26243 B14R1.14 CCCCOCSc1ccc(cc1)C 62a_100000186775_100011995733 [0,2,0,0,0,0|2,0,0]=4 26244 B14R1.14 CCCCOCSc1ccc(cc1)C 62a_100011995733_100000186775 [0,2,0,0,0,0|2,0,0]=4 26245 B14R1.14 CCCCOCSc1ccc(cc1)Cl 62a_100000755918_100011995733 [0,2,0,0,0,0|2,0,0]=4 26246 B14R1.14 CCCCOCSc1ccc(cc1)Cl 62a_100011995733_100000755918 [0,2,0,0,0,0|2,0,0]=4 26247 B14R1.14 CCCCOCSc1ccc(cc1)F 62a_100000211213_100011995733 [0,2,0,0,0,0|2,0,0]=4 26248 B14R1.14 CCCCOCSc1ccc(cc1)F 62a_100011995733_100000211213 [0,2,0,0,0,0|2,0,0]=4 26249 B14R1.14 CCCCOCSc1ccc(cc1)N 62a_100000185761_100011995733 [0,2,0,0,0,0|2,0,0]=4 26250 B14R1.14 CCCCOCSc1ccc(cc1)N 62a_100011995733_100000185761 [0,2,0,0,0,0|2,0,0]=4 26251 B14R1.14 CCCCOCSc1ccc(cc1)O 62a_100011995733_100000185759 [0,2,0,0,0,0|2,0,0]=4 26252 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100000210211_100011740612 [0,2,0,0,0,0|1,0,0]=3 26253 B14R1.14 CCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210210 [0,2,0,0,0,0|1,0,0]=3 26254 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100000210211_100011713686 [0,2,0,0,0,0|1,0,0]=3 26255 B14R1.14 CCCCSCCc1ccc(cc1)C 62a_100011713686_100000210210 [0,2,0,0,0,0|1,0,0]=3 26256 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100000210211_100011713675 [0,2,0,0,0,0|1,0,0]=3 26257 B14R1.14 CCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210210 [0,2,0,0,0,0|1,0,0]=3 26258 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100000210211_100011217392 [0,2,0,0,0,0|1,0,0]=3 26259 B14R1.14 CCCCSCCc1ccc(cc1)F 62a_100011217392_100000210210 [0,2,0,0,0,0|1,0,0]=3 26260 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100000210211_100009816426 [0,2,0,0,0,0|1,0,0]=3 26261 B14R1.14 CCCCSCCc1ccc(cc1)O 62a_100009816426_100000210210 [0,2,0,0,0,0|1,0,0]=3 26262 B14R1.14 CCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210303 [0,2,0,0,0,0|1,0,0]=3 26263 B14R1.14 CCCNCCCc1ccc(cc1)Br 34a_100011297623_100000210303 [0,2,0,0,0,0|1,0,0]=3 26264 B14R1.14 CCCNCCCc1ccc(cc1)C 2230a_100011236272_100000210303 [0,2,0,0,0,0|1,0,0]=3 26265 B14R1.14 CCCNCCCc1ccc(cc1)C 34a_100011236272_100000210303 [0,2,0,0,0,0|1,0,0]=3 26266 B14R1.14 CCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210303 [0,2,0,0,0,0|1,0,0]=3 26267 B14R1.14 CCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210303 [0,2,0,0,0,0|1,0,0]=3 26268 B14R1.14 CCCNCCCc1ccc(cc1)F 2230a_100025745824_100000210303 [0,2,0,0,0,0|1,0,0]=3 26269 B14R1.14 CCCNCCCc1ccc(cc1)F 34a_100025745824_100000210303 [0,2,0,0,0,0|1,0,0]=3 26270 B14R1.14 CCCNCCOc1ccc(cc1)Br 2230a_100000746992_100000210303 [0,2,0,0,0,0|2,0,0]=4 26271 B14R1.14 CCCNCCOc1ccc(cc1)Br 34a_100000746992_100000210303 [0,2,0,0,0,0|2,0,0]=4 26272 B14R1.14 CCCNCCOc1ccc(cc1)C 2230a_100020666663_100000210303 [0,2,0,0,0,0|2,0,0]=4 26273 B14R1.14 CCCNCCOc1ccc(cc1)C 34a_100020666663_100000210303 [0,2,0,0,0,0|2,0,0]=4 26274 B14R1.14 CCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000210303 [0,2,0,0,0,0|2,0,0]=4 26275 B14R1.14 CCCNCCOc1ccc(cc1)Cl 34a_100000697975_100000210303 [0,2,0,0,0,0|2,0,0]=4 26276 B14R1.14 CCCNCCOc1ccc(cc1)F 2230a_100000737420_100000210303 [0,2,0,0,0,0|2,0,0]=4 26277 B14R1.14 CCCNCCOc1ccc(cc1)F 34a_100000737420_100000210303 [0,2,0,0,0,0|2,0,0]=4 26278 B14R1.14 CCCNCCSc1ccc(cc1)Br 2230a_100000184645_100000210303 [0,2,0,0,0,0|2,0,0]=4 26279 B14R1.14 CCCNCCSc1ccc(cc1)C 2230a_100000739754_100000210303 [0,2,0,0,0,0|2,0,0]=4 26280 B14R1.14 CCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000210303 [0,2,0,0,0,0|2,0,0]=4 26281 B14R1.14 CCCOCCCc1ccc(cc1)Br 34a_100000210258_100011713682 [0,2,0,0,0,0|1,0,0]=3 26282 B14R1.14 CCCOCCCc1ccc(cc1)Br 34a_100011709247_100000210303 [0,2,0,0,0,0|1,0,0]=3 26283 B14R1.14 CCCOCCCc1ccc(cc1)Br 7a_100011709247_100000210303 [0,2,0,0,0,0|1,0,0]=3 26284 B14R1.14 CCCOCCCc1ccc(cc1)C 34a_100000189427_100000210303 [0,2,0,0,0,0|1,0,0]=3 26285 B14R1.14 CCCOCCCc1ccc(cc1)C 7a_100000189427_100000210303 [0,2,0,0,0,0|1,0,0]=3 26286 B14R1.14 CCCOCCCc1ccc(cc1)Cl 34a_100000210258_100000759440 [0,2,0,0,0,0|1,0,0]=3 26287 B14R1.14 CCCOCCCc1ccc(cc1)Cl 34a_100011217485_100000210303 [0,2,0,0,0,0|1,0,0]=3 26288 B14R1.14 CCCOCCCc1ccc(cc1)Cl 7a_100011217485_100000210303 [0,2,0,0,0,0|1,0,0]=3 26289 B14R1.14 CCCOCCCc1ccc(cc1)F 34a_100000210258_200011713563 [0,2,0,0,0,0|1,0,0]=3 26290 B14R1.14 CCCOCCCc1ccc(cc1)F 34a_100000757351_100000210303 [0,2,0,0,0,0|1,0,0]=3 26291 B14R1.14 CCCOCCCc1ccc(cc1)F 7a_100000757351_100000210303 [0,2,0,0,0,0|1,0,0]=3 26292 B14R1.14 CCCOCCNc1ccc(cc1)Br 2230a_100000210018_100011215938 [0,2,0,0,0,0|2,0,0]=4 26293 B14R1.14 CCCOCCNc1ccc(cc1)Br 34a_100000210018_100011215938 [0,2,0,0,0,0|2,0,0]=4 26294 B14R1.14 CCCOCCNc1ccc(cc1)C 34a_100000124888_100011215938 [0,2,0,0,0,0|2,0,0]=4 26295 B14R1.14 CCCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215938 [0,2,0,0,0,0|2,0,0]=4 26296 B14R1.14 CCCOCCNc1ccc(cc1)Cl 34a_100000210052_100011215938 [0,2,0,0,0,0|2,0,0]=4 26297 B14R1.14 CCCOCCNc1ccc(cc1)F 34a_100000185862_100011215938 [0,2,0,0,0,0|2,0,0]=4 26298 B14R1.14 CCCOCCNc1ccc(cc1)I 34a_100000185761_100011215938 [0,2,0,0,0,0|2,0,0]=4 26299 B14R1.14 CCCOCCNc1ccc(cc1)O 34a_100000185829_100011215938 [0,2,0,0,0,0|2,0,0]=4 26300 B14R1.14 CCCOCCOc1ccc(cc1)Br 34a_100000185759_100011215938 [0,2,0,0,0,0|2,0,0]=4 26301 B14R1.14 CCCOCCOc1ccc(cc1)Br 34a_100000210258_100000183278 [0,2,0,0,0,0|2,0,0]=4 26302 B14R1.14 CCCOCCOc1ccc(cc1)Br 34a_100000686261_100000210303 [0,2,0,0,0,0|2,0,0]=4 26303 B14R1.14 CCCOCCOc1ccc(cc1)Br 7a_100000185759_100011215938 [0,2,0,0,0,0|2,0,0]=4 26304 B14R1.14 CCCOCCOc1ccc(cc1)Br 7a_100000686261_100000210303 [0,2,0,0,0,0|2,0,0]=4 26305 B14R1.14 CCCOCCOc1ccc(cc1)C 34a_100000210258_100000183172 [0,2,0,0,0,0|2,0,0]=4 26306 B14R1.14 CCCOCCOc1ccc(cc1)C 34a_100000210336_100011215938 [0,2,0,0,0,0|2,0,0]=4 26307 B14R1.14 CCCOCCOc1ccc(cc1)C 34a_100011219107_100000210303 [0,2,0,0,0,0|2,0,0]=4 26308 B14R1.14 CCCOCCOc1ccc(cc1)C 7a_100000210336_100011215938 [0,2,0,0,0,0|2,0,0]=4 26309 B14R1.14 CCCOCCOc1ccc(cc1)C 7a_100011219107_100000210303 [0,2,0,0,0,0|2,0,0]=4 26310 B14R1.14 CCCOCCOc1ccc(cc1)Cl 34a_100000210216_100011215938 [0,2,0,0,0,0|2,0,0]=4 26311 B14R1.14 CCCOCCOc1ccc(cc1)Cl 34a_100000210258_100000184122 [0,2,0,0,0,0|2,0,0]=4 26312 B14R1.14 CCCOCCOc1ccc(cc1)Cl 34a_100000237962_100000210303 [0,2,0,0,0,0|2,0,0]=4 26313 B14R1.14 CCCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215938 [0,2,0,0,0,0|2,0,0]=4 26314 B14R1.14 CCCOCCOc1ccc(cc1)Cl 7a_100000237962_100000210303 [0,2,0,0,0,0|2,0,0]=4 26315 B14R1.14 CCCOCCOc1ccc(cc1)F 34a_100000210258_100000184936 [0,2,0,0,0,0|2,0,0]=4 26316 B14R1.14 CCCOCCOc1ccc(cc1)F 34a_100000210339_100011215938 [0,2,0,0,0,0|2,0,0]=4 26317 B14R1.14 CCCOCCOc1ccc(cc1)I 34a_100000212066_100011215938 [0,2,0,0,0,0|2,0,0]=4 26318 B14R1.14 CCCOCCOc1ccc(cc1)I 7a_100000212066_100011215938 [0,2,0,0,0,0|2,0,0]=4 26319 B14R1.14 CCCOCCOc1ccc(cc1)N 34a_100000185829_100011215938 [0,2,0,0,0,0|2,0,0]=4 26320 B14R1.14 CCCOCCOc1ccc(cc1)N 34a_100000754363_100000210303 [0,2,0,0,0,0|2,0,0]=4 26321 B14R1.14 CCCOCCSc1ccc(cc1)Br 62a_100000752885_100011215938 [0,2,0,0,0,0|2,0,0]=4 26322 B14R1.14 CCCOCCSc1ccc(cc1)Br 62a_100011215938_100000752885 [0,2,0,0,0,0|2,0,0]=4 26323 B14R1.14 CCCOCCSc1ccc(cc1)C 34a_200000230582_100000210303 [0,2,0,0,0,0|2,0,0]=4 26324 B14R1.14 CCCOCCSc1ccc(cc1)C 62a_100000186775_100011215938 [0,2,0,0,0,0|2,0,0]=4 26325 B14R1.14 CCCOCCSc1ccc(cc1)C 62a_100011215938_100000186775 [0,2,0,0,0,0|2,0,0]=4 26326 B14R1.14 CCCOCCSc1ccc(cc1)C 7a_200000230582_100000210303 [0,2,0,0,0,0|2,0,0]=4 26327 B14R1.14 CCCOCCSc1ccc(cc1)Cl 34a_100000230527_100000210303 [0,2,0,0,0,0|2,0,0]=4 26328 B14R1.14 CCCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215938 [0,2,0,0,0,0|2,0,0]=4 26329 B14R1.14 CCCOCCSc1ccc(cc1)Cl 62a_100011215938_100000755918 [0,2,0,0,0,0|2,0,0]=4 26330 B14R1.14 CCCOCCSc1ccc(cc1)Cl 7a_100000230527_100000210303 [0,2,0,0,0,0|2,0,0]=4 26331 B14R1.14 CCCOCCSc1ccc(cc1)F 34a_200000230679_100000210303 [0,2,0,0,0,0|2,0,0]=4 26332 B14R1.14 CCCOCCSc1ccc(cc1)F 62a_100000211213_100011215938 [0,2,0,0,0,0|2,0,0]=4 26333 B14R1.14 CCCOCCSc1ccc(cc1)F 62a_100011215938_100000211213 [0,2,0,0,0,0|2,0,0]=4 26334 B14R1.14 CCCOCCSc1ccc(cc1)F 7a_200000230679_100000210303 [0,2,0,0,0,0|2,0,0]=4 26335 B14R1.14 CCCOCCSc1ccc(cc1)N 62a_100000185761_100011215938 [0,2,0,0,0,0|2,0,0]=4 26336 B14R1.14 CCCOCCSc1ccc(cc1)N 62a_100011215938_100000185761 [0,2,0,0,0,0|2,0,0]=4 26337 B14R1.14 CCCOCCSc1ccc(cc1)O 62a_100011215938_100000185759 [0,2,0,0,0,0|2,0,0]=4 26338 B14R1.14 CCCSCCCc1ccc(cc1)Br 62a_100000210303_100011713682 [0,2,0,0,0,0|1,0,0]=3 26339 B14R1.14 CCCSCCCc1ccc(cc1)Br 62a_100011713682_100000210303 [0,2,0,0,0,0|1,0,0]=3 26340 B14R1.14 CCCSCCCc1ccc(cc1)Cl 62a_100000210303_100000759440 [0,2,0,0,0,0|1,0,0]=3 26341 B14R1.14 CCCSCCCc1ccc(cc1)Cl 62a_100000759440_100000210303 [0,2,0,0,0,0|1,0,0]=3 26342 B14R1.14 CCCSCCCc1ccc(cc1)F 62a_100000210303_200011713563 [0,2,0,0,0,0|1,0,0]=3 26343 B14R1.14 CCCSCCCc1ccc(cc1)F 62a_200011713563_100000210303 [0,2,0,0,0,0|1,0,0]=3 26344 B14R1.14 CCCSCCOc1ccc(cc1)Br 62a_100000183278_100000210303 [0,2,0,0,0,0|2,0,0]=4 26345 B14R1.14 CCCSCCOc1ccc(cc1)Br 62a_100000210303_100000183278 [0,2,0,0,0,0|2,0,0]=4 26346 B14R1.14 CCCSCCOc1ccc(cc1)C 62a_100000183172_100000210303 [0,2,0,0,0,0|2,0,0]=4 26347 B14R1.14 CCCSCCOc1ccc(cc1)C 62a_100000210303_100000183172 [0,2,0,0,0,0|2,0,0]=4 26348 B14R1.14 CCCSCCOc1ccc(cc1)Cl 62a_100000184122_100000210303 [0,2,0,0,0,0|2,0,0]=4 26349 B14R1.14 CCCSCCOc1ccc(cc1)Cl 62a_100000210303_100000184122 [0,2,0,0,0,0|2,0,0]=4 26350 B14R1.14 CCCSCCOc1ccc(cc1)F 62a_100000184936_100000210303 [0,2,0,0,0,0|2,0,0]=4 26351 B14R1.14 CCCSCCOc1ccc(cc1)F 62a_100000210303_100000184936 [0,2,0,0,0,0|2,0,0]=4 26352 B14R1.14 CCNCCCCc1ccc(cc1)Br 2230a_100015525214_200012094861 [0,2,0,0,0,0|1,0,0]=3 26353 B14R1.14 CCNCCCCc1ccc(cc1)Cl 2230a_100160821348_100000210202 [0,2,0,0,0,0|1,0,0]=3 26354 B14R1.14 CCNCCCCc1ccc(cc1)Cl 34a_100160821348_100000210202 [0,2,0,0,0,0|1,0,0]=3 26355 B14R1.14 CCNCCCCc1ccc(cc1)F 2230a_100015525214_100012093538 [0,2,0,0,0,0|1,0,0]=3 26356 B14R1.14 CCNCCCOc1ccc(cc1)Br 2230a_100015525214_100011259224 [0,2,0,0,0,0|2,0,0]=4 26357 B14R1.14 CCNCCCOc1ccc(cc1)C 34a_100000747266_100000210202 [0,2,0,0,0,0|2,0,0]=4 26358 B14R1.14 CCNCCCOc1ccc(cc1)Cl 2230a_200011199081_100000210202 [0,2,0,0,0,0|2,0,0]=4 26359 B14R1.14 CCNCCCOc1ccc(cc1)Cl 34a_200011199081_100000210202 [0,2,0,0,0,0|2,0,0]=4 26360 B14R1.14 CCNCCCOc1ccc(cc1)F 2230a_100000747263_100000210202 [0,2,0,0,0,0|2,0,0]=4 26361 B14R1.14 CCNCCCOc1ccc(cc1)F 2230a_100015525214_100000181347 [0,2,0,0,0,0|2,0,0]=4 26362 B14R1.14 CCNCCCOc1ccc(cc1)F 34a_100000747263_100000210202 [0,2,0,0,0,0|2,0,0]=4 26363 B14R1.14 CCNCCCSc1ccc(cc1)Cl 2230a_100000189518_100000210202 [0,2,0,0,0,0|2,0,0]=4 26364 B14R1.14 CCNCCCSc1ccc(cc1)F 2230a_100000683907_100000210202 [0,2,0,0,0,0|2,0,0]=4 26365 B14R1.14 CCNCCOCc1ccc(cc1)Cl 2230a_100000189180_100000210202 [0,2,0,0,0,0|2,0,0]=4 26366 B14R1.14 CCNCCOCc1ccc(cc1)Cl 34a_100000189180_100000210202 [0,2,0,0,0,0|2,0,0]=4 26367 B14R1.14 CCNCCSCc1ccc(cc1)Cl 2230a_100000739548_100000210202 [0,2,0,0,0,0|2,0,0]=4 26368 B14R1.14 CCNCCSCc1ccc(cc1)Cl 34a_100000739548_100000210202 [0,2,0,0,0,0|2,0,0]=4 26369 B14R1.14 CCNCCSCc1ccc(cc1)Cl 7a_100000739548_100000210202 [0,2,0,0,0,0|2,0,0]=4 26370 B14R1.14 CCNCCSCc1ccc(cc1)F 2230a_100020610864_100000210202 [0,2,0,0,0,0|2,0,0]=4 26371 B14R1.14 CCNCCSCc1ccc(cc1)F 34a_100020610864_100000210202 [0,2,0,0,0,0|2,0,0]=4 26372 B14R1.14 CCNCCSCc1ccc(cc1)F 7a_100020610864_100000210202 [0,2,0,0,0,0|2,0,0]=4 26373 B14R1.14 CCOCCCCc1ccc(cc1)Br 34a_100121572206_200012094861 [0,2,0,0,0,0|1,0,0]=3 26374 B14R1.14 CCOCCCCc1ccc(cc1)F 34a_100121572206_100012093538 [0,2,0,0,0,0|1,0,0]=3 26375 B14R1.14 CCOCCCNc1ccc(cc1)Br 2230a_100000210018_100012232248 [0,2,0,0,0,0|2,0,0]=4 26376 B14R1.14 CCOCCCNc1ccc(cc1)Br 34a_100000210018_100012232248 [0,2,0,0,0,0|2,0,0]=4 26377 B14R1.14 CCOCCCNc1ccc(cc1)C 34a_100000124888_100012232248 [0,2,0,0,0,0|2,0,0]=4 26378 B14R1.14 CCOCCCNc1ccc(cc1)Cl 2230a_100000210052_100012232248 [0,2,0,0,0,0|2,0,0]=4 26379 B14R1.14 CCOCCCNc1ccc(cc1)Cl 34a_100000210052_100012232248 [0,2,0,0,0,0|2,0,0]=4 26380 B14R1.14 CCOCCCNc1ccc(cc1)F 34a_100000185862_100012232248 [0,2,0,0,0,0|2,0,0]=4 26381 B14R1.14 CCOCCCNc1ccc(cc1)I 34a_100000185761_100012232248 [0,2,0,0,0,0|2,0,0]=4 26382 B14R1.14 CCOCCCNc1ccc(cc1)O 34a_100000185829_100012232248 [0,2,0,0,0,0|2,0,0]=4 26383 B14R1.14 CCOCCCOc1ccc(cc1)Br 34a_100000185759_100012232248 [0,2,0,0,0,0|2,0,0]=4 26384 B14R1.14 CCOCCCOc1ccc(cc1)Br 34a_100000756186_100000210202 [0,2,0,0,0,0|2,0,0]=4 26385 B14R1.14 CCOCCCOc1ccc(cc1)Br 34a_100121572206_100011259224 [0,2,0,0,0,0|2,0,0]=4 26386 B14R1.14 CCOCCCOc1ccc(cc1)Br 7a_100000185759_100012232248 [0,2,0,0,0,0|2,0,0]=4 26387 B14R1.14 CCOCCCOc1ccc(cc1)Br 7a_100000756186_100000210202 [0,2,0,0,0,0|2,0,0]=4 26388 B14R1.14 CCOCCCOc1ccc(cc1)C 34a_100000210336_100012232248 [0,2,0,0,0,0|2,0,0]=4 26389 B14R1.14 CCOCCCOc1ccc(cc1)C 7a_100000210336_100012232248 [0,2,0,0,0,0|2,0,0]=4 26390 B14R1.14 CCOCCCOc1ccc(cc1)Cl 34a_100000210216_100012232248 [0,2,0,0,0,0|2,0,0]=4 26391 B14R1.14 CCOCCCOc1ccc(cc1)Cl 7a_100000210216_100012232248 [0,2,0,0,0,0|2,0,0]=4 26392 B14R1.14 CCOCCCOc1ccc(cc1)F 34a_100000210339_100012232248 [0,2,0,0,0,0|2,0,0]=4 26393 B14R1.14 CCOCCCOc1ccc(cc1)F 34a_100121572206_100000181347 [0,2,0,0,0,0|2,0,0]=4 26394 B14R1.14 CCOCCCOc1ccc(cc1)I 34a_100000212066_100012232248 [0,2,0,0,0,0|2,0,0]=4 26395 B14R1.14 CCOCCCOc1ccc(cc1)I 7a_100000212066_100012232248 [0,2,0,0,0,0|2,0,0]=4 26396 B14R1.14 CCOCCCOc1ccc(cc1)N 34a_100000185829_100012232248 [0,2,0,0,0,0|2,0,0]=4 26397 B14R1.14 CCOCCCOc1ccc(cc1)N 34a_100000730458_100000210202 [0,2,0,0,0,0|2,0,0]=4 26398 B14R1.14 CCOCCCSc1ccc(cc1)Br 62a_100000752885_100012232248 [0,2,0,0,0,0|2,0,0]=4 26399 B14R1.14 CCOCCCSc1ccc(cc1)Br 62a_100012232248_100000752885 [0,2,0,0,0,0|2,0,0]=4 26400 B14R1.14 CCOCCCSc1ccc(cc1)C 62a_100000186775_100012232248 [0,2,0,0,0,0|2,0,0]=4 26401 B14R1.14 CCOCCCSc1ccc(cc1)C 62a_100012232248_100000186775 [0,2,0,0,0,0|2,0,0]=4 26402 B14R1.14 CCOCCCSc1ccc(cc1)Cl 62a_100000755918_100012232248 [0,2,0,0,0,0|2,0,0]=4 26403 B14R1.14 CCOCCCSc1ccc(cc1)Cl 62a_100012232248_100000755918 [0,2,0,0,0,0|2,0,0]=4 26404 B14R1.14 CCOCCCSc1ccc(cc1)F 62a_100000211213_100012232248 [0,2,0,0,0,0|2,0,0]=4 26405 B14R1.14 CCOCCCSc1ccc(cc1)F 62a_100012232248_100000211213 [0,2,0,0,0,0|2,0,0]=4 26406 B14R1.14 CCOCCCSc1ccc(cc1)N 62a_100000185761_100012232248 [0,2,0,0,0,0|2,0,0]=4 26407 B14R1.14 CCOCCCSc1ccc(cc1)N 62a_100012232248_100000185761 [0,2,0,0,0,0|2,0,0]=4 26408 B14R1.14 CCOCCCSc1ccc(cc1)O 62a_100012232248_100000185759 [0,2,0,0,0,0|2,0,0]=4 26409 B14R1.14 CCOCCNCc1ccc(cc1)Br 207a_100011200944_100000186029 [0,2,0,0,0,0|2,0,0]=4 26410 B14R1.14 CCOCCNCc1ccc(cc1)Br 2230a_100000174875_100011215890 [0,2,0,0,0,0|2,0,0]=4 26411 B14R1.14 CCOCCNCc1ccc(cc1)Br 2230a_102516460346_100011217064 [0,2,0,0,0,0|2,0,0]=4 26412 B14R1.14 CCOCCNCc1ccc(cc1)Br 270004a_102516460346_100000186029 [0,2,0,0,0,0|2,0,0]=4 26413 B14R1.14 CCOCCNCc1ccc(cc1)Br 34a_100000174875_100000210147 [0,2,0,0,0,0|2,0,0]=4 26414 B14R1.14 CCOCCNCc1ccc(cc1)Br 34a_100000186819_100000210202 [0,2,0,0,0,0|2,0,0]=4 26415 B14R1.14 CCOCCNCc1ccc(cc1)Br 34a_102516460346_100000189115 [0,2,0,0,0,0|2,0,0]=4 26416 B14R1.14 CCOCCNCc1ccc(cc1)C 207a_100011200944_100000211033 [0,2,0,0,0,0|2,0,0]=4 26417 B14R1.14 CCOCCNCc1ccc(cc1)C 2230a_100000174908_100011215890 [0,2,0,0,0,0|2,0,0]=4 26418 B14R1.14 CCOCCNCc1ccc(cc1)C 2230a_102516460346_100000210814 [0,2,0,0,0,0|2,0,0]=4 26419 B14R1.14 CCOCCNCc1ccc(cc1)C 270004a_102516460346_100000211033 [0,2,0,0,0,0|2,0,0]=4 26420 B14R1.14 CCOCCNCc1ccc(cc1)C 34a_100000174908_100000210147 [0,2,0,0,0,0|2,0,0]=4 26421 B14R1.14 CCOCCNCc1ccc(cc1)C 34a_100000186992_100000210202 [0,2,0,0,0,0|2,0,0]=4 26422 B14R1.14 CCOCCNCc1ccc(cc1)C 34a_102516460346_100000210814 [0,2,0,0,0,0|2,0,0]=4 26423 B14R1.14 CCOCCNCc1ccc(cc1)Cl 207a_100011200944_100000189385 [0,2,0,0,0,0|2,0,0]=4 26424 B14R1.14 CCOCCNCc1ccc(cc1)Cl 2230a_100000174871_100011215890 [0,2,0,0,0,0|2,0,0]=4 26425 B14R1.14 CCOCCNCc1ccc(cc1)Cl 2230a_102516460346_100000694040 [0,2,0,0,0,0|2,0,0]=4 26426 B14R1.14 CCOCCNCc1ccc(cc1)Cl 270004a_102516460346_100000189385 [0,2,0,0,0,0|2,0,0]=4 26427 B14R1.14 CCOCCNCc1ccc(cc1)Cl 34a_100000174871_100000210147 [0,2,0,0,0,0|2,0,0]=4 26428 B14R1.14 CCOCCNCc1ccc(cc1)Cl 34a_102516460346_100000694040 [0,2,0,0,0,0|2,0,0]=4 26429 B14R1.14 CCOCCNCc1ccc(cc1)F 207a_100011200944_100000210084 [0,2,0,0,0,0|2,0,0]=4 26430 B14R1.14 CCOCCNCc1ccc(cc1)F 2230a_100000174882_100011215890 [0,2,0,0,0,0|2,0,0]=4 26431 B14R1.14 CCOCCNCc1ccc(cc1)F 2230a_102516460346_100000198546 [0,2,0,0,0,0|2,0,0]=4 26432 B14R1.14 CCOCCNCc1ccc(cc1)F 270004a_102516460346_100000210084 [0,2,0,0,0,0|2,0,0]=4 26433 B14R1.14 CCOCCNCc1ccc(cc1)F 34a_100000174882_100000210147 [0,2,0,0,0,0|2,0,0]=4 26434 B14R1.14 CCOCCNCc1ccc(cc1)F 34a_100015183715_100000210202 [0,2,0,0,0,0|2,0,0]=4 26435 B14R1.14 CCOCCNCc1ccc(cc1)F 34a_102516460346_100000198546 [0,2,0,0,0,0|2,0,0]=4 26436 B14R1.14 CCOCCNCc1ccc(cc1)I 207a_100011200944_100000188517 [0,2,0,0,0,0|2,0,0]=4 26437 B14R1.14 CCOCCNCc1ccc(cc1)I 2230a_100016989417_100011215890 [0,2,0,0,0,0|2,0,0]=4 26438 B14R1.14 CCOCCNCc1ccc(cc1)I 2230a_102516460346_100000189116 [0,2,0,0,0,0|2,0,0]=4 26439 B14R1.14 CCOCCNCc1ccc(cc1)I 34a_100016989417_100000210147 [0,2,0,0,0,0|2,0,0]=4 26440 B14R1.14 CCOCCNCc1ccc(cc1)I 34a_102516460346_100000189116 [0,2,0,0,0,0|2,0,0]=4 26441 B14R1.14 CCOCCNCc1ccc(cc1)O 34a_100000185549_100000210147 [0,2,0,0,0,0|2,0,0]=4 26442 B14R1.14 CCOCCOCc1ccc(cc1)Br 34a_100000210136_100000189115 [0,2,0,0,0,0|2,0,0]=4 26443 B14R1.14 CCOCCOCc1ccc(cc1)Br 34a_100000695286_100000210147 [0,2,0,0,0,0|2,0,0]=4 26444 B14R1.14 CCOCCOCc1ccc(cc1)Br 7a_100000210136_100011217064 [0,2,0,0,0,0|2,0,0]=4 26445 B14R1.14 CCOCCOCc1ccc(cc1)C 34a_100000210136_100000210814 [0,2,0,0,0,0|2,0,0]=4 26446 B14R1.14 CCOCCOCc1ccc(cc1)C 34a_100011215236_100000210147 [0,2,0,0,0,0|2,0,0]=4 26447 B14R1.14 CCOCCOCc1ccc(cc1)C 7a_100000210136_100000210814 [0,2,0,0,0,0|2,0,0]=4 26448 B14R1.14 CCOCCOCc1ccc(cc1)C 7a_100011215236_100011215890 [0,2,0,0,0,0|2,0,0]=4 26449 B14R1.14 CCOCCOCc1ccc(cc1)Cl 34a_100000210136_100000694040 [0,2,0,0,0,0|2,0,0]=4 26450 B14R1.14 CCOCCOCc1ccc(cc1)Cl 34a_100000211118_100000210147 [0,2,0,0,0,0|2,0,0]=4 26451 B14R1.14 CCOCCOCc1ccc(cc1)Cl 7a_100000210136_100000187161 [0,2,0,0,0,0|2,0,0]=4 26452 B14R1.14 CCOCCOCc1ccc(cc1)Cl 7a_100000211118_100011215890 [0,2,0,0,0,0|2,0,0]=4 26453 B14R1.14 CCOCCOCc1ccc(cc1)F 34a_100000210136_100000198546 [0,2,0,0,0,0|2,0,0]=4 26454 B14R1.14 CCOCCOCc1ccc(cc1)F 34a_100000210977_100000210147 [0,2,0,0,0,0|2,0,0]=4 26455 B14R1.14 CCOCCOCc1ccc(cc1)F 7a_100000210136_100000198546 [0,2,0,0,0,0|2,0,0]=4 26456 B14R1.14 CCOCCOCc1ccc(cc1)F 7a_100000210977_100011215890 [0,2,0,0,0,0|2,0,0]=4 26457 B14R1.14 CCOCCOCc1ccc(cc1)I 34a_100000210136_100000189116 [0,2,0,0,0,0|2,0,0]=4 26458 B14R1.14 CCOCCOCc1ccc(cc1)I 34a_100000690907_100000210147 [0,2,0,0,0,0|2,0,0]=4 26459 B14R1.14 CCOCCOCc1ccc(cc1)I 7a_100000210136_100000189116 [0,2,0,0,0,0|2,0,0]=4 26460 B14R1.14 CCOCCOCc1ccc(cc1)I 7a_100000690907_100011215890 [0,2,0,0,0,0|2,0,0]=4 26461 B14R1.14 CCOCCOCc1ccc(cc1)N 34a_100011215238_100000210147 [0,2,0,0,0,0|2,0,0]=4 26462 B14R1.14 CCOCCSCc1ccc(cc1)Br 62a_100000189115_100011215890 [0,2,0,0,0,0|2,0,0]=4 26463 B14R1.14 CCOCCSCc1ccc(cc1)Br 62a_100000210147_100000189115 [0,2,0,0,0,0|2,0,0]=4 26464 B14R1.14 CCOCCSCc1ccc(cc1)C 34a_100011212911_100000210202 [0,2,0,0,0,0|2,0,0]=4 26465 B14R1.14 CCOCCSCc1ccc(cc1)C 62a_100000210147_100000210814 [0,2,0,0,0,0|2,0,0]=4 26466 B14R1.14 CCOCCSCc1ccc(cc1)C 62a_100000210814_100011215890 [0,2,0,0,0,0|2,0,0]=4 26467 B14R1.14 CCOCCSCc1ccc(cc1)C 7a_100011212911_100000210202 [0,2,0,0,0,0|2,0,0]=4 26468 B14R1.14 CCOCCSCc1ccc(cc1)Cl 34a_200000186141_100000210202 [0,2,0,0,0,0|2,0,0]=4 26469 B14R1.14 CCOCCSCc1ccc(cc1)Cl 62a_100000187161_100011215890 [0,2,0,0,0,0|2,0,0]=4 26470 B14R1.14 CCOCCSCc1ccc(cc1)Cl 62a_100000210147_100000187161 [0,2,0,0,0,0|2,0,0]=4 26471 B14R1.14 CCOCCSCc1ccc(cc1)Cl 7a_200000186141_100000210202 [0,2,0,0,0,0|2,0,0]=4 26472 B14R1.14 CCOCCSCc1ccc(cc1)F 62a_100000198546_100011215890 [0,2,0,0,0,0|2,0,0]=4 26473 B14R1.14 CCOCCSCc1ccc(cc1)F 62a_100000210147_100000187164 [0,2,0,0,0,0|2,0,0]=4 26474 B14R1.14 CCOCCSCc1ccc(cc1)I 62a_100000189116_100011215890 [0,2,0,0,0,0|2,0,0]=4 26475 B14R1.14 CCOCCSCc1ccc(cc1)I 62a_100000210147_100000189116 [0,2,0,0,0,0|2,0,0]=4 26476 B14R1.14 CCOCSCCc1ccc(cc1)Br 62a_100000739092_100011740612 [0,2,0,0,0,0|2,0,0]=4 26477 B14R1.14 CCOCSCCc1ccc(cc1)Br 62a_100011740612_100000739092 [0,2,0,0,0,0|2,0,0]=4 26478 B14R1.14 CCOCSCCc1ccc(cc1)C 62a_100000739092_100011713686 [0,2,0,0,0,0|2,0,0]=4 26479 B14R1.14 CCOCSCCc1ccc(cc1)C 62a_100011713686_100000739092 [0,2,0,0,0,0|2,0,0]=4 26480 B14R1.14 CCOCSCCc1ccc(cc1)Cl 62a_100000739092_100011713675 [0,2,0,0,0,0|2,0,0]=4 26481 B14R1.14 CCOCSCCc1ccc(cc1)Cl 62a_100011713675_100000739092 [0,2,0,0,0,0|2,0,0]=4 26482 B14R1.14 CCOCSCCc1ccc(cc1)F 62a_100000739092_100011217392 [0,2,0,0,0,0|2,0,0]=4 26483 B14R1.14 CCOCSCCc1ccc(cc1)F 62a_100011217392_100000739092 [0,2,0,0,0,0|2,0,0]=4 26484 B14R1.14 CCOCSCCc1ccc(cc1)O 62a_100000739092_100009816426 [0,2,0,0,0,0|2,0,0]=4 26485 B14R1.14 CCOCSCCc1ccc(cc1)O 62a_100009816426_100000739092 [0,2,0,0,0,0|2,0,0]=4 26486 B14R1.14 CCSCCCCc1ccc(cc1)Br 62a_100000210202_200012094861 [0,2,0,0,0,0|1,0,0]=3 26487 B14R1.14 CCSCCCCc1ccc(cc1)Br 62a_200012094861_100000210202 [0,2,0,0,0,0|1,0,0]=3 26488 B14R1.14 CCSCCCCc1ccc(cc1)F 62a_100000210202_100012093538 [0,2,0,0,0,0|1,0,0]=3 26489 B14R1.14 CCSCCCCc1ccc(cc1)F 62a_100012093538_100000210202 [0,2,0,0,0,0|1,0,0]=3 26490 B14R1.14 CCSCCCOc1ccc(cc1)Br 62a_100000210202_100011259224 [0,2,0,0,0,0|2,0,0]=4 26491 B14R1.14 CCSCCCOc1ccc(cc1)Br 62a_100011259224_100000210202 [0,2,0,0,0,0|2,0,0]=4 26492 B14R1.14 CCSCCCOc1ccc(cc1)F 62a_100000181347_100000210202 [0,2,0,0,0,0|2,0,0]=4 26493 B14R1.14 CCSCCCOc1ccc(cc1)F 62a_100000210202_100000181347 [0,2,0,0,0,0|2,0,0]=4 26494 B14R1.14 CCSCCNCc1ccc(cc1)Br 207a_100000106463_100000186029 [0,2,0,0,0,0|2,0,0]=4 26495 B14R1.14 CCSCCNCc1ccc(cc1)Br 2230a_100000106463_100011217064 [0,2,0,0,0,0|2,0,0]=4 26496 B14R1.14 CCSCCNCc1ccc(cc1)Br 2230a_100000174875_100000757381 [0,2,0,0,0,0|2,0,0]=4 26497 B14R1.14 CCSCCNCc1ccc(cc1)Br 270004a_100000106463_100000186029 [0,2,0,0,0,0|2,0,0]=4 26498 B14R1.14 CCSCCNCc1ccc(cc1)Br 34a_100000174875_100000757381 [0,2,0,0,0,0|2,0,0]=4 26499 B14R1.14 CCSCCNCc1ccc(cc1)C 207a_100000106463_100000211033 [0,2,0,0,0,0|2,0,0]=4 26500 B14R1.14 CCSCCNCc1ccc(cc1)C 2230a_100000106463_100000210814 [0,2,0,0,0,0|2,0,0]=4 26501 B14R1.14 CCSCCNCc1ccc(cc1)C 2230a_100000174908_100000757381 [0,2,0,0,0,0|2,0,0]=4 26502 B14R1.14 CCSCCNCc1ccc(cc1)C 270004a_100000106463_100000211033 [0,2,0,0,0,0|2,0,0]=4 26503 B14R1.14 CCSCCNCc1ccc(cc1)C 34a_100000174908_100000757381 [0,2,0,0,0,0|2,0,0]=4 26504 B14R1.14 CCSCCNCc1ccc(cc1)Cl 207a_100000106463_100000189385 [0,2,0,0,0,0|2,0,0]=4 26505 B14R1.14 CCSCCNCc1ccc(cc1)Cl 2230a_100000106463_100000694040 [0,2,0,0,0,0|2,0,0]=4 26506 B14R1.14 CCSCCNCc1ccc(cc1)Cl 2230a_100000174871_100000757381 [0,2,0,0,0,0|2,0,0]=4 26507 B14R1.14 CCSCCNCc1ccc(cc1)Cl 270004a_100000106463_100000189385 [0,2,0,0,0,0|2,0,0]=4 26508 B14R1.14 CCSCCNCc1ccc(cc1)Cl 34a_100000174871_100000757381 [0,2,0,0,0,0|2,0,0]=4 26509 B14R1.14 CCSCCNCc1ccc(cc1)F 207a_100000106463_100000210084 [0,2,0,0,0,0|2,0,0]=4 26510 B14R1.14 CCSCCNCc1ccc(cc1)F 2230a_100000106463_100000198546 [0,2,0,0,0,0|2,0,0]=4 26511 B14R1.14 CCSCCNCc1ccc(cc1)F 2230a_100000174882_100000757381 [0,2,0,0,0,0|2,0,0]=4 26512 B14R1.14 CCSCCNCc1ccc(cc1)F 270004a_100000106463_100000210084 [0,2,0,0,0,0|2,0,0]=4 26513 B14R1.14 CCSCCNCc1ccc(cc1)F 34a_100000174882_100000757381 [0,2,0,0,0,0|2,0,0]=4 26514 B14R1.14 CCSCCNCc1ccc(cc1)I 207a_100000106463_100000188517 [0,2,0,0,0,0|2,0,0]=4 26515 B14R1.14 CCSCCNCc1ccc(cc1)I 2230a_100000106463_100000189116 [0,2,0,0,0,0|2,0,0]=4 26516 B14R1.14 CCSCCNCc1ccc(cc1)I 2230a_100016989417_100000757381 [0,2,0,0,0,0|2,0,0]=4 26517 B14R1.14 CCSCCNCc1ccc(cc1)I 34a_100016989417_100000757381 [0,2,0,0,0,0|2,0,0]=4 26518 B14R1.14 CCSCCNCc1ccc(cc1)O 34a_100000185549_100000757381 [0,2,0,0,0,0|2,0,0]=4 26519 B14R1.14 CCSCCOCc1ccc(cc1)Br 34a_100000212035_100000189115 [0,2,0,0,0,0|2,0,0]=4 26520 B14R1.14 CCSCCOCc1ccc(cc1)Br 34a_100000695286_100000757381 [0,2,0,0,0,0|2,0,0]=4 26521 B14R1.14 CCSCCOCc1ccc(cc1)Br 7a_100000212035_100011217064 [0,2,0,0,0,0|2,0,0]=4 26522 B14R1.14 CCSCCOCc1ccc(cc1)C 34a_100000212035_100000210814 [0,2,0,0,0,0|2,0,0]=4 26523 B14R1.14 CCSCCOCc1ccc(cc1)C 34a_100011215236_100000757381 [0,2,0,0,0,0|2,0,0]=4 26524 B14R1.14 CCSCCOCc1ccc(cc1)C 7a_100000212035_100000210814 [0,2,0,0,0,0|2,0,0]=4 26525 B14R1.14 CCSCCOCc1ccc(cc1)C 7a_100011215236_100000757381 [0,2,0,0,0,0|2,0,0]=4 26526 B14R1.14 CCSCCOCc1ccc(cc1)Cl 34a_100000211118_100000757381 [0,2,0,0,0,0|2,0,0]=4 26527 B14R1.14 CCSCCOCc1ccc(cc1)Cl 34a_100000212035_100000694040 [0,2,0,0,0,0|2,0,0]=4 26528 B14R1.14 CCSCCOCc1ccc(cc1)Cl 7a_100000211118_100000757381 [0,2,0,0,0,0|2,0,0]=4 26529 B14R1.14 CCSCCOCc1ccc(cc1)Cl 7a_100000212035_100000187161 [0,2,0,0,0,0|2,0,0]=4 26530 B14R1.14 CCSCCOCc1ccc(cc1)F 34a_100000210977_100000757381 [0,2,0,0,0,0|2,0,0]=4 26531 B14R1.14 CCSCCOCc1ccc(cc1)F 34a_100000212035_100000198546 [0,2,0,0,0,0|2,0,0]=4 26532 B14R1.14 CCSCCOCc1ccc(cc1)F 7a_100000210977_100000757381 [0,2,0,0,0,0|2,0,0]=4 26533 B14R1.14 CCSCCOCc1ccc(cc1)F 7a_100000212035_100000198546 [0,2,0,0,0,0|2,0,0]=4 26534 B14R1.14 CCSCCOCc1ccc(cc1)I 34a_100000212035_100000189116 [0,2,0,0,0,0|2,0,0]=4 26535 B14R1.14 CCSCCOCc1ccc(cc1)I 34a_100000690907_100000757381 [0,2,0,0,0,0|2,0,0]=4 26536 B14R1.14 CCSCCOCc1ccc(cc1)I 7a_100000212035_100000189116 [0,2,0,0,0,0|2,0,0]=4 26537 B14R1.14 CCSCCOCc1ccc(cc1)I 7a_100000690907_100000757381 [0,2,0,0,0,0|2,0,0]=4 26538 B14R1.14 CCSCCOCc1ccc(cc1)N 34a_100011215238_100000757381 [0,2,0,0,0,0|2,0,0]=4 26539 B14R1.14 CCSCCSCc1ccc(cc1)Br 62a_100000189115_100000757381 [0,2,0,0,0,0|2,0,0]=4 26540 B14R1.14 CCSCCSCc1ccc(cc1)Br 62a_100000757381_100000189115 [0,2,0,0,0,0|2,0,0]=4 26541 B14R1.14 CCSCCSCc1ccc(cc1)C 62a_100000210814_100000757381 [0,2,0,0,0,0|2,0,0]=4 26542 B14R1.14 CCSCCSCc1ccc(cc1)C 62a_100000757381_100000210814 [0,2,0,0,0,0|2,0,0]=4 26543 B14R1.14 CCSCCSCc1ccc(cc1)Cl 62a_100000187161_100000757381 [0,2,0,0,0,0|2,0,0]=4 26544 B14R1.14 CCSCCSCc1ccc(cc1)Cl 62a_100000757381_100000187161 [0,2,0,0,0,0|2,0,0]=4 26545 B14R1.14 CCSCCSCc1ccc(cc1)F 62a_100000198546_100000757381 [0,2,0,0,0,0|2,0,0]=4 26546 B14R1.14 CCSCCSCc1ccc(cc1)F 62a_100000757381_100000187164 [0,2,0,0,0,0|2,0,0]=4 26547 B14R1.14 CCSCCSCc1ccc(cc1)I 62a_100000189116_100000757381 [0,2,0,0,0,0|2,0,0]=4 26548 B14R1.14 CCSCCSCc1ccc(cc1)I 62a_100000757381_100000189116 [0,2,0,0,0,0|2,0,0]=4 26549 B14R1.14 CNCCCCOc1ccc(cc1)Br 2230a_106832991635_100011270094 [0,2,0,0,0,0|2,0,0]=4 26550 B14R1.14 CNCCCCOc1ccc(cc1)Br 34a_100102657272_100011270094 [0,2,0,0,0,0|2,0,0]=4 26551 B14R1.14 CNCCCCOc1ccc(cc1)Br 7a_106832991635_100011270094 [0,2,0,0,0,0|2,0,0]=4 26552 B14R1.14 CNCCCCOc1ccc(cc1)Cl 2230a_100000707269_200000210301 [0,2,0,0,0,0|2,0,0]=4 26553 B14R1.14 CNCCCCOc1ccc(cc1)Cl 2230a_106832991635_100011270096 [0,2,0,0,0,0|2,0,0]=4 26554 B14R1.14 CNCCCCOc1ccc(cc1)Cl 34a_100000707269_200000210301 [0,2,0,0,0,0|2,0,0]=4 26555 B14R1.14 CNCCCCOc1ccc(cc1)Cl 34a_100102657272_100011270096 [0,2,0,0,0,0|2,0,0]=4 26556 B14R1.14 CNCCCCOc1ccc(cc1)Cl 7a_106832991635_100011270096 [0,2,0,0,0,0|2,0,0]=4 26557 B14R1.14 CNCCCOCc1ccc(cc1)Br 34a_100000213112_100000189115 [0,2,0,0,0,0|2,0,0]=4 26558 B14R1.14 CNCCCOCc1ccc(cc1)C 34a_100000213112_100000210814 [0,2,0,0,0,0|2,0,0]=4 26559 B14R1.14 CNCCCOCc1ccc(cc1)Cl 34a_100000213112_100000694040 [0,2,0,0,0,0|2,0,0]=4 26560 B14R1.14 CNCCCOCc1ccc(cc1)F 34a_100000213112_100000198546 [0,2,0,0,0,0|2,0,0]=4 26561 B14R1.14 CNCCCOCc1ccc(cc1)I 34a_100000213112_100000189116 [0,2,0,0,0,0|2,0,0]=4 26562 B14R1.14 CNCCCSCc1ccc(cc1)Cl 2230a_100000189522_200000210301 [0,2,0,0,0,0|2,0,0]=4 26563 B14R1.14 CNCCCSCc1ccc(cc1)Cl 34a_100000189522_200000210301 [0,2,0,0,0,0|2,0,0]=4 26564 B14R1.14 CNCCCSCc1ccc(cc1)Cl 7a_100000189522_200000210301 [0,2,0,0,0,0|2,0,0]=4 26565 B14R1.14 CNCCCSCc1ccc(cc1)F 2230a_100012017345_200000210301 [0,2,0,0,0,0|2,0,0]=4 26566 B14R1.14 CNCCCSCc1ccc(cc1)F 34a_100012017345_200000210301 [0,2,0,0,0,0|2,0,0]=4 26567 B14R1.14 CNCCCSCc1ccc(cc1)F 7a_100012017345_200000210301 [0,2,0,0,0,0|2,0,0]=4 26568 B14R1.14 COCCCCNc1ccc(cc1)Br 2230a_100000210018_100000730899 [0,2,0,0,0,0|1,0,0]=3 26569 B14R1.14 COCCCCNc1ccc(cc1)Br 34a_100000210018_100000755781 [0,2,0,0,0,0|1,0,0]=3 26570 B14R1.14 COCCCCNc1ccc(cc1)C 34a_100000124888_100000755781 [0,2,0,0,0,0|1,0,0]=3 26571 B14R1.14 COCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000730899 [0,2,0,0,0,0|1,0,0]=3 26572 B14R1.14 COCCCCNc1ccc(cc1)Cl 34a_100000210052_100000755781 [0,2,0,0,0,0|1,0,0]=3 26573 B14R1.14 COCCCCNc1ccc(cc1)F 34a_100000185862_100000755781 [0,2,0,0,0,0|1,0,0]=3 26574 B14R1.14 COCCCCNc1ccc(cc1)I 34a_100000185761_100000755781 [0,2,0,0,0,0|1,0,0]=3 26575 B14R1.14 COCCCCNc1ccc(cc1)O 34a_100000185829_100000755781 [0,2,0,0,0,0|1,0,0]=3 26576 B14R1.14 COCCCCNc1ccc(cn1)O 271570a_203496583355_200000725951 [0,2,0,0,0,0|2,0,0]=4 26577 B14R1.14 COCCCCOc1ccc(=O)[nH]c1 34a_100000075641_100000755781 [0,2,0,0,0,0|2,0,0]=4 26578 B14R1.14 COCCCCOc1ccc(cc1)Br 34a_100000185759_100000755781 [0,2,0,0,0,0|1,0,0]=3 26579 B14R1.14 COCCCCOc1ccc(cc1)Br 34a_100138415774_100011270094 [0,2,0,0,0,0|1,0,0]=3 26580 B14R1.14 COCCCCOc1ccc(cc1)Br 7a_100000185759_100000730899 [0,2,0,0,0,0|1,0,0]=3 26581 B14R1.14 COCCCCOc1ccc(cc1)C 34a_100000210336_100000755781 [0,2,0,0,0,0|1,0,0]=3 26582 B14R1.14 COCCCCOc1ccc(cc1)C 7a_100000210336_100000730899 [0,2,0,0,0,0|1,0,0]=3 26583 B14R1.14 COCCCCOc1ccc(cc1)Cl 34a_100000210216_100000755781 [0,2,0,0,0,0|1,0,0]=3 26584 B14R1.14 COCCCCOc1ccc(cc1)Cl 34a_100138415774_100011270096 [0,2,0,0,0,0|1,0,0]=3 26585 B14R1.14 COCCCCOc1ccc(cc1)Cl 7a_100000210216_100000730899 [0,2,0,0,0,0|1,0,0]=3 26586 B14R1.14 COCCCCOc1ccc(cc1)F 34a_100000210339_100000755781 [0,2,0,0,0,0|1,0,0]=3 26587 B14R1.14 COCCCCOc1ccc(cc1)I 34a_100000212066_100000755781 [0,2,0,0,0,0|1,0,0]=3 26588 B14R1.14 COCCCCOc1ccc(cc1)I 7a_100000212066_100000730899 [0,2,0,0,0,0|1,0,0]=3 26589 B14R1.14 COCCCCOc1ccc(cc1)N 34a_100000185829_100000755781 [0,2,0,0,0,0|1,0,0]=3 26590 B14R1.14 COCCCCOc1ccc(cn1)C 34a_100000759353_100000755781 [0,2,0,0,0,0|2,0,0]=4 26591 B14R1.14 COCCCCOc1ccc(cn1)Cl 34a_100011215309_100000755781 [0,2,0,0,0,0|2,0,0]=4 26592 B14R1.14 COCCCCOc1ccc(cn1)F 34a_100000742473_100000755781 [0,2,0,0,0,0|2,0,0]=4 26593 B14R1.14 COCCCCOc1ccc(cn1)N 34a_100000729260_100000755781 [0,2,0,0,0,0|2,0,0]=4 26594 B14R1.14 COCCCCOc1ccc(nc1)Br 34a_100000685995_100000755781 [0,2,0,0,0,0|2,0,0]=4 26595 B14R1.14 COCCCCOc1ccc(nc1)Br 7a_100000685995_100000730899 [0,2,0,0,0,0|2,0,0]=4 26596 B14R1.14 COCCCCOc1ccc(nc1)C 34a_100000745506_100000755781 [0,2,0,0,0,0|2,0,0]=4 26597 B14R1.14 COCCCCOc1ccc(nc1)C 7a_100000745506_100000730899 [0,2,0,0,0,0|2,0,0]=4 26598 B14R1.14 COCCCCOc1ccc(nc1)Cl 34a_100000744096_100000755781 [0,2,0,0,0,0|2,0,0]=4 26599 B14R1.14 COCCCCOc1ccc(nc1)Cl 7a_100000744096_100000730899 [0,2,0,0,0,0|2,0,0]=4 26600 B14R1.14 COCCCCOc1ccc(nc1)F 34a_100000688820_100000755781 [0,2,0,0,0,0|2,0,0]=4 26601 B14R1.14 COCCCCOc1ccc(nc1)F 7a_100000688820_100000730899 [0,2,0,0,0,0|2,0,0]=4 26602 B14R1.14 COCCCCOc1ccc(nc1)I 34a_100000687607_100000755781 [0,2,0,0,0,0|2,0,0]=4 26603 B14R1.14 COCCCCOc1ccc(nc1)I 7a_100000687607_100000730899 [0,2,0,0,0,0|2,0,0]=4 26604 B14R1.14 COCCCCOc1ccc(nc1)N 34a_100015188713_100000755781 [0,2,0,0,0,0|2,0,0]=4 26605 B14R1.14 COCCCCOc1ccc(nc1)N 7a_100015188713_100000730899 [0,2,0,0,0,0|2,0,0]=4 26606 B14R1.14 COCCCCSc1cc[n+](cc1)[O-] 62a_100000730899_100000039755 [0,2,0,0,0,0|2,0,0]=4 26607 B14R1.14 COCCCCSc1ccc(=O)[nH]c1 62a_100000212171_100000730899 [0,2,0,0,0,0|2,0,0]=4 26608 B14R1.14 COCCCCSc1ccc(=O)[nH]c1 62a_100000730899_100000212171 [0,2,0,0,0,0|2,0,0]=4 26609 B14R1.14 COCCCCSc1ccc(cc1)Br 62a_100000730899_100000752885 [0,2,0,0,0,0|1,0,0]=3 26610 B14R1.14 COCCCCSc1ccc(cc1)Br 62a_100000752885_100000730899 [0,2,0,0,0,0|1,0,0]=3 26611 B14R1.14 COCCCCSc1ccc(cc1)C 62a_100000186775_100000730899 [0,2,0,0,0,0|1,0,0]=3 26612 B14R1.14 COCCCCSc1ccc(cc1)C 62a_100000730899_100000186775 [0,2,0,0,0,0|1,0,0]=3 26613 B14R1.14 COCCCCSc1ccc(cc1)Cl 62a_100000730899_100000755918 [0,2,0,0,0,0|1,0,0]=3 26614 B14R1.14 COCCCCSc1ccc(cc1)Cl 62a_100000755918_100000730899 [0,2,0,0,0,0|1,0,0]=3 26615 B14R1.14 COCCCCSc1ccc(cc1)F 62a_100000211213_100000730899 [0,2,0,0,0,0|1,0,0]=3 26616 B14R1.14 COCCCCSc1ccc(cc1)F 62a_100000730899_100000211213 [0,2,0,0,0,0|1,0,0]=3 26617 B14R1.14 COCCCCSc1ccc(cc1)N 62a_100000185761_100000730899 [0,2,0,0,0,0|1,0,0]=3 26618 B14R1.14 COCCCCSc1ccc(cc1)N 62a_100000730899_100000185761 [0,2,0,0,0,0|1,0,0]=3 26619 B14R1.14 COCCCCSc1ccc(cc1)O 62a_100000730899_100000185759 [0,2,0,0,0,0|1,0,0]=3 26620 B14R1.14 COCCCCSc1ccc(cn1)Br 62a_100000686858_100000730899 [0,2,0,0,0,0|2,0,0]=4 26621 B14R1.14 COCCCCSc1ccc(cn1)Br 62a_100000730899_100000686858 [0,2,0,0,0,0|2,0,0]=4 26622 B14R1.14 COCCCCSc1ccc(cn1)C 62a_100000730899_100000754016 [0,2,0,0,0,0|2,0,0]=4 26623 B14R1.14 COCCCCSc1ccc(cn1)C 62a_100011192072_100000730899 [0,2,0,0,0,0|2,0,0]=4 26624 B14R1.14 COCCCCSc1ccc(cn1)Cl 62a_100000730899_100011356976 [0,2,0,0,0,0|2,0,0]=4 26625 B14R1.14 COCCCCSc1ccc(cn1)Cl 62a_100011356976_100000730899 [0,2,0,0,0,0|2,0,0]=4 26626 B14R1.14 COCCCCSc1ccc(cn1)F 62a_100000730899_100000744514 [0,2,0,0,0,0|2,0,0]=4 26627 B14R1.14 COCCCCSc1ccc(cn1)F 62a_100000744514_100000730899 [0,2,0,0,0,0|2,0,0]=4 26628 B14R1.14 COCCCCSc1ccc(cn1)N 62a_100000730899_100000737798 [0,2,0,0,0,0|2,0,0]=4 26629 B14R1.14 COCCCCSc1ccc(cn1)N 62a_100000737798_100000730899 [0,2,0,0,0,0|2,0,0]=4 26630 B14R1.14 COCCCCSc1ccc(cn1)O 62a_100000685995_100000730899 [0,2,0,0,0,0|2,0,0]=4 26631 B14R1.14 COCCCCSc1ccc(cn1)O 62a_100000730899_100000744096 [0,2,0,0,0,0|2,0,0]=4 26632 B14R1.14 COCCCCSc1ccc(nc1)Br 62a_100000730899_100009814638 [0,2,0,0,0,0|2,0,0]=4 26633 B14R1.14 COCCCCSc1ccc(nc1)Br 62a_100009814638_100000730899 [0,2,0,0,0,0|2,0,0]=4 26634 B14R1.14 COCCCCSc1ccc(nc1)C 62a_100000730899_100000751577 [0,2,0,0,0,0|2,0,0]=4 26635 B14R1.14 COCCCCSc1ccc(nc1)C 62a_100000751577_100000730899 [0,2,0,0,0,0|2,0,0]=4 26636 B14R1.14 COCCCCSc1ccc(nc1)Cl 62a_100000034144_100000730899 [0,2,0,0,0,0|2,0,0]=4 26637 B14R1.14 COCCCCSc1ccc(nc1)Cl 62a_100000730899_100000034144 [0,2,0,0,0,0|2,0,0]=4 26638 B14R1.14 COCCCCSc1ccc(nc1)F 62a_100000042367_100000730899 [0,2,0,0,0,0|2,0,0]=4 26639 B14R1.14 COCCCCSc1ccc(nc1)F 62a_100000730899_100000042367 [0,2,0,0,0,0|2,0,0]=4 26640 B14R1.14 COCCCCSc1ccc(nc1)N 62a_100000187370_100000730899 [0,2,0,0,0,0|2,0,0]=4 26641 B14R1.14 COCCCCSc1ccc(nc1)N 62a_100000730899_100000187370 [0,2,0,0,0,0|2,0,0]=4 26642 B14R1.14 COCCCNCc1ccc(cc1)Br 207a_100150723488_100000186029 [0,2,0,0,0,0|1,0,0]=3 26643 B14R1.14 COCCCNCc1ccc(cc1)Br 2230a_100000174875_100000740836 [0,2,0,0,0,0|1,0,0]=3 26644 B14R1.14 COCCCNCc1ccc(cc1)Br 270004a_100150723488_100000186029 [0,2,0,0,0,0|1,0,0]=3 26645 B14R1.14 COCCCNCc1ccc(cc1)Br 34a_100000174875_100000740836 [0,2,0,0,0,0|1,0,0]=3 26646 B14R1.14 COCCCNCc1ccc(cc1)Br 34a_100150723488_100000189115 [0,2,0,0,0,0|1,0,0]=3 26647 B14R1.14 COCCCNCc1ccc(cc1)C 207a_100150723488_100000211033 [0,2,0,0,0,0|1,0,0]=3 26648 B14R1.14 COCCCNCc1ccc(cc1)C 2230a_100000174908_100000740836 [0,2,0,0,0,0|1,0,0]=3 26649 B14R1.14 COCCCNCc1ccc(cc1)C 270004a_100150723488_100000211033 [0,2,0,0,0,0|1,0,0]=3 26650 B14R1.14 COCCCNCc1ccc(cc1)C 34a_100000174908_100000740836 [0,2,0,0,0,0|1,0,0]=3 26651 B14R1.14 COCCCNCc1ccc(cc1)C 34a_100015185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 26652 B14R1.14 COCCCNCc1ccc(cc1)C 34a_100150723488_100000210814 [0,2,0,0,0,0|1,0,0]=3 26653 B14R1.14 COCCCNCc1ccc(cc1)Cl 207a_100150723488_100000189385 [0,2,0,0,0,0|1,0,0]=3 26654 B14R1.14 COCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000740836 [0,2,0,0,0,0|1,0,0]=3 26655 B14R1.14 COCCCNCc1ccc(cc1)Cl 270004a_100150723488_100000189385 [0,2,0,0,0,0|1,0,0]=3 26656 B14R1.14 COCCCNCc1ccc(cc1)Cl 34a_100000174871_100000740836 [0,2,0,0,0,0|1,0,0]=3 26657 B14R1.14 COCCCNCc1ccc(cc1)Cl 34a_100015186341_200000210301 [0,2,0,0,0,0|1,0,0]=3 26658 B14R1.14 COCCCNCc1ccc(cc1)Cl 34a_100150723488_100000694040 [0,2,0,0,0,0|1,0,0]=3 26659 B14R1.14 COCCCNCc1ccc(cc1)F 207a_100150723488_100000210084 [0,2,0,0,0,0|1,0,0]=3 26660 B14R1.14 COCCCNCc1ccc(cc1)F 2230a_100000174882_100000740836 [0,2,0,0,0,0|1,0,0]=3 26661 B14R1.14 COCCCNCc1ccc(cc1)F 270004a_100150723488_100000210084 [0,2,0,0,0,0|1,0,0]=3 26662 B14R1.14 COCCCNCc1ccc(cc1)F 34a_100000174882_100000740836 [0,2,0,0,0,0|1,0,0]=3 26663 B14R1.14 COCCCNCc1ccc(cc1)F 34a_100000180847_200000210301 [0,2,0,0,0,0|1,0,0]=3 26664 B14R1.14 COCCCNCc1ccc(cc1)F 34a_100150723488_100000198546 [0,2,0,0,0,0|1,0,0]=3 26665 B14R1.14 COCCCNCc1ccc(cc1)I 207a_100150723488_100000188517 [0,2,0,0,0,0|1,0,0]=3 26666 B14R1.14 COCCCNCc1ccc(cc1)I 2230a_100016989417_100000740836 [0,2,0,0,0,0|1,0,0]=3 26667 B14R1.14 COCCCNCc1ccc(cc1)I 34a_100016989417_100000740836 [0,2,0,0,0,0|1,0,0]=3 26668 B14R1.14 COCCCNCc1ccc(cc1)I 34a_100150723488_100000189116 [0,2,0,0,0,0|1,0,0]=3 26669 B14R1.14 COCCCNCc1ccc(cc1)O 34a_100000185549_100000740836 [0,2,0,0,0,0|1,0,0]=3 26670 B14R1.14 COCCCNCc1ccc(cn1)Br 207a_100150723488_100000754260 [0,2,0,0,0,0|2,0,0]=4 26671 B14R1.14 COCCCNCc1ccc(cn1)Br 270004a_100150723488_100000754260 [0,2,0,0,0,0|2,0,0]=4 26672 B14R1.14 COCCCNCc1ccc(cn1)Br 34a_100015188789_100000740836 [0,2,0,0,0,0|2,0,0]=4 26673 B14R1.14 COCCCNCc1ccc(cn1)Br 34a_100150723488_100000702658 [0,2,0,0,0,0|2,0,0]=4 26674 B14R1.14 COCCCNCc1ccc(cn1)C 207a_100150723488_100000050478 [0,2,0,0,0,0|2,0,0]=4 26675 B14R1.14 COCCCNCc1ccc(cn1)C 270004a_100150723488_100000050478 [0,2,0,0,0,0|2,0,0]=4 26676 B14R1.14 COCCCNCc1ccc(cn1)C 34a_100015187455_100000740836 [0,2,0,0,0,0|2,0,0]=4 26677 B14R1.14 COCCCNCc1ccc(cn1)C 34a_100150723488_100000691093 [0,2,0,0,0,0|2,0,0]=4 26678 B14R1.14 COCCCNCc1ccc(cn1)Cl 207a_100150723488_100011361569 [0,2,0,0,0,0|2,0,0]=4 26679 B14R1.14 COCCCNCc1ccc(cn1)Cl 270004a_100150723488_100011361569 [0,2,0,0,0,0|2,0,0]=4 26680 B14R1.14 COCCCNCc1ccc(cn1)Cl 34a_100000697193_100000740836 [0,2,0,0,0,0|2,0,0]=4 26681 B14R1.14 COCCCNCc1ccc(cn1)Cl 34a_100150723488_100012066911 [0,2,0,0,0,0|2,0,0]=4 26682 B14R1.14 COCCCNCc1ccc(cn1)F 207a_100150723488_100011934744 [0,2,0,0,0,0|2,0,0]=4 26683 B14R1.14 COCCCNCc1ccc(cn1)F 270004a_100150723488_100011934744 [0,2,0,0,0,0|2,0,0]=4 26684 B14R1.14 COCCCNCc1ccc(cn1)F 34a_100020620131_100000740836 [0,2,0,0,0,0|2,0,0]=4 26685 B14R1.14 COCCCNCc1ccc(cn1)F 34a_100150723488_100000703193 [0,2,0,0,0,0|2,0,0]=4 26686 B14R1.14 COCCCNCc1ccc(nc1)Br 2230a_100009817727_100000740836 [0,2,0,0,0,0|2,0,0]=4 26687 B14R1.14 COCCCNCc1ccc(nc1)Br 34a_100009817727_100000740836 [0,2,0,0,0,0|2,0,0]=4 26688 B14R1.14 COCCCNCc1ccc(nc1)Br 34a_100150723488_100009831999 [0,2,0,0,0,0|2,0,0]=4 26689 B14R1.14 COCCCNCc1ccc(nc1)C 270004a_100150723488_100000743784 [0,2,0,0,0,0|2,0,0]=4 26690 B14R1.14 COCCCNCc1ccc(nc1)C 34a_100000740942_100000740836 [0,2,0,0,0,0|2,0,0]=4 26691 B14R1.14 COCCCNCc1ccc(nc1)C 34a_100150723488_100016987292 [0,2,0,0,0,0|2,0,0]=4 26692 B14R1.14 COCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000740836 [0,2,0,0,0,0|2,0,0]=4 26693 B14R1.14 COCCCNCc1ccc(nc1)Cl 34a_100000735879_100000740836 [0,2,0,0,0,0|2,0,0]=4 26694 B14R1.14 COCCCNCc1ccc(nc1)Cl 34a_100150723488_100000735431 [0,2,0,0,0,0|2,0,0]=4 26695 B14R1.14 COCCCNCc1ccc(nc1)F 2230a_100000101913_100000740836 [0,2,0,0,0,0|2,0,0]=4 26696 B14R1.14 COCCCNCc1ccc(nc1)F 34a_100000101913_100000740836 [0,2,0,0,0,0|2,0,0]=4 26697 B14R1.14 COCCCNCc1ccc(nc1)F 34a_100150723488_100000099788 [0,2,0,0,0,0|2,0,0]=4 26698 B14R1.14 COCCCNCc1ccc(nc1)O 207a_100150723488_100011361521 [0,2,0,0,0,0|2,0,0]=4 26699 B14R1.14 COCCCNCc1ccc(nc1)O 2230a_100000757128_100000740836 [0,2,0,0,0,0|2,0,0]=4 26700 B14R1.14 COCCCOCc1cc[n+](cc1)C 34a_100009831711_100000740836 [0,2,0,0,0,0|2,0,0]=4 26701 B14R1.14 COCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000740836 [0,2,0,0,0,0|2,0,0]=4 26702 B14R1.14 COCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000740836 [0,2,0,0,0,0|2,0,0]=4 26703 B14R1.14 COCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000740836 [0,2,0,0,0,0|2,0,0]=4 26704 B14R1.14 COCCCOCc1ccc(cc1)Br 34a_100000695286_100000740836 [0,2,0,0,0,0|1,0,0]=3 26705 B14R1.14 COCCCOCc1ccc(cc1)Br 34a_100000740835_100000189115 [0,2,0,0,0,0|1,0,0]=3 26706 B14R1.14 COCCCOCc1ccc(cc1)C 34a_100000740835_100000210814 [0,2,0,0,0,0|1,0,0]=3 26707 B14R1.14 COCCCOCc1ccc(cc1)C 34a_100011215236_100000740836 [0,2,0,0,0,0|1,0,0]=3 26708 B14R1.14 COCCCOCc1ccc(cc1)C 7a_100011215236_100000740836 [0,2,0,0,0,0|1,0,0]=3 26709 B14R1.14 COCCCOCc1ccc(cc1)Cl 34a_100000211118_100000740836 [0,2,0,0,0,0|1,0,0]=3 26710 B14R1.14 COCCCOCc1ccc(cc1)Cl 34a_100000740835_100000694040 [0,2,0,0,0,0|1,0,0]=3 26711 B14R1.14 COCCCOCc1ccc(cc1)Cl 7a_100000211118_100000740836 [0,2,0,0,0,0|1,0,0]=3 26712 B14R1.14 COCCCOCc1ccc(cc1)F 34a_100000210977_100000740836 [0,2,0,0,0,0|1,0,0]=3 26713 B14R1.14 COCCCOCc1ccc(cc1)F 34a_100000740835_100000198546 [0,2,0,0,0,0|1,0,0]=3 26714 B14R1.14 COCCCOCc1ccc(cc1)F 7a_100000210977_100000740836 [0,2,0,0,0,0|1,0,0]=3 26715 B14R1.14 COCCCOCc1ccc(cc1)I 34a_100000690907_100000740836 [0,2,0,0,0,0|1,0,0]=3 26716 B14R1.14 COCCCOCc1ccc(cc1)I 34a_100000740835_100000189116 [0,2,0,0,0,0|1,0,0]=3 26717 B14R1.14 COCCCOCc1ccc(cc1)I 7a_100000690907_100000740836 [0,2,0,0,0,0|1,0,0]=3 26718 B14R1.14 COCCCOCc1ccc(cc1)N 34a_100011215238_100000740836 [0,2,0,0,0,0|1,0,0]=3 26719 B14R1.14 COCCCOCc1ccc(cn1)Br 34a_100000740835_100000702658 [0,2,0,0,0,0|2,0,0]=4 26720 B14R1.14 COCCCOCc1ccc(cn1)Br 34a_100000754261_100000740836 [0,2,0,0,0,0|2,0,0]=4 26721 B14R1.14 COCCCOCc1ccc(cn1)C 34a_100000740835_100000691093 [0,2,0,0,0,0|2,0,0]=4 26722 B14R1.14 COCCCOCc1ccc(cn1)C 34a_100012001401_100000740836 [0,2,0,0,0,0|2,0,0]=4 26723 B14R1.14 COCCCOCc1ccc(cn1)Cl 34a_100000703999_100000740836 [0,2,0,0,0,0|2,0,0]=4 26724 B14R1.14 COCCCOCc1ccc(cn1)Cl 34a_100000740835_100012066911 [0,2,0,0,0,0|2,0,0]=4 26725 B14R1.14 COCCCOCc1ccc(cn1)F 34a_100000740835_100000703193 [0,2,0,0,0,0|2,0,0]=4 26726 B14R1.14 COCCCOCc1ccc(cn1)F 34a_100011999454_100000740836 [0,2,0,0,0,0|2,0,0]=4 26727 B14R1.14 COCCCOCc1ccc(cn1)N 34a_100011998161_100000740836 [0,2,0,0,0,0|2,0,0]=4 26728 B14R1.14 COCCCOCc1ccc(nc1)Br 34a_100000740835_100009831999 [0,2,0,0,0,0|2,0,0]=4 26729 B14R1.14 COCCCOCc1ccc(nc1)Br 34a_100009816760_100000740836 [0,2,0,0,0,0|2,0,0]=4 26730 B14R1.14 COCCCOCc1ccc(nc1)Br 7a_100009816760_100000740836 [0,2,0,0,0,0|2,0,0]=4 26731 B14R1.14 COCCCOCc1ccc(nc1)C 34a_100000740835_100016987292 [0,2,0,0,0,0|2,0,0]=4 26732 B14R1.14 COCCCOCc1ccc(nc1)C 34a_100011248133_100000740836 [0,2,0,0,0,0|2,0,0]=4 26733 B14R1.14 COCCCOCc1ccc(nc1)Cl 34a_100000740835_100000735431 [0,2,0,0,0,0|2,0,0]=4 26734 B14R1.14 COCCCOCc1ccc(nc1)Cl 34a_100000755211_100000740836 [0,2,0,0,0,0|2,0,0]=4 26735 B14R1.14 COCCCOCc1ccc(nc1)Cl 7a_100000755211_100000740836 [0,2,0,0,0,0|2,0,0]=4 26736 B14R1.14 COCCCOCc1ccc(nc1)F 34a_100000079959_100000740836 [0,2,0,0,0,0|2,0,0]=4 26737 B14R1.14 COCCCOCc1ccc(nc1)F 34a_100000740835_100000099788 [0,2,0,0,0,0|2,0,0]=4 26738 B14R1.14 COCCCOCc1ccc(nc1)N 34a_100000704267_100000740836 [0,2,0,0,0,0|2,0,0]=4 26739 B14R1.14 COCCCSCc1ccc(cc1)Br 62a_100000189115_100000709357 [0,2,0,0,0,0|1,0,0]=3 26740 B14R1.14 COCCCSCc1ccc(cc1)Br 62a_100000709357_100000189115 [0,2,0,0,0,0|1,0,0]=3 26741 B14R1.14 COCCCSCc1ccc(cc1)C 62a_100000210814_100000709357 [0,2,0,0,0,0|1,0,0]=3 26742 B14R1.14 COCCCSCc1ccc(cc1)C 62a_100000709357_100000210814 [0,2,0,0,0,0|1,0,0]=3 26743 B14R1.14 COCCCSCc1ccc(cc1)Cl 62a_100000187161_100000709357 [0,2,0,0,0,0|1,0,0]=3 26744 B14R1.14 COCCCSCc1ccc(cc1)Cl 62a_100000709357_100000187161 [0,2,0,0,0,0|1,0,0]=3 26745 B14R1.14 COCCCSCc1ccc(cc1)F 62a_100000198546_100000709357 [0,2,0,0,0,0|1,0,0]=3 26746 B14R1.14 COCCCSCc1ccc(cc1)F 62a_100000709357_100000187164 [0,2,0,0,0,0|1,0,0]=3 26747 B14R1.14 COCCCSCc1ccc(cc1)I 62a_100000189116_100000709357 [0,2,0,0,0,0|1,0,0]=3 26748 B14R1.14 COCCCSCc1ccc(cc1)I 62a_100000709357_100000189116 [0,2,0,0,0,0|1,0,0]=3 26749 B14R1.14 COCCCSCc1ccc(cn1)Br 62a_100000702658_100000709357 [0,2,0,0,0,0|2,0,0]=4 26750 B14R1.14 COCCCSCc1ccc(cn1)Br 62a_100000709357_100000702658 [0,2,0,0,0,0|2,0,0]=4 26751 B14R1.14 COCCCSCc1ccc(cn1)C 62a_100000691093_100000709357 [0,2,0,0,0,0|2,0,0]=4 26752 B14R1.14 COCCCSCc1ccc(cn1)C 62a_100000709357_100000691093 [0,2,0,0,0,0|2,0,0]=4 26753 B14R1.14 COCCCSCc1ccc(cn1)Cl 62a_100000709357_100000697101 [0,2,0,0,0,0|2,0,0]=4 26754 B14R1.14 COCCCSCc1ccc(cn1)Cl 62a_100012066911_100000709357 [0,2,0,0,0,0|2,0,0]=4 26755 B14R1.14 COCCCSCc1ccc(cn1)F 62a_100000703193_100000709357 [0,2,0,0,0,0|2,0,0]=4 26756 B14R1.14 COCCCSCc1ccc(cn1)F 62a_100000709357_100000703193 [0,2,0,0,0,0|2,0,0]=4 26757 B14R1.14 COCCCSCc1ccc(nc1)Br 62a_100000709357_100009831999 [0,2,0,0,0,0|2,0,0]=4 26758 B14R1.14 COCCCSCc1ccc(nc1)Br 62a_100009831999_100000709357 [0,2,0,0,0,0|2,0,0]=4 26759 B14R1.14 COCCCSCc1ccc(nc1)C 62a_100000709357_100016987292 [0,2,0,0,0,0|2,0,0]=4 26760 B14R1.14 COCCCSCc1ccc(nc1)C 62a_100016987292_100000709357 [0,2,0,0,0,0|2,0,0]=4 26761 B14R1.14 COCCCSCc1ccc(nc1)Cl 62a_100000709357_100000735431 [0,2,0,0,0,0|2,0,0]=4 26762 B14R1.14 COCCCSCc1ccc(nc1)Cl 62a_100000735431_100000709357 [0,2,0,0,0,0|2,0,0]=4 26763 B14R1.14 COCCCSCc1ccc(nc1)F 62a_100000709357_100000099788 [0,2,0,0,0,0|2,0,0]=4 26764 B14R1.14 COCCCSCc1ccc(nc1)F 62a_100009820150_100000709357 [0,2,0,0,0,0|2,0,0]=4 26765 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000209980_100011740612 [0,2,0,0,0,0|1,0,0]=3 26766 B14R1.14 COCCNCCc1ccc(cc1)Br 2230a_100000755846_100011201679 [0,2,0,0,0,0|1,0,0]=3 26767 B14R1.14 COCCNCCc1ccc(cc1)Br 34a_100000755846_100011201679 [0,2,0,0,0,0|1,0,0]=3 26768 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000209980_100011713686 [0,2,0,0,0,0|1,0,0]=3 26769 B14R1.14 COCCNCCc1ccc(cc1)C 2230a_100000705350_100011201679 [0,2,0,0,0,0|1,0,0]=3 26770 B14R1.14 COCCNCCc1ccc(cc1)C 34a_100000705350_100011201679 [0,2,0,0,0,0|1,0,0]=3 26771 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011201679 [0,2,0,0,0,0|1,0,0]=3 26772 B14R1.14 COCCNCCc1ccc(cc1)Cl 2230a_100000209980_100011713675 [0,2,0,0,0,0|1,0,0]=3 26773 B14R1.14 COCCNCCc1ccc(cc1)Cl 34a_100000185265_100011201679 [0,2,0,0,0,0|1,0,0]=3 26774 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000199005_100011201679 [0,2,0,0,0,0|1,0,0]=3 26775 B14R1.14 COCCNCCc1ccc(cc1)F 2230a_100000209980_100011217392 [0,2,0,0,0,0|1,0,0]=3 26776 B14R1.14 COCCNCCc1ccc(cc1)F 34a_100000199005_100011201679 [0,2,0,0,0,0|1,0,0]=3 26777 B14R1.14 COCCNCCc1ccc(cc1)O 2230a_100000209980_100009816426 [0,2,0,0,0,0|1,0,0]=3 26778 B14R1.14 COCCNCCc1ccc(cc1)O 34a_100000743037_100011201679 [0,2,0,0,0,0|1,0,0]=3 26779 B14R1.14 COCCOCCc1ccc(cc1)Br 34a_100000210237_100011740612 [0,2,0,0,0,0|1,0,0]=3 26780 B14R1.14 COCCOCCc1ccc(cc1)Br 34a_100000766406_100011201679 [0,2,0,0,0,0|1,0,0]=3 26781 B14R1.14 COCCOCCc1ccc(cc1)Br 7a_100000766406_100000233755 [0,2,0,0,0,0|1,0,0]=3 26782 B14R1.14 COCCOCCc1ccc(cc1)C 34a_100000210237_100011713686 [0,2,0,0,0,0|1,0,0]=3 26783 B14R1.14 COCCOCCc1ccc(cc1)C 34a_100000756670_100011201679 [0,2,0,0,0,0|1,0,0]=3 26784 B14R1.14 COCCOCCc1ccc(cc1)C 7a_100000756670_100000233755 [0,2,0,0,0,0|1,0,0]=3 26785 B14R1.14 COCCOCCc1ccc(cc1)Cl 34a_100000210237_100011713675 [0,2,0,0,0,0|1,0,0]=3 26786 B14R1.14 COCCOCCc1ccc(cc1)Cl 34a_100011219627_100011201679 [0,2,0,0,0,0|1,0,0]=3 26787 B14R1.14 COCCOCCc1ccc(cc1)Cl 7a_100011219627_100000233755 [0,2,0,0,0,0|1,0,0]=3 26788 B14R1.14 COCCOCCc1ccc(cc1)F 34a_100000210237_100011217392 [0,2,0,0,0,0|1,0,0]=3 26789 B14R1.14 COCCOCCc1ccc(cc1)F 34a_100000754732_100011201679 [0,2,0,0,0,0|1,0,0]=3 26790 B14R1.14 COCCOCCc1ccc(cc1)F 7a_100000754732_100000233755 [0,2,0,0,0,0|1,0,0]=3 26791 B14R1.14 COCCOCCc1ccc(cc1)I 34a_100012291149_100011201679 [0,2,0,0,0,0|1,0,0]=3 26792 B14R1.14 COCCOCCc1ccc(cc1)I 7a_100012291149_100000233755 [0,2,0,0,0,0|1,0,0]=3 26793 B14R1.14 COCCOCCc1ccc(cc1)N 34a_100011204434_100011201679 [0,2,0,0,0,0|1,0,0]=3 26794 B14R1.14 COCCOCCc1ccc(cn1)Br 34a_100012357577_100011201679 [0,2,0,0,0,0|2,0,0]=4 26795 B14R1.14 COCCOCCc1ccc(nc1)C 34a_100011815783_100011201679 [0,2,0,0,0,0|2,0,0]=4 26796 B14R1.14 COCCOCCc1ccc(nc1)Cl 34a_100009880866_100011201679 [0,2,0,0,0,0|2,0,0]=4 26797 B14R1.14 COCCOCCc1ccc(nc1)Cl 7a_100009880866_100000233755 [0,2,0,0,0,0|2,0,0]=4 26798 B14R1.14 COCCOCNc1ccc(cc1)Br 2230a_100000210018_100000231047 [0,2,0,0,0,0|2,0,0]=4 26799 B14R1.14 COCCOCNc1ccc(cc1)Cl 2230a_100000210052_100000231047 [0,2,0,0,0,0|2,0,0]=4 26800 B14R1.14 COCCOCSc1ccc(cc1)Br 62a_100000231047_100000752885 [0,2,0,0,0,0|2,0,0]=4 26801 B14R1.14 COCCOCSc1ccc(cc1)Br 62a_100000752885_100000231047 [0,2,0,0,0,0|2,0,0]=4 26802 B14R1.14 COCCOCSc1ccc(cc1)C 62a_100000186775_100000231047 [0,2,0,0,0,0|2,0,0]=4 26803 B14R1.14 COCCOCSc1ccc(cc1)C 62a_100000231047_100000186775 [0,2,0,0,0,0|2,0,0]=4 26804 B14R1.14 COCCOCSc1ccc(cc1)Cl 62a_100000231047_100000755918 [0,2,0,0,0,0|2,0,0]=4 26805 B14R1.14 COCCOCSc1ccc(cc1)Cl 62a_100000755918_100000231047 [0,2,0,0,0,0|2,0,0]=4 26806 B14R1.14 COCCOCSc1ccc(cc1)F 62a_100000211213_100000231047 [0,2,0,0,0,0|2,0,0]=4 26807 B14R1.14 COCCOCSc1ccc(cc1)F 62a_100000231047_100000211213 [0,2,0,0,0,0|2,0,0]=4 26808 B14R1.14 COCCOCSc1ccc(cc1)N 62a_100000185761_100000231047 [0,2,0,0,0,0|2,0,0]=4 26809 B14R1.14 COCCOCSc1ccc(cc1)N 62a_100000231047_100000185761 [0,2,0,0,0,0|2,0,0]=4 26810 B14R1.14 COCCOCSc1ccc(cc1)O 62a_100000231047_100000185759 [0,2,0,0,0,0|2,0,0]=4 26811 B14R1.14 COCCSCCc1ccc(cc1)Br 62a_100000233755_100011740612 [0,2,0,0,0,0|1,0,0]=3 26812 B14R1.14 COCCSCCc1ccc(cc1)Br 62a_100011740612_100000233755 [0,2,0,0,0,0|1,0,0]=3 26813 B14R1.14 COCCSCCc1ccc(cc1)C 62a_100000233755_100011713686 [0,2,0,0,0,0|1,0,0]=3 26814 B14R1.14 COCCSCCc1ccc(cc1)C 62a_100011713686_100000233755 [0,2,0,0,0,0|1,0,0]=3 26815 B14R1.14 COCCSCCc1ccc(cc1)Cl 62a_100000233755_100011713675 [0,2,0,0,0,0|1,0,0]=3 26816 B14R1.14 COCCSCCc1ccc(cc1)Cl 62a_100011713675_100000233755 [0,2,0,0,0,0|1,0,0]=3 26817 B14R1.14 COCCSCCc1ccc(cc1)F 62a_100000233755_100011217392 [0,2,0,0,0,0|1,0,0]=3 26818 B14R1.14 COCCSCCc1ccc(cc1)F 62a_100011217392_100000233755 [0,2,0,0,0,0|1,0,0]=3 26819 B14R1.14 COCCSCCc1ccc(cc1)O 62a_100000233755_100009816426 [0,2,0,0,0,0|1,0,0]=3 26820 B14R1.14 COCCSCCc1ccc(cc1)O 62a_100009816426_100000233755 [0,2,0,0,0,0|1,0,0]=3 26821 B14R1.14 COCNCCCc1ccc(cc1)Br 2230a_100011297623_100000766300 [0,2,0,0,0,0|1,0,0]=3 26822 B14R1.14 COCNCCCc1ccc(cc1)C 2230a_100011236272_100000766300 [0,2,0,0,0,0|1,0,0]=3 26823 B14R1.14 COCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000766300 [0,2,0,0,0,0|1,0,0]=3 26824 B14R1.14 COCNCCCc1ccc(cc1)F 2230a_100025745824_100000766300 [0,2,0,0,0,0|1,0,0]=3 26825 B14R1.14 COCNCCOc1ccc(cc1)Br 2230a_100000746992_100000766300 [0,2,0,0,0,0|2,0,0]=4 26826 B14R1.14 COCNCCOc1ccc(cc1)C 2230a_100020666663_100000766300 [0,2,0,0,0,0|2,0,0]=4 26827 B14R1.14 COCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000766300 [0,2,0,0,0,0|2,0,0]=4 26828 B14R1.14 COCNCCOc1ccc(cc1)F 2230a_100000737420_100000766300 [0,2,0,0,0,0|2,0,0]=4 26829 B14R1.14 COCNCCSc1ccc(cc1)Br 2230a_100000184645_100000766300 [0,2,0,0,0,0|2,0,0]=4 26830 B14R1.14 COCNCCSc1ccc(cc1)C 2230a_100000739754_100000766300 [0,2,0,0,0,0|2,0,0]=4 26831 B14R1.14 COCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000766300 [0,2,0,0,0,0|2,0,0]=4 26832 B14R1.14 COCSCCCc1ccc(cc1)Br 62a_100000766300_100011713682 [0,2,0,0,0,0|1,0,0]=3 26833 B14R1.14 COCSCCCc1ccc(cc1)Br 62a_100011713682_100000766300 [0,2,0,0,0,0|1,0,0]=3 26834 B14R1.14 COCSCCCc1ccc(cc1)Cl 62a_100000759440_100000766300 [0,2,0,0,0,0|1,0,0]=3 26835 B14R1.14 COCSCCCc1ccc(cc1)Cl 62a_100000766300_100000759440 [0,2,0,0,0,0|1,0,0]=3 26836 B14R1.14 COCSCCCc1ccc(cc1)F 62a_100000766300_200011713563 [0,2,0,0,0,0|1,0,0]=3 26837 B14R1.14 COCSCCCc1ccc(cc1)F 62a_200011713563_100000766300 [0,2,0,0,0,0|1,0,0]=3 26838 B14R1.14 COCSCCOc1ccc(cc1)Br 62a_100000183278_100000766300 [0,2,0,0,0,0|2,0,0]=4 26839 B14R1.14 COCSCCOc1ccc(cc1)Br 62a_100000766300_100000183278 [0,2,0,0,0,0|2,0,0]=4 26840 B14R1.14 COCSCCOc1ccc(cc1)C 62a_100000183172_100000766300 [0,2,0,0,0,0|2,0,0]=4 26841 B14R1.14 COCSCCOc1ccc(cc1)C 62a_100000766300_100000183172 [0,2,0,0,0,0|2,0,0]=4 26842 B14R1.14 COCSCCOc1ccc(cc1)Cl 62a_100000184122_100000766300 [0,2,0,0,0,0|2,0,0]=4 26843 B14R1.14 COCSCCOc1ccc(cc1)Cl 62a_100000766300_100000184122 [0,2,0,0,0,0|2,0,0]=4 26844 B14R1.14 COCSCCOc1ccc(cc1)F 62a_100000184936_100000766300 [0,2,0,0,0,0|2,0,0]=4 26845 B14R1.14 COCSCCOc1ccc(cc1)F 62a_100000766300_100000184936 [0,2,0,0,0,0|2,0,0]=4 26846 B14R1.14 CSCCCCOc1ccc(cc1)Br 62a_100011270094_200000210301 [0,2,0,0,0,0|1,1,0]=4 26847 B14R1.14 CSCCCCOc1ccc(cc1)Br 62a_200000210301_100011270094 [0,2,0,0,0,0|1,1,0]=4 26848 B14R1.14 CSCCCCOc1ccc(cc1)Cl 62a_100011270096_200000210301 [0,2,0,0,0,0|1,1,0]=4 26849 B14R1.14 CSCCCCOc1ccc(cc1)Cl 62a_200000210301_100011270096 [0,2,0,0,0,0|1,1,0]=4 26850 B14R1.14 CSCCCNCc1ccc(cc1)Br 207a_100000749238_100000186029 [0,2,0,0,0,0|1,1,0]=4 26851 B14R1.14 CSCCCNCc1ccc(cc1)Br 2230a_100000749238_100011217064 [0,2,0,0,0,0|1,1,0]=4 26852 B14R1.14 CSCCCNCc1ccc(cc1)Br 270004a_100000749238_100000186029 [0,2,0,0,0,0|1,1,0]=4 26853 B14R1.14 CSCCCNCc1ccc(cc1)C 207a_100000749238_100000211033 [0,2,0,0,0,0|1,1,0]=4 26854 B14R1.14 CSCCCNCc1ccc(cc1)C 2230a_100000749238_100000210814 [0,2,0,0,0,0|1,1,0]=4 26855 B14R1.14 CSCCCNCc1ccc(cc1)C 270004a_100000749238_100000211033 [0,2,0,0,0,0|1,1,0]=4 26856 B14R1.14 CSCCCNCc1ccc(cc1)Cl 207a_100000749238_100000189385 [0,2,0,0,0,0|1,1,0]=4 26857 B14R1.14 CSCCCNCc1ccc(cc1)Cl 2230a_100000749238_100000694040 [0,2,0,0,0,0|1,1,0]=4 26858 B14R1.14 CSCCCNCc1ccc(cc1)Cl 270004a_100000749238_100000189385 [0,2,0,0,0,0|1,1,0]=4 26859 B14R1.14 CSCCCNCc1ccc(cc1)F 207a_100000749238_100000210084 [0,2,0,0,0,0|1,1,0]=4 26860 B14R1.14 CSCCCNCc1ccc(cc1)F 2230a_100000749238_100000198546 [0,2,0,0,0,0|1,1,0]=4 26861 B14R1.14 CSCCCNCc1ccc(cc1)F 270004a_100000749238_100000210084 [0,2,0,0,0,0|1,1,0]=4 26862 B14R1.14 CSCCCNCc1ccc(cc1)I 207a_100000749238_100000188517 [0,2,0,0,0,0|1,1,0]=4 26863 B14R1.14 CSCCCNCc1ccc(cc1)I 2230a_100000749238_100000189116 [0,2,0,0,0,0|1,1,0]=4 26864 B14R1.14 CSCCCOCc1ccc(cc1)Br 34a_100000690336_100000189115 [0,2,0,0,0,0|1,1,0]=4 26865 B14R1.14 CSCCCOCc1ccc(cc1)Br 7a_100000690336_100011217064 [0,2,0,0,0,0|1,1,0]=4 26866 B14R1.14 CSCCCOCc1ccc(cc1)C 34a_100000690336_100000210814 [0,2,0,0,0,0|1,1,0]=4 26867 B14R1.14 CSCCCOCc1ccc(cc1)C 7a_100000690336_100000210814 [0,2,0,0,0,0|1,1,0]=4 26868 B14R1.14 CSCCCOCc1ccc(cc1)Cl 34a_100000690336_100000694040 [0,2,0,0,0,0|1,1,0]=4 26869 B14R1.14 CSCCCOCc1ccc(cc1)Cl 7a_100000690336_100000187161 [0,2,0,0,0,0|1,1,0]=4 26870 B14R1.14 CSCCCOCc1ccc(cc1)F 34a_100000690336_100000198546 [0,2,0,0,0,0|1,1,0]=4 26871 B14R1.14 CSCCCOCc1ccc(cc1)F 7a_100000690336_100000198546 [0,2,0,0,0,0|1,1,0]=4 26872 B14R1.14 CSCCCOCc1ccc(cc1)I 34a_100000690336_100000189116 [0,2,0,0,0,0|1,1,0]=4 26873 B14R1.14 CSCCCOCc1ccc(cc1)I 7a_100000690336_100000189116 [0,2,0,0,0,0|1,1,0]=4 26874 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100000755846_100000751147 [0,2,0,0,0,0|1,1,0]=4 26875 B14R1.14 CSCCNCCc1ccc(cc1)Br 2230a_100020590264_100011740612 [0,2,0,0,0,0|1,1,0]=4 26876 B14R1.14 CSCCNCCc1ccc(cc1)Br 34a_100000755846_100000212216 [0,2,0,0,0,0|1,1,0]=4 26877 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100000705350_100000751147 [0,2,0,0,0,0|1,1,0]=4 26878 B14R1.14 CSCCNCCc1ccc(cc1)C 2230a_100020590264_100011713686 [0,2,0,0,0,0|1,1,0]=4 26879 B14R1.14 CSCCNCCc1ccc(cc1)C 34a_100000705350_100000212216 [0,2,0,0,0,0|1,1,0]=4 26880 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000751147 [0,2,0,0,0,0|1,1,0]=4 26881 B14R1.14 CSCCNCCc1ccc(cc1)Cl 2230a_100020590264_100011713675 [0,2,0,0,0,0|1,1,0]=4 26882 B14R1.14 CSCCNCCc1ccc(cc1)Cl 34a_100000185265_100000212216 [0,2,0,0,0,0|1,1,0]=4 26883 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100000199005_100000751147 [0,2,0,0,0,0|1,1,0]=4 26884 B14R1.14 CSCCNCCc1ccc(cc1)F 2230a_100020590264_100011217392 [0,2,0,0,0,0|1,1,0]=4 26885 B14R1.14 CSCCNCCc1ccc(cc1)F 34a_100000199005_100000212216 [0,2,0,0,0,0|1,1,0]=4 26886 B14R1.14 CSCCNCCc1ccc(cc1)O 2230a_100020590264_100009816426 [0,2,0,0,0,0|1,1,0]=4 26887 B14R1.14 CSCCNCCc1ccc(cc1)O 34a_100000743037_100000212216 [0,2,0,0,0,0|1,1,0]=4 26888 B14R1.14 CSCCOCCc1ccc(cc1)Br 34a_100000230434_100011740612 [0,2,0,0,0,0|1,1,0]=4 26889 B14R1.14 CSCCOCCc1ccc(cc1)Br 34a_100000766406_100000212216 [0,2,0,0,0,0|1,1,0]=4 26890 B14R1.14 CSCCOCCc1ccc(cc1)Br 7a_100000230434_100011740612 [0,2,0,0,0,0|1,1,0]=4 26891 B14R1.14 CSCCOCCc1ccc(cc1)Br 7a_100000766406_100000212216 [0,2,0,0,0,0|1,1,0]=4 26892 B14R1.14 CSCCOCCc1ccc(cc1)C 34a_100000230434_100011713686 [0,2,0,0,0,0|1,1,0]=4 26893 B14R1.14 CSCCOCCc1ccc(cc1)C 34a_100000756670_100000212216 [0,2,0,0,0,0|1,1,0]=4 26894 B14R1.14 CSCCOCCc1ccc(cc1)C 7a_100000230434_100011713686 [0,2,0,0,0,0|1,1,0]=4 26895 B14R1.14 CSCCOCCc1ccc(cc1)C 7a_100000756670_100000212216 [0,2,0,0,0,0|1,1,0]=4 26896 B14R1.14 CSCCOCCc1ccc(cc1)Cl 34a_100000230434_100011713675 [0,2,0,0,0,0|1,1,0]=4 26897 B14R1.14 CSCCOCCc1ccc(cc1)Cl 34a_100011219627_100000212216 [0,2,0,0,0,0|1,1,0]=4 26898 B14R1.14 CSCCOCCc1ccc(cc1)Cl 7a_100000230434_100011713675 [0,2,0,0,0,0|1,1,0]=4 26899 B14R1.14 CSCCOCCc1ccc(cc1)Cl 7a_100011219627_100000212216 [0,2,0,0,0,0|1,1,0]=4 26900 B14R1.14 CSCCOCCc1ccc(cc1)F 34a_100000230434_100011217392 [0,2,0,0,0,0|1,1,0]=4 26901 B14R1.14 CSCCOCCc1ccc(cc1)F 34a_100000754732_100000212216 [0,2,0,0,0,0|1,1,0]=4 26902 B14R1.14 CSCCOCCc1ccc(cc1)F 7a_100000230434_100011217392 [0,2,0,0,0,0|1,1,0]=4 26903 B14R1.14 CSCCOCCc1ccc(cc1)F 7a_100000754732_100000212216 [0,2,0,0,0,0|1,1,0]=4 26904 B14R1.14 CSCCOCCc1ccc(cc1)I 34a_100012291149_100000212216 [0,2,0,0,0,0|1,1,0]=4 26905 B14R1.14 CSCCOCCc1ccc(cc1)I 7a_100012291149_100000212216 [0,2,0,0,0,0|1,1,0]=4 26906 B14R1.14 CSCCOCCc1ccc(cc1)N 34a_100011204434_100000212216 [0,2,0,0,0,0|1,1,0]=4 26907 B14R1.14 CSCCOCCc1ccc(cc1)O 7a_100000230434_100009816426 [0,2,0,0,0,0|1,1,0]=4 26908 B14R1.14 CSCCSCCc1ccc(cc1)Br 62a_100000212216_100011740612 [0,2,0,0,0,0|1,1,0]=4 26909 B14R1.14 CSCCSCCc1ccc(cc1)Br 62a_100011740612_100000751147 [0,2,0,0,0,0|1,1,0]=4 26910 B14R1.14 CSCCSCCc1ccc(cc1)C 62a_100000212216_100011713686 [0,2,0,0,0,0|1,1,0]=4 26911 B14R1.14 CSCCSCCc1ccc(cc1)C 62a_100011713686_100000751147 [0,2,0,0,0,0|1,1,0]=4 26912 B14R1.14 CSCCSCCc1ccc(cc1)Cl 62a_100000212216_100011713675 [0,2,0,0,0,0|1,1,0]=4 26913 B14R1.14 CSCCSCCc1ccc(cc1)Cl 62a_100011713675_100000751147 [0,2,0,0,0,0|1,1,0]=4 26914 B14R1.14 CSCCSCCc1ccc(cc1)F 62a_100000212216_100011217392 [0,2,0,0,0,0|1,1,0]=4 26915 B14R1.14 CSCCSCCc1ccc(cc1)F 62a_100011217392_100000751147 [0,2,0,0,0,0|1,1,0]=4 26916 B14R1.14 CSCCSCCc1ccc(cc1)O 62a_100000212216_100009816426 [0,2,0,0,0,0|1,1,0]=4 26917 B14R1.14 CSCCSCCc1ccc(cc1)O 62a_100009816426_100000751147 [0,2,0,0,0,0|1,1,0]=4 26918 B14R1.14 CSCNCCCc1ccc(cc1)Br 2230a_100011297623_100011218213 [0,2,0,0,0,0|1,1,0]=4 26919 B14R1.14 CSCNCCCc1ccc(cc1)Br 34a_100011297623_100011218213 [0,2,0,0,0,0|1,1,0]=4 26920 B14R1.14 CSCNCCCc1ccc(cc1)C 2230a_100011236272_100011218213 [0,2,0,0,0,0|1,1,0]=4 26921 B14R1.14 CSCNCCCc1ccc(cc1)C 34a_100011236272_100011218213 [0,2,0,0,0,0|1,1,0]=4 26922 B14R1.14 CSCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011218213 [0,2,0,0,0,0|1,1,0]=4 26923 B14R1.14 CSCNCCCc1ccc(cc1)Cl 34a_100000748451_100011218213 [0,2,0,0,0,0|1,1,0]=4 26924 B14R1.14 CSCNCCCc1ccc(cc1)F 2230a_100025745824_100011218213 [0,2,0,0,0,0|1,1,0]=4 26925 B14R1.14 CSCNCCCc1ccc(cc1)F 34a_100025745824_100011218213 [0,2,0,0,0,0|1,1,0]=4 26926 B14R1.14 CSCOCCCc1ccc(cc1)Br 34a_100011709247_100011218213 [0,2,0,0,0,0|1,1,0]=4 26927 B14R1.14 CSCOCCCc1ccc(cc1)C 34a_100000189427_100011218213 [0,2,0,0,0,0|1,1,0]=4 26928 B14R1.14 CSCOCCCc1ccc(cc1)Cl 34a_100011217485_100011218213 [0,2,0,0,0,0|1,1,0]=4 26929 B14R1.14 CSCOCCCc1ccc(cc1)F 34a_100000757351_100011218213 [0,2,0,0,0,0|1,1,0]=4 26930 B14R1.14 CSCSCCCc1ccc(cc1)Br 62a_100011218213_100011713682 [0,2,0,0,0,0|1,1,0]=4 26931 B14R1.14 CSCSCCCc1ccc(cc1)Br 62a_100011713682_100011218213 [0,2,0,0,0,0|1,1,0]=4 26932 B14R1.14 CSCSCCCc1ccc(cc1)Cl 62a_100000759440_100011218213 [0,2,0,0,0,0|1,1,0]=4 26933 B14R1.14 CSCSCCCc1ccc(cc1)Cl 62a_100011218213_100000759440 [0,2,0,0,0,0|1,1,0]=4 26934 B14R1.14 CSCSCCCc1ccc(cc1)F 62a_100011218213_200011713563 [0,2,0,0,0,0|1,1,0]=4 26935 B14R1.14 CSCSCCCc1ccc(cc1)F 62a_200011713563_100011218213 [0,2,0,0,0,0|1,1,0]=4 26936 B14R1.14 C[n+]1ccc(cc1)COCCCCF 34a_100009831711_100000729493 [0,2,0,0,0,0|2,0,0]=4 26937 B14R1.14 C[n+]1ccc(cc1)COCCCCO 34a_100009831711_100011216708 [0,2,0,0,0,0|1,0,0]=3 26938 B14R1.14 Cc1ccc(cc1)C#CCOCCO 34a_100000696136_100000211926 [0,2,0,0,0,0|0,0,2]=4 26939 B14R1.14 Cc1ccc(cc1)C#CCOCCO 7a_100000696136_100000211926 [0,2,0,0,0,0|0,0,2]=4 26940 B14R1.14 Cc1ccc(cc1)C=CCNCCO 270004a_100000210304_100016257026 [0,2,0,0,0,0|0,0,2]=4 26941 B14R1.14 Cc1ccc(cc1)CC=NNCCO 4a_100000210001_100011361684 [0,2,0,0,0,0|1,0,1]=4 26942 B14R1.14 Cc1ccc(cc1)CCCNCC#N 2230a_100011236272_100011215382 [0,2,0,0,0,0|1,0,1]=4 26943 B14R1.14 Cc1ccc(cc1)CCCNCC=O 2230a_100011236272_200015260668 [0,2,0,0,0,0|0,0,2]=4 26944 B14R1.14 Cc1ccc(cc1)CCCNCC=O 34a_100011236272_200009817547 [0,2,0,0,0,0|0,0,2]=4 26945 B14R1.14 Cc1ccc(cc1)CCCNCCF 2230a_100011236272_100011217306 [0,2,0,0,0,0|1,0,0]=3 26946 B14R1.14 Cc1ccc(cc1)CCCNCCF 34a_100011236272_100011217306 [0,2,0,0,0,0|1,0,0]=3 26947 B14R1.14 Cc1ccc(cc1)CCCNCCO 2230a_100011236272_100000211926 [0,2,0,0,0,0|0,0,0]=2 26948 B14R1.14 Cc1ccc(cc1)CCCNCCO 34a_100011236272_100000211926 [0,2,0,0,0,0|0,0,0]=2 26949 B14R1.14 Cc1ccc(cc1)CCCOCC#N 7a_100000189427_100011215382 [0,2,0,0,0,0|1,0,1]=4 26950 B14R1.14 Cc1ccc(cc1)CCCOCC=O 34a_100000189427_200009817547 [0,2,0,0,0,0|0,0,2]=4 26951 B14R1.14 Cc1ccc(cc1)CCCOCC=O 7a_100000189427_200015260668 [0,2,0,0,0,0|0,0,2]=4 26952 B14R1.14 Cc1ccc(cc1)CCCOCCF 34a_100000189427_100011217306 [0,2,0,0,0,0|1,0,0]=3 26953 B14R1.14 Cc1ccc(cc1)CCCOCCF 7a_100000189427_100011217306 [0,2,0,0,0,0|1,0,0]=3 26954 B14R1.14 Cc1ccc(cc1)CCCOCCO 34a_100000189427_100000211926 [0,2,0,0,0,0|0,0,0]=2 26955 B14R1.14 Cc1ccc(cc1)CCCOCCO 7a_100000189427_100000211926 [0,2,0,0,0,0|0,0,0]=2 26956 B14R1.14 Cc1ccc(cc1)CCNCCC#N 2230a_100000705350_100011215226 [0,2,0,0,0,0|1,0,1]=4 26957 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100000705350_100011934791 [0,2,0,0,0,0|1,0,0]=3 26958 B14R1.14 Cc1ccc(cc1)CCNCCCF 2230a_100015189416_100011713686 [0,2,0,0,0,0|1,0,0]=3 26959 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100000705350_100011934791 [0,2,0,0,0,0|1,0,0]=3 26960 B14R1.14 Cc1ccc(cc1)CCNCCCF 34a_100015189416_100011713686 [0,2,0,0,0,0|1,0,0]=3 26961 B14R1.14 Cc1ccc(cc1)CCNCCCO 2230a_100000705350_100000230001 [0,2,0,0,0,0|0,0,0]=2 26962 B14R1.14 Cc1ccc(cc1)CCNCCCO 34a_100000705350_100000230001 [0,2,0,0,0,0|0,0,0]=2 26963 B14R1.14 Cc1ccc(cc1)CCOCCC#N 7a_100000756670_100000184422 [0,2,0,0,0,0|1,0,1]=4 26964 B14R1.14 Cc1ccc(cc1)CCOCCCBr 34a_100011217188_100011713686 [0,2,0,0,0,0|1,0,0]=3 26965 B14R1.14 Cc1ccc(cc1)CCOCCCCl 34a_100000230001_100011713686 [0,2,0,0,0,0|1,0,0]=3 26966 B14R1.14 Cc1ccc(cc1)CCOCCCF 34a_100000756670_100011934791 [0,2,0,0,0,0|1,0,0]=3 26967 B14R1.14 Cc1ccc(cc1)CCOCCCF 34a_100000759539_100011713686 [0,2,0,0,0,0|1,0,0]=3 26968 B14R1.14 Cc1ccc(cc1)CCOCCCF 7a_100000756670_100011934791 [0,2,0,0,0,0|1,0,0]=3 26969 B14R1.14 Cc1ccc(cc1)CCOCCCN 34a_100000182051_100011713686 [0,2,0,0,0,0|1,0,0]=3 26970 B14R1.14 Cc1ccc(cc1)CCOCCCO 34a_100000756670_100000230001 [0,2,0,0,0,0|0,0,0]=2 26971 B14R1.14 Cc1ccc(cc1)CCOCCCO 7a_100000756670_100011215043 [0,2,0,0,0,0|0,0,0]=2 26972 B14R1.14 Cc1ccc(cc1)CCOCCON 34a_100000700252_100011713686 [0,2,0,0,0,0|1,0,0]=3 26973 B14R1.14 Cc1ccc(cc1)CCSCCC#N 62a_100011215226_100011713686 [0,2,0,0,0,0|1,0,1]=4 26974 B14R1.14 Cc1ccc(cc1)CCSCCC#N 62a_100011713686_100011215226 [0,2,0,0,0,0|1,0,1]=4 26975 B14R1.14 Cc1ccc(cc1)CCSCCCF 62a_100011713686_100011934791 [0,2,0,0,0,0|1,0,0]=3 26976 B14R1.14 Cc1ccc(cc1)CCSCCCF 62a_100011934791_100011713686 [0,2,0,0,0,0|1,0,0]=3 26977 B14R1.14 Cc1ccc(cc1)CCSCCCO 62a_100011215043_100011713686 [0,2,0,0,0,0|0,0,0]=2 26978 B14R1.14 Cc1ccc(cc1)CCSCCCO 62a_100011713686_100011215043 [0,2,0,0,0,0|0,0,0]=2 26979 B14R1.14 Cc1ccc(cc1)CNCC#CCO 2230a_100000174908_200000047223 [0,2,0,0,0,0|0,0,2]=4 26980 B14R1.14 Cc1ccc(cc1)CNCC#CCO 34a_100000174908_200000047223 [0,2,0,0,0,0|0,0,2]=4 26981 B14R1.14 Cc1ccc(cc1)CNCCCC#N 2230a_100000174908_100000687738 [0,2,0,0,0,0|1,0,1]=4 26982 B14R1.14 Cc1ccc(cc1)CNCCCC=O 2230a_100000174908_200011292268 [0,2,0,0,0,0|0,0,2]=4 26983 B14R1.14 Cc1ccc(cc1)CNCCCCF 2230a_100000174908_100000729493 [0,2,0,0,0,0|1,0,0]=3 26984 B14R1.14 Cc1ccc(cc1)CNCCCCF 34a_100000174908_100000729493 [0,2,0,0,0,0|1,0,0]=3 26985 B14R1.14 Cc1ccc(cc1)CNCCCCO 207a_100000750430_100000211033 [0,2,0,0,0,0|0,0,0]=2 26986 B14R1.14 Cc1ccc(cc1)CNCCCCO 2230a_100000174908_100000210776 [0,2,0,0,0,0|0,0,0]=2 26987 B14R1.14 Cc1ccc(cc1)CNCCCCO 2230a_100000750430_100000210814 [0,2,0,0,0,0|0,0,0]=2 26988 B14R1.14 Cc1ccc(cc1)CNCCCCO 270004a_100000750430_100000211033 [0,2,0,0,0,0|0,0,0]=2 26989 B14R1.14 Cc1ccc(cc1)CNCCCCO 34a_100000174908_100011216708 [0,2,0,0,0,0|0,0,0]=2 26990 B14R1.14 Cc1ccc(cc1)CNCCCCO 34a_100000750430_100000210814 [0,2,0,0,0,0|0,0,0]=2 26991 B14R1.14 Cc1ccc(cc1)CNCCCO[13CH3] 34a_100015185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 26992 B14R1.14 Cc1ccc(cc1)CNCCOCF 34a_100000186992_100015361967 [0,2,0,0,0,0|2,0,0]=4 26993 B14R1.14 Cc1ccc(cc1)COCC#CCO 34a_100011215236_200000047223 [0,2,0,0,0,0|0,0,2]=4 26994 B14R1.14 Cc1ccc(cc1)COCC#CCO 7a_100011215236_200000047223 [0,2,0,0,0,0|0,0,2]=4 26995 B14R1.14 Cc1ccc(cc1)COCCCC#N 7a_100011215236_100000687738 [0,2,0,0,0,0|1,0,1]=4 26996 B14R1.14 Cc1ccc(cc1)COCCCC=O 7a_100011215236_200011292268 [0,2,0,0,0,0|0,0,2]=4 26997 B14R1.14 Cc1ccc(cc1)COCCCCBr 34a_100011216708_100000210814 [0,2,0,0,0,0|1,0,0]=3 26998 B14R1.14 Cc1ccc(cc1)COCCCCCl 34a_100000210776_100000210814 [0,2,0,0,0,0|1,0,0]=3 26999 B14R1.14 Cc1ccc(cc1)COCCCCCl 7a_100000210776_100000210814 [0,2,0,0,0,0|1,0,0]=3 27000 B14R1.14 Cc1ccc(cc1)COCCCCF 34a_100011215236_100000729493 [0,2,0,0,0,0|1,0,0]=3 27001 B14R1.14 Cc1ccc(cc1)COCCCCF 34a_100011995726_100000210814 [0,2,0,0,0,0|1,0,0]=3 27002 B14R1.14 Cc1ccc(cc1)COCCCCF 7a_100011215236_100000729493 [0,2,0,0,0,0|1,0,0]=3 27003 B14R1.14 Cc1ccc(cc1)COCCCCF 7a_100011995726_100000210814 [0,2,0,0,0,0|1,0,0]=3 27004 B14R1.14 Cc1ccc(cc1)COCCCCI 34a_200012148704_100000210814 [0,2,0,0,0,0|1,0,0]=3 27005 B14R1.14 Cc1ccc(cc1)COCCCCN 34a_100000750430_100000210814 [0,2,0,0,0,0|1,0,0]=3 27006 B14R1.14 Cc1ccc(cc1)COCCCCO 34a_100011215236_100011216708 [0,2,0,0,0,0|0,0,0]=2 27007 B14R1.14 Cc1ccc(cc1)COCCCCO 7a_100011215236_100000210776 [0,2,0,0,0,0|0,0,0]=2 27008 B14R1.14 Cc1ccc(cc1)CSCC#CCO 62a_100000210814_200000047223 [0,2,0,0,0,0|0,0,2]=4 27009 B14R1.14 Cc1ccc(cc1)CSCC#CCO 62a_200000047223_100000210814 [0,2,0,0,0,0|0,0,2]=4 27010 B14R1.14 Cc1ccc(cc1)CSCCCC#N 62a_100000210814_100000687738 [0,2,0,0,0,0|1,0,1]=4 27011 B14R1.14 Cc1ccc(cc1)CSCCCC#N 62a_100000687738_100000210814 [0,2,0,0,0,0|1,0,1]=4 27012 B14R1.14 Cc1ccc(cc1)CSCCCC=O 62a_100000210814_200011292268 [0,2,0,0,0,0|0,0,2]=4 27013 B14R1.14 Cc1ccc(cc1)CSCCCC=O 62a_200011292268_100000210814 [0,2,0,0,0,0|0,0,2]=4 27014 B14R1.14 Cc1ccc(cc1)CSCCCCF 62a_100000210814_100000729493 [0,2,0,0,0,0|1,0,0]=3 27015 B14R1.14 Cc1ccc(cc1)CSCCCCF 62a_100000729493_100000210814 [0,2,0,0,0,0|1,0,0]=3 27016 B14R1.14 Cc1ccc(cc1)CSCCCCO 62a_100000210776_100000210814 [0,2,0,0,0,0|0,0,0]=2 27017 B14R1.14 Cc1ccc(cc1)CSCCCCO 62a_100000210814_100000210776 [0,2,0,0,0,0|0,0,0]=2 27018 B14R1.14 Cc1ccc(cc1)CSCCOCF 34a_100011212911_100015361967 [0,2,0,0,0,0|2,0,0]=4 27019 B14R1.14 Cc1ccc(cc1)CSCCOCF 7a_100011212911_100015361967 [0,2,0,0,0,0|2,0,0]=4 27020 B14R1.14 Cc1ccc(cc1)NCCCCCF 34a_100000124888_100000729378 [0,2,0,0,0,0|1,0,0]=3 27021 B14R1.14 Cc1ccc(cc1)NCCCCCO 34a_100000124888_100000746330 [0,2,0,0,0,0|0,0,0]=2 27022 B14R1.14 Cc1ccc(cc1)NCCOCCO 34a_100000124888_100000692535 [0,2,0,0,0,0|1,0,0]=3 27023 B14R1.14 Cc1ccc(cc1)OCCCCC#N 7a_100000210336_100000211819 [0,2,0,0,0,0|1,0,1]=4 27024 B14R1.14 Cc1ccc(cc1)OCCCCC=O 7a_100000210336_100000139335 [0,2,0,0,0,0|0,0,2]=4 27025 B14R1.14 Cc1ccc(cc1)OCCCCCF 34a_100000210336_100000729378 [0,2,0,0,0,0|1,0,0]=3 27026 B14R1.14 Cc1ccc(cc1)OCCCCCF 7a_100000210336_100000729378 [0,2,0,0,0,0|1,0,0]=3 27027 B14R1.14 Cc1ccc(cc1)OCCCCCO 34a_100000210336_100000746330 [0,2,0,0,0,0|0,0,0]=2 27028 B14R1.14 Cc1ccc(cc1)OCCCCCO 7a_100000210336_100000746330 [0,2,0,0,0,0|0,0,0]=2 27029 B14R1.14 Cc1ccc(cc1)OCCCNCF 34a_100000747266_100015361967 [0,2,0,0,0,0|2,0,0]=4 27030 B14R1.14 Cc1ccc(cc1)OCCNCCF 2230a_100020666663_100011217306 [0,2,0,0,0,0|2,0,0]=4 27031 B14R1.14 Cc1ccc(cc1)OCCNCCF 34a_100000724931_100000183172 [0,2,0,0,0,0|2,0,0]=4 27032 B14R1.14 Cc1ccc(cc1)OCCNCCF 34a_100020666663_100011217306 [0,2,0,0,0,0|2,0,0]=4 27033 B14R1.14 Cc1ccc(cc1)OCCNCCO 2230a_100016997473_100000183172 [0,2,0,0,0,0|1,0,0]=3 27034 B14R1.14 Cc1ccc(cc1)OCCNCCO 2230a_100020666663_100000211926 [0,2,0,0,0,0|1,0,0]=3 27035 B14R1.14 Cc1ccc(cc1)OCCNCCO 34a_100016990907_100000183172 [0,2,0,0,0,0|1,0,0]=3 27036 B14R1.14 Cc1ccc(cc1)OCCNCCO 34a_100020666663_100000211926 [0,2,0,0,0,0|1,0,0]=3 27037 B14R1.14 Cc1ccc(cc1)OCCOCCBr 34a_100000211926_100000183172 [0,2,0,0,0,0|2,0,0]=4 27038 B14R1.14 Cc1ccc(cc1)OCCOCCF 34a_100011219107_100011217306 [0,2,0,0,0,0|2,0,0]=4 27039 B14R1.14 Cc1ccc(cc1)OCCOCCF 7a_100011219107_100011217306 [0,2,0,0,0,0|2,0,0]=4 27040 B14R1.14 Cc1ccc(cc1)OCCOCCN 34a_100000210304_100000183172 [0,2,0,0,0,0|2,0,0]=4 27041 B14R1.14 Cc1ccc(cc1)OCCOCCO 34a_100000210336_100000692535 [0,2,0,0,0,0|1,0,0]=3 27042 B14R1.14 Cc1ccc(cc1)OCCOCCO 34a_100011219107_100000211926 [0,2,0,0,0,0|1,0,0]=3 27043 B14R1.14 Cc1ccc(cc1)OCCOCCO 7a_100000210336_100011215305 [0,2,0,0,0,0|1,0,0]=3 27044 B14R1.14 Cc1ccc(cc1)OCCOCCO 7a_100011219107_100000211926 [0,2,0,0,0,0|1,0,0]=3 27045 B14R1.14 Cc1ccc(cc1)OCCSCCF 62a_100000183172_100011217306 [0,2,0,0,0,0|2,0,0]=4 27046 B14R1.14 Cc1ccc(cc1)OCCSCCF 62a_100011217306_100000183172 [0,2,0,0,0,0|2,0,0]=4 27047 B14R1.14 Cc1ccc(cc1)OCCSCCO 62a_100000183172_100000211926 [0,2,0,0,0,0|1,0,0]=3 27048 B14R1.14 Cc1ccc(cc1)OCCSCCO 62a_100000211926_100000183172 [0,2,0,0,0,0|1,0,0]=3 27049 B14R1.14 Cc1ccc(cc1)SCCCCC#N 62a_100000186775_100000211819 [0,2,0,0,0,0|1,0,1]=4 27050 B14R1.14 Cc1ccc(cc1)SCCCCC#N 62a_100011219923_100000186775 [0,2,0,0,0,0|1,0,1]=4 27051 B14R1.14 Cc1ccc(cc1)SCCCCC=O 62a_100000139335_100000186775 [0,2,0,0,0,0|0,0,2]=4 27052 B14R1.14 Cc1ccc(cc1)SCCCCC=O 62a_100000186775_100000139335 [0,2,0,0,0,0|0,0,2]=4 27053 B14R1.14 Cc1ccc(cc1)SCCCCCF 62a_100000186775_100000729378 [0,2,0,0,0,0|1,0,0]=3 27054 B14R1.14 Cc1ccc(cc1)SCCCCCF 62a_100000729378_100000186775 [0,2,0,0,0,0|1,0,0]=3 27055 B14R1.14 Cc1ccc(cc1)SCCCCCO 62a_100000186775_100000746330 [0,2,0,0,0,0|0,0,0]=2 27056 B14R1.14 Cc1ccc(cc1)SCCCCCO 62a_100000746330_100000186775 [0,2,0,0,0,0|0,0,0]=2 27057 B14R1.14 Cc1ccc(cc1)SCCNCCF 2230a_100000739754_100011217306 [0,2,0,0,0,0|2,0,0]=4 27058 B14R1.14 Cc1ccc(cc1)SCCNCCO 2230a_100000739754_100000211926 [0,2,0,0,0,0|1,0,0]=3 27059 B14R1.14 Cc1ccc(cc1)SCCOCCF 34a_200000230582_100011217306 [0,2,0,0,0,0|2,0,0]=4 27060 B14R1.14 Cc1ccc(cc1)SCCOCCF 7a_200000230582_100011217306 [0,2,0,0,0,0|2,0,0]=4 27061 B14R1.14 Cc1ccc(cc1)SCCOCCO 34a_200000230582_100000211926 [0,2,0,0,0,0|1,0,0]=3 27062 B14R1.14 Cc1ccc(cc1)SCCOCCO 62a_100000186775_100011215305 [0,2,0,0,0,0|1,0,0]=3 27063 B14R1.14 Cc1ccc(cc1)SCCOCCO 62a_100011215305_100000186775 [0,2,0,0,0,0|1,0,0]=3 27064 B14R1.14 Cc1ccc(cc1)SCCOCCO 7a_200000230582_100000211926 [0,2,0,0,0,0|1,0,0]=3 27065 B14R1.14 Cc1ccc(cn1)CCOCCCF 34a_100011815783_100011934791 [0,2,0,0,0,0|2,0,0]=4 27066 B14R1.14 Cc1ccc(cn1)CCOCCCO 34a_100011815783_100000230001 [0,2,0,0,0,0|1,0,0]=3 27067 B14R1.14 Cc1ccc(cn1)CNCCCCF 34a_100000740942_100000729493 [0,2,0,0,0,0|2,0,0]=4 27068 B14R1.14 Cc1ccc(cn1)CNCCCCO 2230a_100000750430_100016987292 [0,2,0,0,0,0|1,0,0]=3 27069 B14R1.14 Cc1ccc(cn1)CNCCCCO 270004a_100000750430_100000743784 [0,2,0,0,0,0|1,0,0]=3 27070 B14R1.14 Cc1ccc(cn1)CNCCCCO 34a_100000740942_100011216708 [0,2,0,0,0,0|1,0,0]=3 27071 B14R1.14 Cc1ccc(cn1)CNCCCCO 34a_100000750430_100016987292 [0,2,0,0,0,0|1,0,0]=3 27072 B14R1.14 Cc1ccc(cn1)COCCCCBr 34a_100011216708_100016987292 [0,2,0,0,0,0|2,0,0]=4 27073 B14R1.14 Cc1ccc(cn1)COCCCCCl 34a_100000210776_100016987292 [0,2,0,0,0,0|2,0,0]=4 27074 B14R1.14 Cc1ccc(cn1)COCCCCCl 7a_100000210776_100016987292 [0,2,0,0,0,0|2,0,0]=4 27075 B14R1.14 Cc1ccc(cn1)COCCCCF 34a_100011248133_100000729493 [0,2,0,0,0,0|2,0,0]=4 27076 B14R1.14 Cc1ccc(cn1)COCCCCF 34a_100011995726_100016987292 [0,2,0,0,0,0|2,0,0]=4 27077 B14R1.14 Cc1ccc(cn1)COCCCCF 7a_100011995726_100016987292 [0,2,0,0,0,0|2,0,0]=4 27078 B14R1.14 Cc1ccc(cn1)COCCCCI 34a_200012148704_100016987292 [0,2,0,0,0,0|2,0,0]=4 27079 B14R1.14 Cc1ccc(cn1)COCCCCN 34a_100000750430_100016987292 [0,2,0,0,0,0|2,0,0]=4 27080 B14R1.14 Cc1ccc(cn1)COCCCCO 34a_100011248133_100011216708 [0,2,0,0,0,0|1,0,0]=3 27081 B14R1.14 Cc1ccc(cn1)CSCCCCF 62a_100000729493_100016987292 [0,2,0,0,0,0|2,0,0]=4 27082 B14R1.14 Cc1ccc(cn1)CSCCCCF 62a_100016987292_100000729493 [0,2,0,0,0,0|2,0,0]=4 27083 B14R1.14 Cc1ccc(cn1)CSCCCCO 62a_100000210776_100016987292 [0,2,0,0,0,0|1,0,0]=3 27084 B14R1.14 Cc1ccc(cn1)CSCCCCO 62a_100016987292_100000210776 [0,2,0,0,0,0|1,0,0]=3 27085 B14R1.14 Cc1ccc(cn1)OCCCCCF 34a_100000745506_100000729378 [0,2,0,0,0,0|2,0,0]=4 27086 B14R1.14 Cc1ccc(cn1)OCCCCCF 7a_100000745506_100000729378 [0,2,0,0,0,0|2,0,0]=4 27087 B14R1.14 Cc1ccc(cn1)OCCCCCO 34a_100000745506_100000746330 [0,2,0,0,0,0|1,0,0]=3 27088 B14R1.14 Cc1ccc(cn1)OCCCCCO 7a_100000745506_100000746330 [0,2,0,0,0,0|1,0,0]=3 27089 B14R1.14 Cc1ccc(cn1)OCCOCCO 34a_100000745506_100000692535 [0,2,0,0,0,0|2,0,0]=4 27090 B14R1.14 Cc1ccc(cn1)OCCOCCO 7a_100000745506_100011215305 [0,2,0,0,0,0|2,0,0]=4 27091 B14R1.14 Cc1ccc(cn1)SCCCCCF 62a_100000729378_100000751577 [0,2,0,0,0,0|2,0,0]=4 27092 B14R1.14 Cc1ccc(cn1)SCCCCCF 62a_100000751577_100000729378 [0,2,0,0,0,0|2,0,0]=4 27093 B14R1.14 Cc1ccc(cn1)SCCCCCO 62a_100000746330_100000751577 [0,2,0,0,0,0|1,0,0]=3 27094 B14R1.14 Cc1ccc(cn1)SCCCCCO 62a_100000751577_100000746330 [0,2,0,0,0,0|1,0,0]=3 27095 B14R1.14 Cc1ccc(cn1)SCCOCCO 62a_100000751577_100011215305 [0,2,0,0,0,0|2,0,0]=4 27096 B14R1.14 Cc1ccc(cn1)SCCOCCO 62a_100011215305_100000751577 [0,2,0,0,0,0|2,0,0]=4 27097 B14R1.14 Cc1ccc(nc1)CNCCCCF 34a_100015187455_100000729493 [0,2,0,0,0,0|2,0,0]=4 27098 B14R1.14 Cc1ccc(nc1)CNCCCCO 207a_100000750430_100000050478 [0,2,0,0,0,0|1,0,0]=3 27099 B14R1.14 Cc1ccc(nc1)CNCCCCO 2230a_100000750430_100000691093 [0,2,0,0,0,0|1,0,0]=3 27100 B14R1.14 Cc1ccc(nc1)CNCCCCO 270004a_100000750430_100000050478 [0,2,0,0,0,0|1,0,0]=3 27101 B14R1.14 Cc1ccc(nc1)CNCCCCO 34a_100000750430_100000691093 [0,2,0,0,0,0|1,0,0]=3 27102 B14R1.14 Cc1ccc(nc1)CNCCCCO 34a_100015187455_100011216708 [0,2,0,0,0,0|1,0,0]=3 27103 B14R1.14 Cc1ccc(nc1)COCCCCBr 34a_100011216708_100000691093 [0,2,0,0,0,0|2,0,0]=4 27104 B14R1.14 Cc1ccc(nc1)COCCCCCl 34a_100000210776_100000691093 [0,2,0,0,0,0|2,0,0]=4 27105 B14R1.14 Cc1ccc(nc1)COCCCCCl 7a_100000210776_100000691093 [0,2,0,0,0,0|2,0,0]=4 27106 B14R1.14 Cc1ccc(nc1)COCCCCF 34a_100011995726_100000691093 [0,2,0,0,0,0|2,0,0]=4 27107 B14R1.14 Cc1ccc(nc1)COCCCCF 34a_100012001401_100000729493 [0,2,0,0,0,0|2,0,0]=4 27108 B14R1.14 Cc1ccc(nc1)COCCCCF 7a_100011995726_100000691093 [0,2,0,0,0,0|2,0,0]=4 27109 B14R1.14 Cc1ccc(nc1)COCCCCI 34a_200012148704_100000691093 [0,2,0,0,0,0|2,0,0]=4 27110 B14R1.14 Cc1ccc(nc1)COCCCCN 34a_100000750430_100000691093 [0,2,0,0,0,0|2,0,0]=4 27111 B14R1.14 Cc1ccc(nc1)COCCCCO 34a_100012001401_100011216708 [0,2,0,0,0,0|1,0,0]=3 27112 B14R1.14 Cc1ccc(nc1)CSCCCCF 62a_100000691093_100000729493 [0,2,0,0,0,0|2,0,0]=4 27113 B14R1.14 Cc1ccc(nc1)CSCCCCF 62a_100000729493_100000691093 [0,2,0,0,0,0|2,0,0]=4 27114 B14R1.14 Cc1ccc(nc1)CSCCCCO 62a_100000210776_100000691093 [0,2,0,0,0,0|1,0,0]=3 27115 B14R1.14 Cc1ccc(nc1)CSCCCCO 62a_100000691093_100000210776 [0,2,0,0,0,0|1,0,0]=3 27116 B14R1.14 Cc1ccc(nc1)OCCCCCF 34a_100000759353_100000729378 [0,2,0,0,0,0|2,0,0]=4 27117 B14R1.14 Cc1ccc(nc1)OCCCCCO 34a_100000759353_100000746330 [0,2,0,0,0,0|1,0,0]=3 27118 B14R1.14 Cc1ccc(nc1)OCCOCCO 34a_100000759353_100000692535 [0,2,0,0,0,0|2,0,0]=4 27119 B14R1.14 Cc1ccc(nc1)SCCCCCF 62a_100000729378_100000754016 [0,2,0,0,0,0|2,0,0]=4 27120 B14R1.14 Cc1ccc(nc1)SCCCCCF 62a_100011192072_100000729378 [0,2,0,0,0,0|2,0,0]=4 27121 B14R1.14 Cc1ccc(nc1)SCCCCCO 62a_100000746330_100000754016 [0,2,0,0,0,0|1,0,0]=3 27122 B14R1.14 Cc1ccc(nc1)SCCCCCO 62a_100011192072_100000746330 [0,2,0,0,0,0|1,0,0]=3 27123 B14R1.14 Cc1ccc(nc1)SCCOCCO 62a_100011192072_100011215305 [0,2,0,0,0,0|2,0,0]=4 27124 B14R1.14 Cc1ccc(nc1)SCCOCCO 62a_100011215305_100000754016 [0,2,0,0,0,0|2,0,0]=4 27125 B14R1.14 Cc1ccc(nn1)NCCCCCO 27a_100000762737_100000744512 [0,2,0,0,0,0|2,0,0]=4 27126 B14R1.14 Cc1ccc(nn1)SCCCCCO 62a_100000744512_100000746330 [0,2,0,0,0,0|2,0,0]=4 27127 B14R1.14 Cc1ccc(nn1)SCCCCCO 62a_100000746330_100000744512 [0,2,0,0,0,0|2,0,0]=4 27128 B14R1.14 Cc1cnc(cn1)CNCCCCO 2230a_100000750430_100000752025 [0,2,0,0,0,0|2,0,0]=4 27129 B14R1.14 Cc1cnc(cn1)CNCCCCO 270004a_100000750430_100000685221 [0,2,0,0,0,0|2,0,0]=4 27130 B14R1.14 Cc1cnc(cn1)CNCCCCO 34a_100132314150_100011216708 [0,2,0,0,0,0|2,0,0]=4 27131 B14R1.14 Cc1cnc(cn1)COCCCCO 34a_100011273949_100011216708 [0,2,0,0,0,0|2,0,0]=4 27132 B14R1.14 Cc1cnc(cn1)CSCCCCO 62a_100000210776_100000752025 [0,2,0,0,0,0|2,0,0]=4 27133 B14R1.14 Cc1cnc(cn1)CSCCCCO 62a_100000752025_100000210776 [0,2,0,0,0,0|2,0,0]=4 27134 B14R1.14 Cc1cnc(cn1)NCCCCCO 27a_100000762737_100000074397 [0,2,0,0,0,0|2,0,0]=4 27135 B14R1.14 Cc1cnc(cn1)SCCCCCO 62a_100000746330_100011999403 [0,2,0,0,0,0|2,0,0]=4 27136 B14R1.14 Cc1cnc(cn1)SCCCCCO 62a_100011999403_100000746330 [0,2,0,0,0,0|2,0,0]=4 27137 B14R1.14 Cc1cnc(nc1)CNCCCCO 2230a_100000750430_100000685645 [0,2,0,0,0,0|2,0,0]=4 27138 B14R1.14 Cc1cnc(nc1)CNCCCCO 34a_100000750430_100000685645 [0,2,0,0,0,0|2,0,0]=4 27139 B14R1.14 Cc1cnc(nc1)CSCCCCO 62a_100000210776_100000685645 [0,2,0,0,0,0|2,0,0]=4 27140 B14R1.14 Cc1cnc(nc1)CSCCCCO 62a_100000685645_100000210776 [0,2,0,0,0,0|2,0,0]=4 27141 B14R1.14 Cc1cnc(nc1)NCCCCCO 27a_100000762737_100000061069 [0,2,0,0,0,0|2,0,0]=4 27142 B14R1.14 Cc1cnc(nc1)SCCCCCO 62a_100000061069_100000746330 [0,2,0,0,0,0|2,0,0]=4 27143 B14R1.14 Cc1cnc(nc1)SCCCCCO 62a_100000746330_100000061069 [0,2,0,0,0,0|2,0,0]=4 27144 B14R1.14 Cc1ncc(cn1)CNCCCCO 270004a_100000750430_100011202771 [0,2,0,0,0,0|2,0,0]=4 27145 B14R1.14 Cc1ncc(cn1)COCCCCO 34a_100011746891_100011216708 [0,2,0,0,0,0|2,0,0]=4 27146 B14R1.14 Cc1ncc(cn1)OCCCCCO 34a_100000062939_100000746330 [0,2,0,0,0,0|2,0,0]=4 27147 B14R1.14 Cc1ncc(cn1)OCCCCCO 7a_100000062939_100000746330 [0,2,0,0,0,0|2,0,0]=4 27148 B14R1.14 Cc1ncc(cn1)SCCCCCO 62a_100000686985_100000746330 [0,2,0,0,0,0|2,0,0]=4 27149 B14R1.14 Cc1ncc(cn1)SCCCCCO 62a_100000746330_100000686985 [0,2,0,0,0,0|2,0,0]=4 27150 B14R1.14 ClCCCCOCc1ccc(cc1)Br 34a_100000210776_100000189115 [0,2,0,0,0,0|1,0,0]=3 27151 B14R1.14 ClCCCCOCc1ccc(cc1)Br 7a_100000210776_100011217064 [0,2,0,0,0,0|1,0,0]=3 27152 B14R1.14 ClCCCCOCc1ccc(cc1)Cl 34a_100000210776_100000694040 [0,2,0,0,0,0|1,0,0]=3 27153 B14R1.14 ClCCCCOCc1ccc(cc1)Cl 7a_100000210776_100000187161 [0,2,0,0,0,0|1,0,0]=3 27154 B14R1.14 ClCCCCOCc1ccc(cc1)I 34a_100000210776_100000189116 [0,2,0,0,0,0|1,0,0]=3 27155 B14R1.14 ClCCCCOCc1ccc(cc1)I 7a_100000210776_100000189116 [0,2,0,0,0,0|1,0,0]=3 27156 B14R1.14 ClCCCCOCc1ccc(cn1)Br 34a_100000210776_100000702658 [0,2,0,0,0,0|2,0,0]=4 27157 B14R1.14 ClCCCCOCc1ccc(cn1)Br 7a_100000210776_100000702658 [0,2,0,0,0,0|2,0,0]=4 27158 B14R1.14 ClCCCCOCc1ccc(cn1)Cl 34a_100000210776_100012066911 [0,2,0,0,0,0|2,0,0]=4 27159 B14R1.14 ClCCCCOCc1ccc(cn1)Cl 7a_100000210776_100012066911 [0,2,0,0,0,0|2,0,0]=4 27160 B14R1.14 ClCCCCOCc1ccc(nc1)Br 34a_100000210776_100009831999 [0,2,0,0,0,0|2,0,0]=4 27161 B14R1.14 ClCCCCOCc1ccc(nc1)Br 7a_100000210776_100009831999 [0,2,0,0,0,0|2,0,0]=4 27162 B14R1.14 ClCCCCOCc1ccc(nc1)Cl 34a_100000210776_100000735431 [0,2,0,0,0,0|2,0,0]=4 27163 B14R1.14 ClCCCCOCc1ccc(nc1)Cl 7a_100000210776_100000735431 [0,2,0,0,0,0|2,0,0]=4 27164 B14R1.14 ClCCCOCCc1ccc(cc1)Br 34a_100000230001_100011740612 [0,2,0,0,0,0|1,0,0]=3 27165 B14R1.14 ClCCCOCCc1ccc(cc1)Cl 34a_100000230001_100011713675 [0,2,0,0,0,0|1,0,0]=3 27166 B14R1.14 Clc1ccc(cc1)CCCOCCBr 34a_100000211926_100000759440 [0,2,0,0,0,0|1,0,0]=3 27167 B14R1.14 Clc1ccc(cc1)CCOCCCBr 34a_100011217188_100011713675 [0,2,0,0,0,0|1,0,0]=3 27168 B14R1.14 Clc1ccc(cc1)COCCCCBr 34a_100011216708_100000694040 [0,2,0,0,0,0|1,0,0]=3 27169 B14R1.14 Clc1ccc(cc1)COCCCCI 34a_200012148704_100000694040 [0,2,0,0,0,0|1,0,0]=3 27170 B14R1.14 Clc1ccc(cc1)OCCOCCBr 34a_100000211926_100000184122 [0,2,0,0,0,0|2,0,0]=4 27171 B14R1.14 Clc1ccc(cn1)COCCCCBr 34a_100011216708_100000735431 [0,2,0,0,0,0|2,0,0]=4 27172 B14R1.14 Clc1ccc(cn1)COCCCCI 34a_200012148704_100000735431 [0,2,0,0,0,0|2,0,0]=4 27173 B14R1.14 Clc1ccc(nc1)COCCCCBr 34a_100011216708_100012066911 [0,2,0,0,0,0|2,0,0]=4 27174 B14R1.14 Clc1ccc(nc1)COCCCCI 34a_200012148704_100012066911 [0,2,0,0,0,0|2,0,0]=4 27175 B14R1.14 FCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000729378 [0,2,0,0,0,0|1,0,0]=3 27176 B14R1.14 FCCCCCNc1ccc(cc1)Br 34a_100000210018_100000729378 [0,2,0,0,0,0|1,0,0]=3 27177 B14R1.14 FCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000729378 [0,2,0,0,0,0|1,0,0]=3 27178 B14R1.14 FCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000729378 [0,2,0,0,0,0|1,0,0]=3 27179 B14R1.14 FCCCCCNc1ccc(cc1)F 34a_100000185862_100000729378 [0,2,0,0,0,0|1,0,0]=3 27180 B14R1.14 FCCCCCNc1ccc(cc1)I 34a_100000185761_100000729378 [0,2,0,0,0,0|1,0,0]=3 27181 B14R1.14 FCCCCCOc1ccc(cc1)Br 34a_100000185759_100000729378 [0,2,0,0,0,0|1,0,0]=3 27182 B14R1.14 FCCCCCOc1ccc(cc1)Br 7a_100000185759_100000729378 [0,2,0,0,0,0|1,0,0]=3 27183 B14R1.14 FCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000729378 [0,2,0,0,0,0|1,0,0]=3 27184 B14R1.14 FCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000729378 [0,2,0,0,0,0|1,0,0]=3 27185 B14R1.14 FCCCCCOc1ccc(cc1)F 34a_100000210339_100000729378 [0,2,0,0,0,0|1,0,0]=3 27186 B14R1.14 FCCCCCOc1ccc(cc1)I 34a_100000212066_100000729378 [0,2,0,0,0,0|1,0,0]=3 27187 B14R1.14 FCCCCCOc1ccc(cc1)I 7a_100000212066_100000729378 [0,2,0,0,0,0|1,0,0]=3 27188 B14R1.14 FCCCCCOc1ccc(cn1)Cl 34a_100011215309_100000729378 [0,2,0,0,0,0|2,0,0]=4 27189 B14R1.14 FCCCCCOc1ccc(cn1)F 34a_100000742473_100000729378 [0,2,0,0,0,0|2,0,0]=4 27190 B14R1.14 FCCCCCOc1ccc(nc1)Br 34a_100000685995_100000729378 [0,2,0,0,0,0|2,0,0]=4 27191 B14R1.14 FCCCCCOc1ccc(nc1)Br 7a_100000685995_100000729378 [0,2,0,0,0,0|2,0,0]=4 27192 B14R1.14 FCCCCCOc1ccc(nc1)Cl 34a_100000744096_100000729378 [0,2,0,0,0,0|2,0,0]=4 27193 B14R1.14 FCCCCCOc1ccc(nc1)Cl 7a_100000744096_100000729378 [0,2,0,0,0,0|2,0,0]=4 27194 B14R1.14 FCCCCCOc1ccc(nc1)F 34a_100000688820_100000729378 [0,2,0,0,0,0|2,0,0]=4 27195 B14R1.14 FCCCCCOc1ccc(nc1)F 7a_100000688820_100000729378 [0,2,0,0,0,0|2,0,0]=4 27196 B14R1.14 FCCCCCOc1ccc(nc1)I 34a_100000687607_100000729378 [0,2,0,0,0,0|2,0,0]=4 27197 B14R1.14 FCCCCCOc1ccc(nc1)I 7a_100000687607_100000729378 [0,2,0,0,0,0|2,0,0]=4 27198 B14R1.14 FCCCCCSc1ccc(cc1)Br 62a_100000729378_100000752885 [0,2,0,0,0,0|1,0,0]=3 27199 B14R1.14 FCCCCCSc1ccc(cc1)Br 62a_100000752885_100000729378 [0,2,0,0,0,0|1,0,0]=3 27200 B14R1.14 FCCCCCSc1ccc(cc1)Cl 62a_100000729378_100000755918 [0,2,0,0,0,0|1,0,0]=3 27201 B14R1.14 FCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000729378 [0,2,0,0,0,0|1,0,0]=3 27202 B14R1.14 FCCCCCSc1ccc(cc1)F 62a_100000211213_100000729378 [0,2,0,0,0,0|1,0,0]=3 27203 B14R1.14 FCCCCCSc1ccc(cc1)F 62a_100000729378_100000211213 [0,2,0,0,0,0|1,0,0]=3 27204 B14R1.14 FCCCCCSc1ccc(cn1)Br 62a_100000686858_100000729378 [0,2,0,0,0,0|2,0,0]=4 27205 B14R1.14 FCCCCCSc1ccc(cn1)Br 62a_100000729378_100000686858 [0,2,0,0,0,0|2,0,0]=4 27206 B14R1.14 FCCCCCSc1ccc(cn1)Cl 62a_100000729378_100011356976 [0,2,0,0,0,0|2,0,0]=4 27207 B14R1.14 FCCCCCSc1ccc(cn1)Cl 62a_100011356976_100000729378 [0,2,0,0,0,0|2,0,0]=4 27208 B14R1.14 FCCCCCSc1ccc(cn1)F 62a_100000729378_100000744514 [0,2,0,0,0,0|2,0,0]=4 27209 B14R1.14 FCCCCCSc1ccc(cn1)F 62a_100000744514_100000729378 [0,2,0,0,0,0|2,0,0]=4 27210 B14R1.14 FCCCCCSc1ccc(nc1)Br 62a_100000729378_100009814638 [0,2,0,0,0,0|2,0,0]=4 27211 B14R1.14 FCCCCCSc1ccc(nc1)Br 62a_100009814638_100000729378 [0,2,0,0,0,0|2,0,0]=4 27212 B14R1.14 FCCCCCSc1ccc(nc1)Cl 62a_100000034144_100000729378 [0,2,0,0,0,0|2,0,0]=4 27213 B14R1.14 FCCCCCSc1ccc(nc1)Cl 62a_100000729378_100000034144 [0,2,0,0,0,0|2,0,0]=4 27214 B14R1.14 FCCCCCSc1ccc(nc1)F 62a_100000042367_100000729378 [0,2,0,0,0,0|2,0,0]=4 27215 B14R1.14 FCCCCCSc1ccc(nc1)F 62a_100000729378_100000042367 [0,2,0,0,0,0|2,0,0]=4 27216 B14R1.14 FCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000729493 [0,2,0,0,0,0|1,0,0]=3 27217 B14R1.14 FCCCCNCc1ccc(cc1)Br 34a_100000174875_100000729493 [0,2,0,0,0,0|1,0,0]=3 27218 B14R1.14 FCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000729493 [0,2,0,0,0,0|1,0,0]=3 27219 B14R1.14 FCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000729493 [0,2,0,0,0,0|1,0,0]=3 27220 B14R1.14 FCCCCNCc1ccc(cc1)F 2230a_100000174882_100000729493 [0,2,0,0,0,0|1,0,0]=3 27221 B14R1.14 FCCCCNCc1ccc(cc1)F 34a_100000174882_100000729493 [0,2,0,0,0,0|1,0,0]=3 27222 B14R1.14 FCCCCNCc1ccc(cc1)I 2230a_100016989417_100000729493 [0,2,0,0,0,0|1,0,0]=3 27223 B14R1.14 FCCCCNCc1ccc(cc1)I 34a_100016989417_100000729493 [0,2,0,0,0,0|1,0,0]=3 27224 B14R1.14 FCCCCNCc1ccc(cn1)Br 34a_100015188789_100000729493 [0,2,0,0,0,0|2,0,0]=4 27225 B14R1.14 FCCCCNCc1ccc(cn1)Cl 34a_100000697193_100000729493 [0,2,0,0,0,0|2,0,0]=4 27226 B14R1.14 FCCCCNCc1ccc(cn1)F 34a_100020620131_100000729493 [0,2,0,0,0,0|2,0,0]=4 27227 B14R1.14 FCCCCNCc1ccc(nc1)Br 2230a_100009817727_100000729493 [0,2,0,0,0,0|2,0,0]=4 27228 B14R1.14 FCCCCNCc1ccc(nc1)Br 34a_100009817727_100000729493 [0,2,0,0,0,0|2,0,0]=4 27229 B14R1.14 FCCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000729493 [0,2,0,0,0,0|2,0,0]=4 27230 B14R1.14 FCCCCNCc1ccc(nc1)Cl 34a_100000735879_100000729493 [0,2,0,0,0,0|2,0,0]=4 27231 B14R1.14 FCCCCNCc1ccc(nc1)F 2230a_100000101913_100000729493 [0,2,0,0,0,0|2,0,0]=4 27232 B14R1.14 FCCCCNCc1ccc(nc1)F 34a_100000101913_100000729493 [0,2,0,0,0,0|2,0,0]=4 27233 B14R1.14 FCCCCOCc1ccc(cc1)Br 34a_100000695286_100000729493 [0,2,0,0,0,0|1,0,0]=3 27234 B14R1.14 FCCCCOCc1ccc(cc1)Br 34a_100011995726_100000189115 [0,2,0,0,0,0|1,0,0]=3 27235 B14R1.14 FCCCCOCc1ccc(cc1)Br 7a_100011995726_100011217064 [0,2,0,0,0,0|1,0,0]=3 27236 B14R1.14 FCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000729493 [0,2,0,0,0,0|1,0,0]=3 27237 B14R1.14 FCCCCOCc1ccc(cc1)Cl 34a_100011995726_100000694040 [0,2,0,0,0,0|1,0,0]=3 27238 B14R1.14 FCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000729493 [0,2,0,0,0,0|1,0,0]=3 27239 B14R1.14 FCCCCOCc1ccc(cc1)Cl 7a_100011995726_100000187161 [0,2,0,0,0,0|1,0,0]=3 27240 B14R1.14 FCCCCOCc1ccc(cc1)F 34a_100000210977_100000729493 [0,2,0,0,0,0|1,0,0]=3 27241 B14R1.14 FCCCCOCc1ccc(cc1)F 34a_100011995726_100000198546 [0,2,0,0,0,0|1,0,0]=3 27242 B14R1.14 FCCCCOCc1ccc(cc1)F 7a_100000210977_100000729493 [0,2,0,0,0,0|1,0,0]=3 27243 B14R1.14 FCCCCOCc1ccc(cc1)F 7a_100011995726_100000198546 [0,2,0,0,0,0|1,0,0]=3 27244 B14R1.14 FCCCCOCc1ccc(cc1)I 34a_100000690907_100000729493 [0,2,0,0,0,0|1,0,0]=3 27245 B14R1.14 FCCCCOCc1ccc(cc1)I 34a_100011995726_100000189116 [0,2,0,0,0,0|1,0,0]=3 27246 B14R1.14 FCCCCOCc1ccc(cc1)I 7a_100000690907_100000729493 [0,2,0,0,0,0|1,0,0]=3 27247 B14R1.14 FCCCCOCc1ccc(cc1)I 7a_100011995726_100000189116 [0,2,0,0,0,0|1,0,0]=3 27248 B14R1.14 FCCCCOCc1ccc(cn1)Br 34a_100000754261_100000729493 [0,2,0,0,0,0|2,0,0]=4 27249 B14R1.14 FCCCCOCc1ccc(cn1)Br 34a_100011995726_100000702658 [0,2,0,0,0,0|2,0,0]=4 27250 B14R1.14 FCCCCOCc1ccc(cn1)Br 7a_100011995726_100000702658 [0,2,0,0,0,0|2,0,0]=4 27251 B14R1.14 FCCCCOCc1ccc(cn1)Cl 34a_100000703999_100000729493 [0,2,0,0,0,0|2,0,0]=4 27252 B14R1.14 FCCCCOCc1ccc(cn1)Cl 34a_100011995726_100012066911 [0,2,0,0,0,0|2,0,0]=4 27253 B14R1.14 FCCCCOCc1ccc(cn1)Cl 7a_100011995726_100012066911 [0,2,0,0,0,0|2,0,0]=4 27254 B14R1.14 FCCCCOCc1ccc(cn1)F 34a_100011995726_100000703193 [0,2,0,0,0,0|2,0,0]=4 27255 B14R1.14 FCCCCOCc1ccc(cn1)F 34a_100011999454_100000729493 [0,2,0,0,0,0|2,0,0]=4 27256 B14R1.14 FCCCCOCc1ccc(cn1)F 7a_100011995726_100000703193 [0,2,0,0,0,0|2,0,0]=4 27257 B14R1.14 FCCCCOCc1ccc(nc1)Br 34a_100009816760_100000729493 [0,2,0,0,0,0|2,0,0]=4 27258 B14R1.14 FCCCCOCc1ccc(nc1)Br 34a_100011995726_100009831999 [0,2,0,0,0,0|2,0,0]=4 27259 B14R1.14 FCCCCOCc1ccc(nc1)Br 7a_100009816760_100000729493 [0,2,0,0,0,0|2,0,0]=4 27260 B14R1.14 FCCCCOCc1ccc(nc1)Br 7a_100011995726_100009831999 [0,2,0,0,0,0|2,0,0]=4 27261 B14R1.14 FCCCCOCc1ccc(nc1)Cl 34a_100000755211_100000729493 [0,2,0,0,0,0|2,0,0]=4 27262 B14R1.14 FCCCCOCc1ccc(nc1)Cl 34a_100011995726_100000735431 [0,2,0,0,0,0|2,0,0]=4 27263 B14R1.14 FCCCCOCc1ccc(nc1)Cl 7a_100000755211_100000729493 [0,2,0,0,0,0|2,0,0]=4 27264 B14R1.14 FCCCCOCc1ccc(nc1)Cl 7a_100011995726_100000735431 [0,2,0,0,0,0|2,0,0]=4 27265 B14R1.14 FCCCCOCc1ccc(nc1)F 34a_100000079959_100000729493 [0,2,0,0,0,0|2,0,0]=4 27266 B14R1.14 FCCCCOCc1ccc(nc1)F 34a_100011995726_100000099788 [0,2,0,0,0,0|2,0,0]=4 27267 B14R1.14 FCCCCOCc1ccc(nc1)F 7a_100011995726_100009820150 [0,2,0,0,0,0|2,0,0]=4 27268 B14R1.14 FCCCCSCc1ccc(cc1)Br 62a_100000189115_100000729493 [0,2,0,0,0,0|1,0,0]=3 27269 B14R1.14 FCCCCSCc1ccc(cc1)Br 62a_100000729493_100000189115 [0,2,0,0,0,0|1,0,0]=3 27270 B14R1.14 FCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000729493 [0,2,0,0,0,0|1,0,0]=3 27271 B14R1.14 FCCCCSCc1ccc(cc1)Cl 62a_100000729493_100000187161 [0,2,0,0,0,0|1,0,0]=3 27272 B14R1.14 FCCCCSCc1ccc(cc1)F 62a_100000198546_100000729493 [0,2,0,0,0,0|1,0,0]=3 27273 B14R1.14 FCCCCSCc1ccc(cc1)F 62a_100000729493_100000187164 [0,2,0,0,0,0|1,0,0]=3 27274 B14R1.14 FCCCCSCc1ccc(cc1)I 62a_100000189116_100000729493 [0,2,0,0,0,0|1,0,0]=3 27275 B14R1.14 FCCCCSCc1ccc(cc1)I 62a_100000729493_100000189116 [0,2,0,0,0,0|1,0,0]=3 27276 B14R1.14 FCCCCSCc1ccc(cn1)Br 62a_100000702658_100000729493 [0,2,0,0,0,0|2,0,0]=4 27277 B14R1.14 FCCCCSCc1ccc(cn1)Br 62a_100000729493_100000702658 [0,2,0,0,0,0|2,0,0]=4 27278 B14R1.14 FCCCCSCc1ccc(cn1)Cl 62a_100000729493_100000697101 [0,2,0,0,0,0|2,0,0]=4 27279 B14R1.14 FCCCCSCc1ccc(cn1)Cl 62a_100012066911_100000729493 [0,2,0,0,0,0|2,0,0]=4 27280 B14R1.14 FCCCCSCc1ccc(cn1)F 62a_100000703193_100000729493 [0,2,0,0,0,0|2,0,0]=4 27281 B14R1.14 FCCCCSCc1ccc(cn1)F 62a_100000729493_100000703193 [0,2,0,0,0,0|2,0,0]=4 27282 B14R1.14 FCCCCSCc1ccc(nc1)Br 62a_100000729493_100009831999 [0,2,0,0,0,0|2,0,0]=4 27283 B14R1.14 FCCCCSCc1ccc(nc1)Br 62a_100009831999_100000729493 [0,2,0,0,0,0|2,0,0]=4 27284 B14R1.14 FCCCCSCc1ccc(nc1)Cl 62a_100000729493_100000735431 [0,2,0,0,0,0|2,0,0]=4 27285 B14R1.14 FCCCCSCc1ccc(nc1)Cl 62a_100000735431_100000729493 [0,2,0,0,0,0|2,0,0]=4 27286 B14R1.14 FCCCCSCc1ccc(nc1)F 62a_100000729493_100000099788 [0,2,0,0,0,0|2,0,0]=4 27287 B14R1.14 FCCCCSCc1ccc(nc1)F 62a_100009820150_100000729493 [0,2,0,0,0,0|2,0,0]=4 27288 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100000755846_100011934791 [0,2,0,0,0,0|1,0,0]=3 27289 B14R1.14 FCCCNCCc1ccc(cc1)Br 2230a_100015189416_100011740612 [0,2,0,0,0,0|1,0,0]=3 27290 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100000755846_100011934791 [0,2,0,0,0,0|1,0,0]=3 27291 B14R1.14 FCCCNCCc1ccc(cc1)Br 34a_100015189416_100011740612 [0,2,0,0,0,0|1,0,0]=3 27292 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011934791 [0,2,0,0,0,0|1,0,0]=3 27293 B14R1.14 FCCCNCCc1ccc(cc1)Cl 2230a_100015189416_100011713675 [0,2,0,0,0,0|1,0,0]=3 27294 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100000185265_100011934791 [0,2,0,0,0,0|1,0,0]=3 27295 B14R1.14 FCCCNCCc1ccc(cc1)Cl 34a_100015189416_100011713675 [0,2,0,0,0,0|1,0,0]=3 27296 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100000199005_100011934791 [0,2,0,0,0,0|1,0,0]=3 27297 B14R1.14 FCCCNCCc1ccc(cc1)F 2230a_100015189416_100011217392 [0,2,0,0,0,0|1,0,0]=3 27298 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100000199005_100011934791 [0,2,0,0,0,0|1,0,0]=3 27299 B14R1.14 FCCCNCCc1ccc(cc1)F 34a_100015189416_100011217392 [0,2,0,0,0,0|1,0,0]=3 27300 B14R1.14 FCCCOCCc1ccc(cc1)Br 34a_100000759539_100011740612 [0,2,0,0,0,0|1,0,0]=3 27301 B14R1.14 FCCCOCCc1ccc(cc1)Br 34a_100000766406_100011934791 [0,2,0,0,0,0|1,0,0]=3 27302 B14R1.14 FCCCOCCc1ccc(cc1)Br 7a_100000766406_100011934791 [0,2,0,0,0,0|1,0,0]=3 27303 B14R1.14 FCCCOCCc1ccc(cc1)Cl 34a_100000759539_100011713675 [0,2,0,0,0,0|1,0,0]=3 27304 B14R1.14 FCCCOCCc1ccc(cc1)Cl 34a_100011219627_100011934791 [0,2,0,0,0,0|1,0,0]=3 27305 B14R1.14 FCCCOCCc1ccc(cc1)Cl 7a_100011219627_100011934791 [0,2,0,0,0,0|1,0,0]=3 27306 B14R1.14 FCCCOCCc1ccc(cc1)F 34a_100000754732_100011934791 [0,2,0,0,0,0|1,0,0]=3 27307 B14R1.14 FCCCOCCc1ccc(cc1)F 34a_100000759539_100011217392 [0,2,0,0,0,0|1,0,0]=3 27308 B14R1.14 FCCCOCCc1ccc(cc1)F 7a_100000754732_100011934791 [0,2,0,0,0,0|1,0,0]=3 27309 B14R1.14 FCCCOCCc1ccc(cc1)I 34a_100012291149_100011934791 [0,2,0,0,0,0|1,0,0]=3 27310 B14R1.14 FCCCOCCc1ccc(cc1)I 7a_100012291149_100011934791 [0,2,0,0,0,0|1,0,0]=3 27311 B14R1.14 FCCCOCCc1ccc(cn1)Br 34a_100012357577_100011934791 [0,2,0,0,0,0|2,0,0]=4 27312 B14R1.14 FCCCOCCc1ccc(nc1)Cl 34a_100009880866_100011934791 [0,2,0,0,0,0|2,0,0]=4 27313 B14R1.14 FCCCOCCc1ccc(nc1)Cl 7a_100009880866_100011934791 [0,2,0,0,0,0|2,0,0]=4 27314 B14R1.14 FCCCSCCc1ccc(cc1)Br 62a_100011740612_100011934791 [0,2,0,0,0,0|1,0,0]=3 27315 B14R1.14 FCCCSCCc1ccc(cc1)Br 62a_100011934791_100011740612 [0,2,0,0,0,0|1,0,0]=3 27316 B14R1.14 FCCCSCCc1ccc(cc1)Cl 62a_100011713675_100011934791 [0,2,0,0,0,0|1,0,0]=3 27317 B14R1.14 FCCCSCCc1ccc(cc1)Cl 62a_100011934791_100011713675 [0,2,0,0,0,0|1,0,0]=3 27318 B14R1.14 FCCCSCCc1ccc(cc1)F 62a_100011217392_100011934791 [0,2,0,0,0,0|1,0,0]=3 27319 B14R1.14 FCCCSCCc1ccc(cc1)F 62a_100011934791_100011217392 [0,2,0,0,0,0|1,0,0]=3 27320 B14R1.14 FCCNCCCc1ccc(cc1)Br 2230a_100011297623_100011217306 [0,2,0,0,0,0|1,0,0]=3 27321 B14R1.14 FCCNCCCc1ccc(cc1)Br 34a_100000724931_100011713682 [0,2,0,0,0,0|1,0,0]=3 27322 B14R1.14 FCCNCCCc1ccc(cc1)Br 34a_100011297623_100011217306 [0,2,0,0,0,0|1,0,0]=3 27323 B14R1.14 FCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011217306 [0,2,0,0,0,0|1,0,0]=3 27324 B14R1.14 FCCNCCCc1ccc(cc1)Cl 34a_100000724931_100000759440 [0,2,0,0,0,0|1,0,0]=3 27325 B14R1.14 FCCNCCCc1ccc(cc1)Cl 34a_100000748451_100011217306 [0,2,0,0,0,0|1,0,0]=3 27326 B14R1.14 FCCNCCCc1ccc(cc1)F 2230a_100025745824_100011217306 [0,2,0,0,0,0|1,0,0]=3 27327 B14R1.14 FCCNCCCc1ccc(cc1)F 34a_100000724931_200011713563 [0,2,0,0,0,0|1,0,0]=3 27328 B14R1.14 FCCNCCCc1ccc(cc1)F 34a_100025745824_100011217306 [0,2,0,0,0,0|1,0,0]=3 27329 B14R1.14 FCCNCCOc1ccc(cc1)Br 2230a_100000746992_100011217306 [0,2,0,0,0,0|2,0,0]=4 27330 B14R1.14 FCCNCCOc1ccc(cc1)Br 34a_100000724931_100000183278 [0,2,0,0,0,0|2,0,0]=4 27331 B14R1.14 FCCNCCOc1ccc(cc1)Br 34a_100000746992_100011217306 [0,2,0,0,0,0|2,0,0]=4 27332 B14R1.14 FCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100011217306 [0,2,0,0,0,0|2,0,0]=4 27333 B14R1.14 FCCNCCOc1ccc(cc1)Cl 34a_100000697975_100011217306 [0,2,0,0,0,0|2,0,0]=4 27334 B14R1.14 FCCNCCOc1ccc(cc1)Cl 34a_100000724931_100000184122 [0,2,0,0,0,0|2,0,0]=4 27335 B14R1.14 FCCNCCOc1ccc(cc1)F 2230a_100000737420_100011217306 [0,2,0,0,0,0|2,0,0]=4 27336 B14R1.14 FCCNCCOc1ccc(cc1)F 34a_100000724931_100000184936 [0,2,0,0,0,0|2,0,0]=4 27337 B14R1.14 FCCNCCOc1ccc(cc1)F 34a_100000737420_100011217306 [0,2,0,0,0,0|2,0,0]=4 27338 B14R1.14 FCCNCCSc1ccc(cc1)Br 2230a_100000184645_100011217306 [0,2,0,0,0,0|2,0,0]=4 27339 B14R1.14 FCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100011217306 [0,2,0,0,0,0|2,0,0]=4 27340 B14R1.14 FCCOCCCc1ccc(cc1)Br 34a_100011709247_100011217306 [0,2,0,0,0,0|1,0,0]=3 27341 B14R1.14 FCCOCCCc1ccc(cc1)Br 7a_100011709247_100011217306 [0,2,0,0,0,0|1,0,0]=3 27342 B14R1.14 FCCOCCCc1ccc(cc1)Cl 34a_100011217485_100011217306 [0,2,0,0,0,0|1,0,0]=3 27343 B14R1.14 FCCOCCCc1ccc(cc1)Cl 7a_100011217485_100011217306 [0,2,0,0,0,0|1,0,0]=3 27344 B14R1.14 FCCOCCCc1ccc(cc1)F 34a_100000757351_100011217306 [0,2,0,0,0,0|1,0,0]=3 27345 B14R1.14 FCCOCCCc1ccc(cc1)F 7a_100000757351_100011217306 [0,2,0,0,0,0|1,0,0]=3 27346 B14R1.14 FCCOCCOc1ccc(cc1)Br 34a_100000686261_100011217306 [0,2,0,0,0,0|2,0,0]=4 27347 B14R1.14 FCCOCCOc1ccc(cc1)Br 7a_100000686261_100011217306 [0,2,0,0,0,0|2,0,0]=4 27348 B14R1.14 FCCOCCOc1ccc(cc1)Cl 34a_100000237962_100011217306 [0,2,0,0,0,0|2,0,0]=4 27349 B14R1.14 FCCOCCOc1ccc(cc1)Cl 7a_100000237962_100011217306 [0,2,0,0,0,0|2,0,0]=4 27350 B14R1.14 FCCOCCSc1ccc(cc1)Cl 34a_100000230527_100011217306 [0,2,0,0,0,0|2,0,0]=4 27351 B14R1.14 FCCOCCSc1ccc(cc1)Cl 7a_100000230527_100011217306 [0,2,0,0,0,0|2,0,0]=4 27352 B14R1.14 FCCOCCSc1ccc(cc1)F 34a_200000230679_100011217306 [0,2,0,0,0,0|2,0,0]=4 27353 B14R1.14 FCCOCCSc1ccc(cc1)F 7a_200000230679_100011217306 [0,2,0,0,0,0|2,0,0]=4 27354 B14R1.14 FCCSCCCc1ccc(cc1)Br 62a_100011217306_100011713682 [0,2,0,0,0,0|1,0,0]=3 27355 B14R1.14 FCCSCCCc1ccc(cc1)Br 62a_100011713682_100011217306 [0,2,0,0,0,0|1,0,0]=3 27356 B14R1.14 FCCSCCCc1ccc(cc1)Cl 62a_100000759440_100011217306 [0,2,0,0,0,0|1,0,0]=3 27357 B14R1.14 FCCSCCCc1ccc(cc1)Cl 62a_100011217306_100000759440 [0,2,0,0,0,0|1,0,0]=3 27358 B14R1.14 FCCSCCCc1ccc(cc1)F 62a_100011217306_200011713563 [0,2,0,0,0,0|1,0,0]=3 27359 B14R1.14 FCCSCCCc1ccc(cc1)F 62a_200011713563_100011217306 [0,2,0,0,0,0|1,0,0]=3 27360 B14R1.14 FCCSCCOc1ccc(cc1)Br 62a_100000183278_100011217306 [0,2,0,0,0,0|2,0,0]=4 27361 B14R1.14 FCCSCCOc1ccc(cc1)Br 62a_100011217306_100000183278 [0,2,0,0,0,0|2,0,0]=4 27362 B14R1.14 FCCSCCOc1ccc(cc1)Cl 62a_100000184122_100011217306 [0,2,0,0,0,0|2,0,0]=4 27363 B14R1.14 FCCSCCOc1ccc(cc1)Cl 62a_100011217306_100000184122 [0,2,0,0,0,0|2,0,0]=4 27364 B14R1.14 FCCSCCOc1ccc(cc1)F 62a_100000184936_100011217306 [0,2,0,0,0,0|2,0,0]=4 27365 B14R1.14 FCCSCCOc1ccc(cc1)F 62a_100011217306_100000184936 [0,2,0,0,0,0|2,0,0]=4 27366 B14R1.14 FCNCCCCc1ccc(cc1)Cl 34a_100160821348_100015361967 [0,2,0,0,0,0|1,0,0]=3 27367 B14R1.14 FCNCCCOc1ccc(cc1)Cl 34a_200011199081_100015361967 [0,2,0,0,0,0|2,0,0]=4 27368 B14R1.14 FCNCCCOc1ccc(cc1)F 34a_100000747263_100015361967 [0,2,0,0,0,0|2,0,0]=4 27369 B14R1.14 FCNCCOCc1ccc(cc1)Cl 34a_100000189180_100015361967 [0,2,0,0,0,0|2,0,0]=4 27370 B14R1.14 FCNCCSCc1ccc(cc1)Cl 34a_100000739548_100015361967 [0,2,0,0,0,0|2,0,0]=4 27371 B14R1.14 FCNCCSCc1ccc(cc1)Cl 7a_100000739548_100015361967 [0,2,0,0,0,0|2,0,0]=4 27372 B14R1.14 FCNCCSCc1ccc(cc1)F 34a_100020610864_100015361967 [0,2,0,0,0,0|2,0,0]=4 27373 B14R1.14 FCNCCSCc1ccc(cc1)F 7a_100020610864_100015361967 [0,2,0,0,0,0|2,0,0]=4 27374 B14R1.14 FCOCCCOc1ccc(cc1)Br 34a_100000756186_100015361967 [0,2,0,0,0,0|2,0,0]=4 27375 B14R1.14 FCOCCCOc1ccc(cc1)Br 7a_100000756186_100015361967 [0,2,0,0,0,0|2,0,0]=4 27376 B14R1.14 FCOCCNCc1ccc(cc1)Br 34a_100000186819_100015361967 [0,2,0,0,0,0|2,0,0]=4 27377 B14R1.14 FCOCCNCc1ccc(cc1)F 34a_100015183715_100015361967 [0,2,0,0,0,0|2,0,0]=4 27378 B14R1.14 FCOCCSCc1ccc(cc1)Cl 34a_200000186141_100015361967 [0,2,0,0,0,0|2,0,0]=4 27379 B14R1.14 FCOCCSCc1ccc(cc1)Cl 7a_200000186141_100015361967 [0,2,0,0,0,0|2,0,0]=4 27380 B14R1.14 FCSCCCCc1ccc(cc1)Br 62a_100015361967_200012094861 [0,2,0,0,0,0|1,0,0]=3 27381 B14R1.14 FCSCCCCc1ccc(cc1)Br 62a_200012094861_100015361967 [0,2,0,0,0,0|1,0,0]=3 27382 B14R1.14 FCSCCCCc1ccc(cc1)F 62a_100012093538_100015361967 [0,2,0,0,0,0|1,0,0]=3 27383 B14R1.14 FCSCCCCc1ccc(cc1)F 62a_100015361967_100012093538 [0,2,0,0,0,0|1,0,0]=3 27384 B14R1.14 FCSCCCOc1ccc(cc1)Br 62a_100011259224_100015361967 [0,2,0,0,0,0|2,0,0]=4 27385 B14R1.14 FCSCCCOc1ccc(cc1)Br 62a_100015361967_100011259224 [0,2,0,0,0,0|2,0,0]=4 27386 B14R1.14 FCSCCCOc1ccc(cc1)F 62a_100000181347_100015361967 [0,2,0,0,0,0|2,0,0]=4 27387 B14R1.14 FCSCCCOc1ccc(cc1)F 62a_100015361967_100000181347 [0,2,0,0,0,0|2,0,0]=4 27388 B14R1.14 Fc1ccc(cc1)CCCOCCBr 34a_100000211926_200011713563 [0,2,0,0,0,0|1,0,0]=3 27389 B14R1.14 Fc1ccc(cc1)CCOCCCBr 34a_100011217188_100011217392 [0,2,0,0,0,0|1,0,0]=3 27390 B14R1.14 Fc1ccc(cc1)CCOCCCCl 34a_100000230001_100011217392 [0,2,0,0,0,0|1,0,0]=3 27391 B14R1.14 Fc1ccc(cc1)COCCCCBr 34a_100011216708_100000198546 [0,2,0,0,0,0|1,0,0]=3 27392 B14R1.14 Fc1ccc(cc1)COCCCCCl 34a_100000210776_100000198546 [0,2,0,0,0,0|1,0,0]=3 27393 B14R1.14 Fc1ccc(cc1)COCCCCCl 7a_100000210776_100000198546 [0,2,0,0,0,0|1,0,0]=3 27394 B14R1.14 Fc1ccc(cc1)COCCCCI 34a_200012148704_100000198546 [0,2,0,0,0,0|1,0,0]=3 27395 B14R1.14 Fc1ccc(cc1)OCCOCCBr 34a_100000211926_100000184936 [0,2,0,0,0,0|2,0,0]=4 27396 B14R1.14 Fc1ccc(cn1)COCCCCBr 34a_100011216708_100000099788 [0,2,0,0,0,0|2,0,0]=4 27397 B14R1.14 Fc1ccc(cn1)COCCCCCl 34a_100000210776_100000099788 [0,2,0,0,0,0|2,0,0]=4 27398 B14R1.14 Fc1ccc(cn1)COCCCCCl 7a_100000210776_100009820150 [0,2,0,0,0,0|2,0,0]=4 27399 B14R1.14 Fc1ccc(cn1)COCCCCI 34a_200012148704_100000099788 [0,2,0,0,0,0|2,0,0]=4 27400 B14R1.14 Fc1ccc(nc1)COCCCCBr 34a_100011216708_100000703193 [0,2,0,0,0,0|2,0,0]=4 27401 B14R1.14 Fc1ccc(nc1)COCCCCCl 34a_100000210776_100000703193 [0,2,0,0,0,0|2,0,0]=4 27402 B14R1.14 Fc1ccc(nc1)COCCCCCl 7a_100000210776_100000703193 [0,2,0,0,0,0|2,0,0]=4 27403 B14R1.14 Fc1ccc(nc1)COCCCCI 34a_200012148704_100000703193 [0,2,0,0,0,0|2,0,0]=4 27404 B14R1.14 ICCCCOCc1ccc(cc1)I 34a_200012148704_100000189116 [0,2,0,0,0,0|1,0,0]=3 27405 B14R1.14 N#CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000211819 [0,2,0,0,0,0|1,0,1]=4 27406 B14R1.14 N#CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000211819 [0,2,0,0,0,0|1,0,1]=4 27407 B14R1.14 N#CCCCCOc1ccc(cc1)Br 7a_100000185759_100000211819 [0,2,0,0,0,0|1,0,1]=4 27408 B14R1.14 N#CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000211819 [0,2,0,0,0,0|1,0,1]=4 27409 B14R1.14 N#CCCCCOc1ccc(cc1)I 7a_100000212066_100000211819 [0,2,0,0,0,0|1,0,1]=4 27410 B14R1.14 N#CCCCCSc1ccc(cc1)Br 62a_100000752885_100000211819 [0,2,0,0,0,0|1,0,1]=4 27411 B14R1.14 N#CCCCCSc1ccc(cc1)Br 62a_100011219923_100000752885 [0,2,0,0,0,0|1,0,1]=4 27412 B14R1.14 N#CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000211819 [0,2,0,0,0,0|1,0,1]=4 27413 B14R1.14 N#CCCCCSc1ccc(cc1)Cl 62a_100011219923_100000755918 [0,2,0,0,0,0|1,0,1]=4 27414 B14R1.14 N#CCCCCSc1ccc(cc1)F 62a_100000211213_100000211819 [0,2,0,0,0,0|1,0,1]=4 27415 B14R1.14 N#CCCCCSc1ccc(cc1)F 62a_100011219923_100000211213 [0,2,0,0,0,0|1,0,1]=4 27416 B14R1.14 N#CCCCCSc1ccc(cc1)N 62a_100000185761_100000211819 [0,2,0,0,0,0|1,0,1]=4 27417 B14R1.14 N#CCCCCSc1ccc(cc1)N 62a_100011219923_100000185761 [0,2,0,0,0,0|1,0,1]=4 27418 B14R1.14 N#CCCCCSc1ccc(cc1)O 62a_100011219923_100000185759 [0,2,0,0,0,0|1,0,1]=4 27419 B14R1.14 N#CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000687738 [0,2,0,0,0,0|1,0,1]=4 27420 B14R1.14 N#CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000687738 [0,2,0,0,0,0|1,0,1]=4 27421 B14R1.14 N#CCCCNCc1ccc(cc1)F 2230a_100000174882_100000687738 [0,2,0,0,0,0|1,0,1]=4 27422 B14R1.14 N#CCCCNCc1ccc(cc1)I 2230a_100016989417_100000687738 [0,2,0,0,0,0|1,0,1]=4 27423 B14R1.14 N#CCCCOCc1ccc(cc1)Cl 7a_100000211118_100000687738 [0,2,0,0,0,0|1,0,1]=4 27424 B14R1.14 N#CCCCOCc1ccc(cc1)F 7a_100000210977_100000687738 [0,2,0,0,0,0|1,0,1]=4 27425 B14R1.14 N#CCCCOCc1ccc(cc1)I 7a_100000690907_100000687738 [0,2,0,0,0,0|1,0,1]=4 27426 B14R1.14 N#CCCCSCc1ccc(cc1)Br 62a_100000189115_100000687738 [0,2,0,0,0,0|1,0,1]=4 27427 B14R1.14 N#CCCCSCc1ccc(cc1)Br 62a_100000687738_100000189115 [0,2,0,0,0,0|1,0,1]=4 27428 B14R1.14 N#CCCCSCc1ccc(cc1)Cl 62a_100000187161_100000687738 [0,2,0,0,0,0|1,0,1]=4 27429 B14R1.14 N#CCCCSCc1ccc(cc1)Cl 62a_100000687738_100000187161 [0,2,0,0,0,0|1,0,1]=4 27430 B14R1.14 N#CCCCSCc1ccc(cc1)F 62a_100000198546_100000687738 [0,2,0,0,0,0|1,0,1]=4 27431 B14R1.14 N#CCCCSCc1ccc(cc1)F 62a_100000687738_100000187164 [0,2,0,0,0,0|1,0,1]=4 27432 B14R1.14 N#CCCCSCc1ccc(cc1)I 62a_100000189116_100000687738 [0,2,0,0,0,0|1,0,1]=4 27433 B14R1.14 N#CCCCSCc1ccc(cc1)I 62a_100000687738_100000189116 [0,2,0,0,0,0|1,0,1]=4 27434 B14R1.14 N#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100011215226 [0,2,0,0,0,0|1,0,1]=4 27435 B14R1.14 N#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100011215226 [0,2,0,0,0,0|1,0,1]=4 27436 B14R1.14 N#CCCNCCc1ccc(cc1)F 2230a_100000199005_100011215226 [0,2,0,0,0,0|1,0,1]=4 27437 B14R1.14 N#CCCOCCc1ccc(cc1)Br 7a_100000766406_100000184422 [0,2,0,0,0,0|1,0,1]=4 27438 B14R1.14 N#CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000184422 [0,2,0,0,0,0|1,0,1]=4 27439 B14R1.14 N#CCCOCCc1ccc(cc1)F 7a_100000754732_100000184422 [0,2,0,0,0,0|1,0,1]=4 27440 B14R1.14 N#CCCOCCc1ccc(cc1)I 7a_100012291149_100000184422 [0,2,0,0,0,0|1,0,1]=4 27441 B14R1.14 N#CCCSCCc1ccc(cc1)Br 62a_100011215226_100011740612 [0,2,0,0,0,0|1,0,1]=4 27442 B14R1.14 N#CCCSCCc1ccc(cc1)Br 62a_100011740612_100011215226 [0,2,0,0,0,0|1,0,1]=4 27443 B14R1.14 N#CCCSCCc1ccc(cc1)Cl 62a_100011215226_100011713675 [0,2,0,0,0,0|1,0,1]=4 27444 B14R1.14 N#CCCSCCc1ccc(cc1)Cl 62a_100011713675_100011215226 [0,2,0,0,0,0|1,0,1]=4 27445 B14R1.14 N#CCCSCCc1ccc(cc1)F 62a_100011215226_100011217392 [0,2,0,0,0,0|1,0,1]=4 27446 B14R1.14 N#CCCSCCc1ccc(cc1)F 62a_100011217392_100011215226 [0,2,0,0,0,0|1,0,1]=4 27447 B14R1.14 N#CCCSCCc1ccc(cc1)O 62a_100009816426_100011215226 [0,2,0,0,0,0|1,0,1]=4 27448 B14R1.14 N#CCCSCCc1ccc(cc1)O 62a_100011215226_100009816426 [0,2,0,0,0,0|1,0,1]=4 27449 B14R1.14 N#CCNCCCc1ccc(cc1)Br 2230a_100011297623_100011215382 [0,2,0,0,0,0|1,0,1]=4 27450 B14R1.14 N#CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011215382 [0,2,0,0,0,0|1,0,1]=4 27451 B14R1.14 N#CCNCCCc1ccc(cc1)F 2230a_100025745824_100011215382 [0,2,0,0,0,0|1,0,1]=4 27452 B14R1.14 N#CCOCCCc1ccc(cc1)Br 7a_100011709247_100011215382 [0,2,0,0,0,0|1,0,1]=4 27453 B14R1.14 N#CCOCCCc1ccc(cc1)Cl 7a_100011217485_100011215382 [0,2,0,0,0,0|1,0,1]=4 27454 B14R1.14 N#CCOCCCc1ccc(cc1)F 7a_100000757351_100011215382 [0,2,0,0,0,0|1,0,1]=4 27455 B14R1.14 N#CCSCCCc1ccc(cc1)Br 62a_100011215382_100011713682 [0,2,0,0,0,0|1,0,1]=4 27456 B14R1.14 N#CCSCCCc1ccc(cc1)Br 62a_100011713682_100011215382 [0,2,0,0,0,0|1,0,1]=4 27457 B14R1.14 N#CCSCCCc1ccc(cc1)Cl 62a_100000759440_100011215382 [0,2,0,0,0,0|1,0,1]=4 27458 B14R1.14 N#CCSCCCc1ccc(cc1)Cl 62a_100011215382_100000759440 [0,2,0,0,0,0|1,0,1]=4 27459 B14R1.14 N#CCSCCCc1ccc(cc1)F 62a_100011215382_200011713563 [0,2,0,0,0,0|1,0,1]=4 27460 B14R1.14 N#CCSCCCc1ccc(cc1)F 62a_200011713563_100011215382 [0,2,0,0,0,0|1,0,1]=4 27461 B14R1.14 NCCCCOCc1ccc(cc1)Br 34a_100000750430_100000189115 [0,2,0,0,0,0|1,0,0]=3 27462 B14R1.14 NCCCCOCc1ccc(cc1)Cl 34a_100000750430_100000694040 [0,2,0,0,0,0|1,0,0]=3 27463 B14R1.14 NCCCCOCc1ccc(cc1)F 34a_100000750430_100000198546 [0,2,0,0,0,0|1,0,0]=3 27464 B14R1.14 NCCCCOCc1ccc(cc1)I 34a_100000750430_100000189116 [0,2,0,0,0,0|1,0,0]=3 27465 B14R1.14 NCCCCOCc1ccc(cn1)Br 34a_100000750430_100000702658 [0,2,0,0,0,0|2,0,0]=4 27466 B14R1.14 NCCCCOCc1ccc(cn1)Cl 34a_100000750430_100012066911 [0,2,0,0,0,0|2,0,0]=4 27467 B14R1.14 NCCCCOCc1ccc(cn1)F 34a_100000750430_100000703193 [0,2,0,0,0,0|2,0,0]=4 27468 B14R1.14 NCCCCOCc1ccc(nc1)Br 34a_100000750430_100009831999 [0,2,0,0,0,0|2,0,0]=4 27469 B14R1.14 NCCCCOCc1ccc(nc1)Cl 34a_100000750430_100000735431 [0,2,0,0,0,0|2,0,0]=4 27470 B14R1.14 NCCCCOCc1ccc(nc1)F 34a_100000750430_100000099788 [0,2,0,0,0,0|2,0,0]=4 27471 B14R1.14 NCCCOCCc1ccc(cc1)Br 34a_100000182051_100011740612 [0,2,0,0,0,0|1,0,0]=3 27472 B14R1.14 NCCCOCCc1ccc(cc1)Cl 34a_100000182051_100011713675 [0,2,0,0,0,0|1,0,0]=3 27473 B14R1.14 NCCCOCCc1ccc(cc1)F 34a_100000182051_100011217392 [0,2,0,0,0,0|1,0,0]=3 27474 B14R1.14 NCCOCCCc1ccc(cc1)Br 34a_100000210304_100011713682 [0,2,0,0,0,0|1,0,0]=3 27475 B14R1.14 NCCOCCCc1ccc(cc1)Cl 34a_100000210304_100000759440 [0,2,0,0,0,0|1,0,0]=3 27476 B14R1.14 NCCOCCCc1ccc(cc1)F 34a_100000210304_200011713563 [0,2,0,0,0,0|1,0,0]=3 27477 B14R1.14 NCCOCCOc1ccc(cc1)Br 34a_100000210304_100000183278 [0,2,0,0,0,0|2,0,0]=4 27478 B14R1.14 NCCOCCOc1ccc(cc1)Cl 34a_100000210304_100000184122 [0,2,0,0,0,0|2,0,0]=4 27479 B14R1.14 NCCOCCOc1ccc(cc1)F 34a_100000210304_100000184936 [0,2,0,0,0,0|2,0,0]=4 27480 B14R1.14 NOCCOCCc1ccc(cc1)Br 34a_100000700252_100011740612 [0,2,0,0,0,0|1,0,0]=3 27481 B14R1.14 NOCCOCCc1ccc(cc1)Cl 34a_100000700252_100011713675 [0,2,0,0,0,0|1,0,0]=3 27482 B14R1.14 NOCCOCCc1ccc(cc1)F 34a_100000700252_100011217392 [0,2,0,0,0,0|1,0,0]=3 27483 B14R1.14 Nc1ccc(cc1)CCOCCCF 34a_100011204434_100011934791 [0,2,0,0,0,0|1,0,0]=3 27484 B14R1.14 Nc1ccc(cc1)CCOCCCO 34a_100011204434_100000230001 [0,2,0,0,0,0|0,0,0]=2 27485 B14R1.14 Nc1ccc(cc1)COCC#CCO 34a_100011215238_200000047223 [0,2,0,0,0,0|0,0,2]=4 27486 B14R1.14 Nc1ccc(cc1)COCCCCF 34a_100011215238_100000729493 [0,2,0,0,0,0|1,0,0]=3 27487 B14R1.14 Nc1ccc(cc1)COCCCCO 34a_100011215238_100011216708 [0,2,0,0,0,0|0,0,0]=2 27488 B14R1.14 Nc1ccc(cc1)OCCCCCF 34a_100000185829_100000729378 [0,2,0,0,0,0|1,0,0]=3 27489 B14R1.14 Nc1ccc(cc1)OCCCCCO 34a_100000185829_100000746330 [0,2,0,0,0,0|0,0,0]=2 27490 B14R1.14 Nc1ccc(cc1)OCCCOCF 34a_100000730458_100015361967 [0,2,0,0,0,0|2,0,0]=4 27491 B14R1.14 Nc1ccc(cc1)OCCOCCF 34a_100000754363_100011217306 [0,2,0,0,0,0|2,0,0]=4 27492 B14R1.14 Nc1ccc(cc1)OCCOCCO 34a_100000185829_100000692535 [0,2,0,0,0,0|1,0,0]=3 27493 B14R1.14 Nc1ccc(cc1)OCCOCCO 34a_100000754363_100000211926 [0,2,0,0,0,0|1,0,0]=3 27494 B14R1.14 Nc1ccc(cc1)SCCCCC=O 62a_100000139335_100000185761 [0,2,0,0,0,0|0,0,2]=4 27495 B14R1.14 Nc1ccc(cc1)SCCCCC=O 62a_100000185761_100000139335 [0,2,0,0,0,0|0,0,2]=4 27496 B14R1.14 Nc1ccc(cc1)SCCCCCF 62a_100000185761_100000729378 [0,2,0,0,0,0|1,0,0]=3 27497 B14R1.14 Nc1ccc(cc1)SCCCCCF 62a_100000729378_100000185761 [0,2,0,0,0,0|1,0,0]=3 27498 B14R1.14 Nc1ccc(cc1)SCCCCCO 62a_100000185761_100000746330 [0,2,0,0,0,0|0,0,0]=2 27499 B14R1.14 Nc1ccc(cc1)SCCCCCO 62a_100000746330_100000185761 [0,2,0,0,0,0|0,0,0]=2 27500 B14R1.14 Nc1ccc(cc1)SCCOCCO 62a_100000185761_100011215305 [0,2,0,0,0,0|1,0,0]=3 27501 B14R1.14 Nc1ccc(cc1)SCCOCCO 62a_100011215305_100000185761 [0,2,0,0,0,0|1,0,0]=3 27502 B14R1.14 Nc1ccc(cn1)COCCCCF 34a_100000704267_100000729493 [0,2,0,0,0,0|2,0,0]=4 27503 B14R1.14 Nc1ccc(cn1)COCCCCO 34a_100000704267_100011216708 [0,2,0,0,0,0|1,0,0]=3 27504 B14R1.14 Nc1ccc(cn1)OCCCCCF 34a_100015188713_100000729378 [0,2,0,0,0,0|2,0,0]=4 27505 B14R1.14 Nc1ccc(cn1)OCCCCCF 7a_100015188713_100000729378 [0,2,0,0,0,0|2,0,0]=4 27506 B14R1.14 Nc1ccc(cn1)OCCCCCO 34a_100015188713_100000746330 [0,2,0,0,0,0|1,0,0]=3 27507 B14R1.14 Nc1ccc(cn1)OCCCCCO 7a_100015188713_100000746330 [0,2,0,0,0,0|1,0,0]=3 27508 B14R1.14 Nc1ccc(cn1)OCCOCCO 34a_100015188713_100000692535 [0,2,0,0,0,0|2,0,0]=4 27509 B14R1.14 Nc1ccc(cn1)OCCOCCO 7a_100015188713_100011215305 [0,2,0,0,0,0|2,0,0]=4 27510 B14R1.14 Nc1ccc(cn1)SCCCCCF 62a_100000187370_100000729378 [0,2,0,0,0,0|2,0,0]=4 27511 B14R1.14 Nc1ccc(cn1)SCCCCCF 62a_100000729378_100000187370 [0,2,0,0,0,0|2,0,0]=4 27512 B14R1.14 Nc1ccc(cn1)SCCCCCO 62a_100000187370_100000746330 [0,2,0,0,0,0|1,0,0]=3 27513 B14R1.14 Nc1ccc(cn1)SCCCCCO 62a_100000746330_100000187370 [0,2,0,0,0,0|1,0,0]=3 27514 B14R1.14 Nc1ccc(cn1)SCCOCCO 62a_100000187370_100011215305 [0,2,0,0,0,0|2,0,0]=4 27515 B14R1.14 Nc1ccc(cn1)SCCOCCO 62a_100011215305_100000187370 [0,2,0,0,0,0|2,0,0]=4 27516 B14R1.14 Nc1ccc(nc1)COCCCCF 34a_100011998161_100000729493 [0,2,0,0,0,0|2,0,0]=4 27517 B14R1.14 Nc1ccc(nc1)COCCCCO 34a_100011998161_100011216708 [0,2,0,0,0,0|1,0,0]=3 27518 B14R1.14 Nc1ccc(nc1)OCCCCCF 34a_100000729260_100000729378 [0,2,0,0,0,0|2,0,0]=4 27519 B14R1.14 Nc1ccc(nc1)OCCCCCO 34a_100000729260_100000746330 [0,2,0,0,0,0|1,0,0]=3 27520 B14R1.14 Nc1ccc(nc1)OCCOCCO 34a_100000729260_100000692535 [0,2,0,0,0,0|2,0,0]=4 27521 B14R1.14 Nc1ccc(nc1)OCCOCCO 34a_100102662783_100000211926 [0,2,0,0,0,0|2,0,0]=4 27522 B14R1.14 Nc1ccc(nc1)SCCCCCF 62a_100000729378_100000737798 [0,2,0,0,0,0|2,0,0]=4 27523 B14R1.14 Nc1ccc(nc1)SCCCCCF 62a_100000737798_100000729378 [0,2,0,0,0,0|2,0,0]=4 27524 B14R1.14 Nc1ccc(nc1)SCCCCCO 62a_100000737798_100000746330 [0,2,0,0,0,0|1,0,0]=3 27525 B14R1.14 Nc1ccc(nc1)SCCCCCO 62a_100000746330_100000737798 [0,2,0,0,0,0|1,0,0]=3 27526 B14R1.14 Nc1ccc(nc1)SCCOCCO 62a_100000737798_100011215305 [0,2,0,0,0,0|2,0,0]=4 27527 B14R1.14 Nc1ccc(nc1)SCCOCCO 62a_100011215305_100000737798 [0,2,0,0,0,0|2,0,0]=4 27528 B14R1.14 Nc1ccc(nn1)SCCCCCO 62a_100000746330_100010219413 [0,2,0,0,0,0|2,0,0]=4 27529 B14R1.14 Nc1ccc(nn1)SCCCCCO 62a_100010219413_100000746330 [0,2,0,0,0,0|2,0,0]=4 27530 B14R1.14 Nc1cnc(cn1)SCCCCCO 62a_100000744751_100000746330 [0,2,0,0,0,0|2,0,0]=4 27531 B14R1.14 Nc1cnc(cn1)SCCCCCO 62a_100000746330_100000744751 [0,2,0,0,0,0|2,0,0]=4 27532 B14R1.14 Nc1cnc(nc1)SCCCCCO 62a_100000068403_100000746330 [0,2,0,0,0,0|2,0,0]=4 27533 B14R1.14 Nc1cnc(nc1)SCCCCCO 62a_100000746330_100000068403 [0,2,0,0,0,0|2,0,0]=4 27534 B14R1.14 Nc1ncc(cn1)OCCCCCO 34a_100000087137_100000746330 [0,2,0,0,0,0|2,0,0]=4 27535 B14R1.14 Nc1ncc(cn1)OCCCCCO 7a_100000087137_100000746330 [0,2,0,0,0,0|2,0,0]=4 27536 B14R1.14 Nc1ncc(cn1)SCCCCCO 62a_100000746330_100000766020 [0,2,0,0,0,0|2,0,0]=4 27537 B14R1.14 Nc1ncc(cn1)SCCCCCO 62a_100000766020_100000746330 [0,2,0,0,0,0|2,0,0]=4 27538 B14R1.14 O=CCCCCNc1ccc(cc1)Br 2230a_100000210018_100000139335 [0,2,0,0,0,0|0,0,2]=4 27539 B14R1.14 O=CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000139335 [0,2,0,0,0,0|0,0,2]=4 27540 B14R1.14 O=CCCCCOc1ccc(cc1)Br 7a_100000185759_100000139335 [0,2,0,0,0,0|0,0,2]=4 27541 B14R1.14 O=CCCCCOc1ccc(cc1)Cl 7a_100000210216_100000139335 [0,2,0,0,0,0|0,0,2]=4 27542 B14R1.14 O=CCCCCOc1ccc(cc1)I 7a_100000212066_100000139335 [0,2,0,0,0,0|0,0,2]=4 27543 B14R1.14 O=CCCCCSc1ccc(cc1)Br 62a_100000139335_100000752885 [0,2,0,0,0,0|0,0,2]=4 27544 B14R1.14 O=CCCCCSc1ccc(cc1)Br 62a_100000752885_100000139335 [0,2,0,0,0,0|0,0,2]=4 27545 B14R1.14 O=CCCCCSc1ccc(cc1)Cl 62a_100000139335_100000755918 [0,2,0,0,0,0|0,0,2]=4 27546 B14R1.14 O=CCCCCSc1ccc(cc1)Cl 62a_100000755918_100000139335 [0,2,0,0,0,0|0,0,2]=4 27547 B14R1.14 O=CCCCCSc1ccc(cc1)F 62a_100000139335_100000211213 [0,2,0,0,0,0|0,0,2]=4 27548 B14R1.14 O=CCCCCSc1ccc(cc1)F 62a_100000211213_100000139335 [0,2,0,0,0,0|0,0,2]=4 27549 B14R1.14 O=CCCCCSc1ccc(cc1)O 62a_100000139335_100000185759 [0,2,0,0,0,0|0,0,2]=4 27550 B14R1.14 O=CCCCNCc1ccc(cc1)Br 2230a_100000174875_200011292268 [0,2,0,0,0,0|0,0,2]=4 27551 B14R1.14 O=CCCCNCc1ccc(cc1)Cl 2230a_100000174871_200011292268 [0,2,0,0,0,0|0,0,2]=4 27552 B14R1.14 O=CCCCNCc1ccc(cc1)F 2230a_100000174882_200011292268 [0,2,0,0,0,0|0,0,2]=4 27553 B14R1.14 O=CCCCNCc1ccc(cc1)I 2230a_100016989417_200011292268 [0,2,0,0,0,0|0,0,2]=4 27554 B14R1.14 O=CCCCOCc1ccc(cc1)Cl 7a_100000211118_200011292268 [0,2,0,0,0,0|0,0,2]=4 27555 B14R1.14 O=CCCCOCc1ccc(cc1)F 7a_100000210977_200011292268 [0,2,0,0,0,0|0,0,2]=4 27556 B14R1.14 O=CCCCOCc1ccc(cc1)I 7a_100000690907_200011292268 [0,2,0,0,0,0|0,0,2]=4 27557 B14R1.14 O=CCCCSCc1ccc(cc1)Br 62a_100000189115_200011292268 [0,2,0,0,0,0|0,0,2]=4 27558 B14R1.14 O=CCCCSCc1ccc(cc1)Br 62a_200011292268_100000189115 [0,2,0,0,0,0|0,0,2]=4 27559 B14R1.14 O=CCCCSCc1ccc(cc1)Cl 62a_100000187161_200011292268 [0,2,0,0,0,0|0,0,2]=4 27560 B14R1.14 O=CCCCSCc1ccc(cc1)Cl 62a_200011292268_100000187161 [0,2,0,0,0,0|0,0,2]=4 27561 B14R1.14 O=CCCCSCc1ccc(cc1)F 62a_100000198546_200011292268 [0,2,0,0,0,0|0,0,2]=4 27562 B14R1.14 O=CCCCSCc1ccc(cc1)F 62a_200011292268_100000187164 [0,2,0,0,0,0|0,0,2]=4 27563 B14R1.14 O=CCCCSCc1ccc(cc1)I 62a_100000189116_200011292268 [0,2,0,0,0,0|0,0,2]=4 27564 B14R1.14 O=CCCCSCc1ccc(cc1)I 62a_200011292268_100000189116 [0,2,0,0,0,0|0,0,2]=4 27565 B14R1.14 O=CCNCCCc1ccc(cc1)Br 2230a_100011297623_200015260668 [0,2,0,0,0,0|0,0,2]=4 27566 B14R1.14 O=CCNCCCc1ccc(cc1)Br 34a_100011297623_200009817547 [0,2,0,0,0,0|0,0,2]=4 27567 B14R1.14 O=CCNCCCc1ccc(cc1)Cl 2230a_100000748451_200015260668 [0,2,0,0,0,0|0,0,2]=4 27568 B14R1.14 O=CCNCCCc1ccc(cc1)Cl 34a_100000748451_200009817547 [0,2,0,0,0,0|0,0,2]=4 27569 B14R1.14 O=CCNCCCc1ccc(cc1)F 2230a_100025745824_200015260668 [0,2,0,0,0,0|0,0,2]=4 27570 B14R1.14 O=CCNCCCc1ccc(cc1)F 34a_100025745824_200009817547 [0,2,0,0,0,0|0,0,2]=4 27571 B14R1.14 O=CCOCCCc1ccc(cc1)Br 34a_100011709247_200009817547 [0,2,0,0,0,0|0,0,2]=4 27572 B14R1.14 O=CCOCCCc1ccc(cc1)Br 7a_100011709247_200015260668 [0,2,0,0,0,0|0,0,2]=4 27573 B14R1.14 O=CCOCCCc1ccc(cc1)Cl 34a_100011217485_200009817547 [0,2,0,0,0,0|0,0,2]=4 27574 B14R1.14 O=CCOCCCc1ccc(cc1)Cl 7a_100011217485_200015260668 [0,2,0,0,0,0|0,0,2]=4 27575 B14R1.14 O=CCOCCCc1ccc(cc1)F 34a_100000757351_200009817547 [0,2,0,0,0,0|0,0,2]=4 27576 B14R1.14 O=CCOCCCc1ccc(cc1)F 7a_100000757351_200015260668 [0,2,0,0,0,0|0,0,2]=4 27577 B14R1.14 O=CCSCCCc1ccc(cc1)Br 62a_100011713682_200015260668 [0,2,0,0,0,0|0,0,2]=4 27578 B14R1.14 O=CCSCCCc1ccc(cc1)Br 62a_200015260668_100011713682 [0,2,0,0,0,0|0,0,2]=4 27579 B14R1.14 O=CCSCCCc1ccc(cc1)Cl 62a_100000759440_200015260668 [0,2,0,0,0,0|0,0,2]=4 27580 B14R1.14 O=CCSCCCc1ccc(cc1)Cl 62a_200015260668_100000759440 [0,2,0,0,0,0|0,0,2]=4 27581 B14R1.14 O=CCSCCCc1ccc(cc1)F 62a_200011713563_200015260668 [0,2,0,0,0,0|0,0,2]=4 27582 B14R1.14 O=CCSCCCc1ccc(cc1)F 62a_200015260668_200011713563 [0,2,0,0,0,0|0,0,2]=4 27583 B14R1.14 O=c1ccc(c[nH]1)COCCCCF 34a_100011999846_100000729493 [0,2,0,0,0,0|2,0,0]=4 27584 B14R1.14 O=c1ccc(c[nH]1)COCCCCO 34a_100011999846_100011216708 [0,2,0,0,0,0|1,0,0]=3 27585 B14R1.14 O=c1ccc(c[nH]1)OCCCCCF 34a_100000075641_100000729378 [0,2,0,0,0,0|2,0,0]=4 27586 B14R1.14 O=c1ccc(c[nH]1)OCCCCCO 34a_100000075641_100000746330 [0,2,0,0,0,0|1,0,0]=3 27587 B14R1.14 O=c1ccc(c[nH]1)OCCOCCO 34a_100000075641_100000692535 [0,2,0,0,0,0|2,0,0]=4 27588 B14R1.14 O=c1ccc(c[nH]1)SCCCCCF 62a_100000212171_100000729378 [0,2,0,0,0,0|2,0,0]=4 27589 B14R1.14 O=c1ccc(c[nH]1)SCCCCCF 62a_100000729378_100000212171 [0,2,0,0,0,0|2,0,0]=4 27590 B14R1.14 O=c1ccc(c[nH]1)SCCCCCO 62a_100000212171_100000746330 [0,2,0,0,0,0|1,0,0]=3 27591 B14R1.14 O=c1ccc(c[nH]1)SCCCCCO 62a_100000746330_100000212171 [0,2,0,0,0,0|1,0,0]=3 27592 B14R1.14 O=c1ccc(c[nH]1)SCCOCCO 62a_100000212171_100011215305 [0,2,0,0,0,0|2,0,0]=4 27593 B14R1.14 O=c1ccc(c[nH]1)SCCOCCO 62a_100011215305_100000212171 [0,2,0,0,0,0|2,0,0]=4 27594 B14R1.14 O=c1ccc(n[nH]1)CNCCCCO 207a_100000750430_100011361533 [0,2,0,0,0,0|2,0,0]=4 27595 B14R1.14 O=c1ccc(n[nH]1)CNCCCCO 270004a_100000750430_100011361533 [0,2,0,0,0,0|2,0,0]=4 27596 B14R1.14 O=c1ccc(n[nH]1)SCCCCCO 62a_100000746330_100009820020 [0,2,0,0,0,0|2,0,0]=4 27597 B14R1.14 O=c1ccc(n[nH]1)SCCCCCO 62a_100009820020_100000746330 [0,2,0,0,0,0|2,0,0]=4 27598 B14R1.14 O=c1ncc(c[nH]1)SCCCCCO 62a_100000746330_102495366499 [0,2,0,0,0,0|2,0,0]=4 27599 B14R1.14 O=c1ncc(c[nH]1)SCCCCCO 62a_102495366499_100000746330 [0,2,0,0,0,0|2,0,0]=4 27600 B14R1.14 OCC#CCNCc1ccc(cc1)Br 2230a_100000174875_200000047223 [0,2,0,0,0,0|0,0,2]=4 27601 B14R1.14 OCC#CCNCc1ccc(cc1)Br 34a_100000174875_200000047223 [0,2,0,0,0,0|0,0,2]=4 27602 B14R1.14 OCC#CCNCc1ccc(cc1)Cl 2230a_100000174871_200000047223 [0,2,0,0,0,0|0,0,2]=4 27603 B14R1.14 OCC#CCNCc1ccc(cc1)Cl 34a_100000174871_200000047223 [0,2,0,0,0,0|0,0,2]=4 27604 B14R1.14 OCC#CCNCc1ccc(cc1)F 2230a_100000174882_200000047223 [0,2,0,0,0,0|0,0,2]=4 27605 B14R1.14 OCC#CCNCc1ccc(cc1)F 34a_100000174882_200000047223 [0,2,0,0,0,0|0,0,2]=4 27606 B14R1.14 OCC#CCNCc1ccc(cc1)I 2230a_100016989417_200000047223 [0,2,0,0,0,0|0,0,2]=4 27607 B14R1.14 OCC#CCNCc1ccc(cc1)I 34a_100016989417_200000047223 [0,2,0,0,0,0|0,0,2]=4 27608 B14R1.14 OCC#CCNCc1ccc(cc1)O 34a_100000185549_200000047223 [0,2,0,0,0,0|0,0,2]=4 27609 B14R1.14 OCC#CCOCc1ccc(cc1)Br 34a_100000695286_200000047223 [0,2,0,0,0,0|0,0,2]=4 27610 B14R1.14 OCC#CCOCc1ccc(cc1)Cl 34a_100000211118_200000047223 [0,2,0,0,0,0|0,0,2]=4 27611 B14R1.14 OCC#CCOCc1ccc(cc1)Cl 7a_100000211118_200000047223 [0,2,0,0,0,0|0,0,2]=4 27612 B14R1.14 OCC#CCOCc1ccc(cc1)F 34a_100000210977_200000047223 [0,2,0,0,0,0|0,0,2]=4 27613 B14R1.14 OCC#CCOCc1ccc(cc1)F 7a_100000210977_200000047223 [0,2,0,0,0,0|0,0,2]=4 27614 B14R1.14 OCC#CCOCc1ccc(cc1)I 34a_100000690907_200000047223 [0,2,0,0,0,0|0,0,2]=4 27615 B14R1.14 OCC#CCOCc1ccc(cc1)I 7a_100000690907_200000047223 [0,2,0,0,0,0|0,0,2]=4 27616 B14R1.14 OCC#CCSCc1ccc(cc1)Br 62a_100000189115_200000047223 [0,2,0,0,0,0|0,0,2]=4 27617 B14R1.14 OCC#CCSCc1ccc(cc1)Br 62a_200000047223_100000189115 [0,2,0,0,0,0|0,0,2]=4 27618 B14R1.14 OCC#CCSCc1ccc(cc1)Cl 62a_100000187161_200000047223 [0,2,0,0,0,0|0,0,2]=4 27619 B14R1.14 OCC#CCSCc1ccc(cc1)Cl 62a_200000047223_100000187161 [0,2,0,0,0,0|0,0,2]=4 27620 B14R1.14 OCC#CCSCc1ccc(cc1)F 62a_100000198546_200000047223 [0,2,0,0,0,0|0,0,2]=4 27621 B14R1.14 OCC#CCSCc1ccc(cc1)F 62a_200000047223_100000187164 [0,2,0,0,0,0|0,0,2]=4 27622 B14R1.14 OCC#CCSCc1ccc(cc1)I 62a_100000189116_200000047223 [0,2,0,0,0,0|0,0,2]=4 27623 B14R1.14 OCC#CCSCc1ccc(cc1)I 62a_200000047223_100000189116 [0,2,0,0,0,0|0,0,2]=4 27624 B14R1.14 OCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000746330 [0,2,0,0,0,0|0,0,0]=2 27625 B14R1.14 OCCCCCNc1ccc(cc1)Br 34a_100000210018_100000746330 [0,2,0,0,0,0|0,0,0]=2 27626 B14R1.14 OCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000746330 [0,2,0,0,0,0|0,0,0]=2 27627 B14R1.14 OCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000746330 [0,2,0,0,0,0|0,0,0]=2 27628 B14R1.14 OCCCCCNc1ccc(cc1)F 34a_100000185862_100000746330 [0,2,0,0,0,0|0,0,0]=2 27629 B14R1.14 OCCCCCNc1ccc(cc1)I 34a_100000185761_100000746330 [0,2,0,0,0,0|0,0,0]=2 27630 B14R1.14 OCCCCCNc1ccc(cc1)O 34a_100000185829_100000746330 [0,2,0,0,0,0|0,0,0]=2 27631 B14R1.14 OCCCCCNc1ccc(cn1)Br 27a_100000762737_100000686858 [0,2,0,0,0,0|1,0,0]=3 27632 B14R1.14 OCCCCCNc1cnc(cn1)Br 27a_100000762737_100010187541 [0,2,0,0,0,0|2,0,0]=4 27633 B14R1.14 OCCCCCNc1cnc(cn1)F 27a_100000762737_100009856528 [0,2,0,0,0,0|2,0,0]=4 27634 B14R1.14 OCCCCCNc1ncc(cn1)Br 27a_100000762737_100000690281 [0,2,0,0,0,0|2,0,0]=4 27635 B14R1.14 OCCCCCNc1ncc(cn1)Cl 27a_100000762737_100011356929 [0,2,0,0,0,0|2,0,0]=4 27636 B14R1.14 OCCCCCNc1ncc(cn1)F 27a_100000762737_100000685220 [0,2,0,0,0,0|2,0,0]=4 27637 B14R1.14 OCCCCCOc1ccc(cc1)Br 34a_100000185759_100000746330 [0,2,0,0,0,0|0,0,0]=2 27638 B14R1.14 OCCCCCOc1ccc(cc1)Br 7a_100000185759_100000746330 [0,2,0,0,0,0|0,0,0]=2 27639 B14R1.14 OCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000746330 [0,2,0,0,0,0|0,0,0]=2 27640 B14R1.14 OCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000746330 [0,2,0,0,0,0|0,0,0]=2 27641 B14R1.14 OCCCCCOc1ccc(cc1)F 34a_100000210339_100000746330 [0,2,0,0,0,0|0,0,0]=2 27642 B14R1.14 OCCCCCOc1ccc(cc1)I 34a_100000212066_100000746330 [0,2,0,0,0,0|0,0,0]=2 27643 B14R1.14 OCCCCCOc1ccc(cc1)I 7a_100000212066_100000746330 [0,2,0,0,0,0|0,0,0]=2 27644 B14R1.14 OCCCCCOc1ccc(cn1)Cl 34a_100011215309_100000746330 [0,2,0,0,0,0|1,0,0]=3 27645 B14R1.14 OCCCCCOc1ccc(cn1)F 34a_100000742473_100000746330 [0,2,0,0,0,0|1,0,0]=3 27646 B14R1.14 OCCCCCOc1ccc(nc1)Br 34a_100000685995_100000746330 [0,2,0,0,0,0|1,0,0]=3 27647 B14R1.14 OCCCCCOc1ccc(nc1)Br 7a_100000685995_100000746330 [0,2,0,0,0,0|1,0,0]=3 27648 B14R1.14 OCCCCCOc1ccc(nc1)Cl 34a_100000744096_100000746330 [0,2,0,0,0,0|1,0,0]=3 27649 B14R1.14 OCCCCCOc1ccc(nc1)Cl 7a_100000744096_100000746330 [0,2,0,0,0,0|1,0,0]=3 27650 B14R1.14 OCCCCCOc1ccc(nc1)F 34a_100000688820_100000746330 [0,2,0,0,0,0|1,0,0]=3 27651 B14R1.14 OCCCCCOc1ccc(nc1)F 7a_100000688820_100000746330 [0,2,0,0,0,0|1,0,0]=3 27652 B14R1.14 OCCCCCOc1ccc(nc1)I 34a_100000687607_100000746330 [0,2,0,0,0,0|1,0,0]=3 27653 B14R1.14 OCCCCCOc1ccc(nc1)I 7a_100000687607_100000746330 [0,2,0,0,0,0|1,0,0]=3 27654 B14R1.14 OCCCCCOc1cnc(cn1)Br 34a_100011934580_100000746330 [0,2,0,0,0,0|2,0,0]=4 27655 B14R1.14 OCCCCCOc1cnc(cn1)Cl 34a_100015839800_100000746330 [0,2,0,0,0,0|2,0,0]=4 27656 B14R1.14 OCCCCCOc1cnc(nc1)Br 34a_100000730009_100000746330 [0,2,0,0,0,0|2,0,0]=4 27657 B14R1.14 OCCCCCOc1cnc(nc1)Br 7a_100000730009_100000746330 [0,2,0,0,0,0|2,0,0]=4 27658 B14R1.14 OCCCCCOc1cnc(nc1)Cl 34a_100000092845_100000746330 [0,2,0,0,0,0|2,0,0]=4 27659 B14R1.14 OCCCCCOc1cnc(nc1)Cl 7a_100000092845_100000746330 [0,2,0,0,0,0|2,0,0]=4 27660 B14R1.14 OCCCCCOc1cnc(nc1)F 34a_200009874573_100000746330 [0,2,0,0,0,0|2,0,0]=4 27661 B14R1.14 OCCCCCOc1cnc(nc1)F 7a_200009874573_100000746330 [0,2,0,0,0,0|2,0,0]=4 27662 B14R1.14 OCCCCCOc1ncc(cn1)F 34a_100011934040_100000746330 [0,2,0,0,0,0|2,0,0]=4 27663 B14R1.14 OCCCCCSc1ccc(cc1)Br 62a_100000746330_100000752885 [0,2,0,0,0,0|0,0,0]=2 27664 B14R1.14 OCCCCCSc1ccc(cc1)Br 62a_100000752885_100000746330 [0,2,0,0,0,0|0,0,0]=2 27665 B14R1.14 OCCCCCSc1ccc(cc1)Cl 62a_100000746330_100000755918 [0,2,0,0,0,0|0,0,0]=2 27666 B14R1.14 OCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000746330 [0,2,0,0,0,0|0,0,0]=2 27667 B14R1.14 OCCCCCSc1ccc(cc1)F 62a_100000211213_100000746330 [0,2,0,0,0,0|0,0,0]=2 27668 B14R1.14 OCCCCCSc1ccc(cc1)F 62a_100000746330_100000211213 [0,2,0,0,0,0|0,0,0]=2 27669 B14R1.14 OCCCCCSc1ccc(cc1)O 62a_100000746330_100000185759 [0,2,0,0,0,0|0,0,0]=2 27670 B14R1.14 OCCCCCSc1ccc(cn1)Br 62a_100000686858_100000746330 [0,2,0,0,0,0|1,0,0]=3 27671 B14R1.14 OCCCCCSc1ccc(cn1)Br 62a_100000746330_100000686858 [0,2,0,0,0,0|1,0,0]=3 27672 B14R1.14 OCCCCCSc1ccc(cn1)Cl 62a_100000746330_100011356976 [0,2,0,0,0,0|1,0,0]=3 27673 B14R1.14 OCCCCCSc1ccc(cn1)Cl 62a_100011356976_100000746330 [0,2,0,0,0,0|1,0,0]=3 27674 B14R1.14 OCCCCCSc1ccc(cn1)F 62a_100000744514_100000746330 [0,2,0,0,0,0|1,0,0]=3 27675 B14R1.14 OCCCCCSc1ccc(cn1)F 62a_100000746330_100000744514 [0,2,0,0,0,0|1,0,0]=3 27676 B14R1.14 OCCCCCSc1ccc(cn1)O 62a_100000685995_100000746330 [0,2,0,0,0,0|1,0,0]=3 27677 B14R1.14 OCCCCCSc1ccc(cn1)O 62a_100000746330_100000744096 [0,2,0,0,0,0|1,0,0]=3 27678 B14R1.14 OCCCCCSc1ccc(nc1)Br 62a_100000746330_100009814638 [0,2,0,0,0,0|1,0,0]=3 27679 B14R1.14 OCCCCCSc1ccc(nc1)Br 62a_100009814638_100000746330 [0,2,0,0,0,0|1,0,0]=3 27680 B14R1.14 OCCCCCSc1ccc(nc1)Cl 62a_100000034144_100000746330 [0,2,0,0,0,0|1,0,0]=3 27681 B14R1.14 OCCCCCSc1ccc(nc1)Cl 62a_100000746330_100000034144 [0,2,0,0,0,0|1,0,0]=3 27682 B14R1.14 OCCCCCSc1ccc(nc1)F 62a_100000042367_100000746330 [0,2,0,0,0,0|1,0,0]=3 27683 B14R1.14 OCCCCCSc1ccc(nc1)F 62a_100000746330_100000042367 [0,2,0,0,0,0|1,0,0]=3 27684 B14R1.14 OCCCCCSc1ccc(nn1)Cl 62a_100000068654_100000746330 [0,2,0,0,0,0|2,0,0]=4 27685 B14R1.14 OCCCCCSc1ccc(nn1)Cl 62a_100000746330_100000068654 [0,2,0,0,0,0|2,0,0]=4 27686 B14R1.14 OCCCCCSc1cnc(cn1)Br 62a_100000746330_100010187541 [0,2,0,0,0,0|2,0,0]=4 27687 B14R1.14 OCCCCCSc1cnc(cn1)Br 62a_100010187541_100000746330 [0,2,0,0,0,0|2,0,0]=4 27688 B14R1.14 OCCCCCSc1cnc(cn1)Cl 62a_100000746330_100010214907 [0,2,0,0,0,0|2,0,0]=4 27689 B14R1.14 OCCCCCSc1cnc(cn1)Cl 62a_100010214907_100000746330 [0,2,0,0,0,0|2,0,0]=4 27690 B14R1.14 OCCCCCSc1cnc(cn1)F 62a_100000746330_100009856528 [0,2,0,0,0,0|2,0,0]=4 27691 B14R1.14 OCCCCCSc1cnc(cn1)F 62a_100009856528_100000746330 [0,2,0,0,0,0|2,0,0]=4 27692 B14R1.14 OCCCCCSc1cnc(cn1)O 62a_100000746330_100015839800 [0,2,0,0,0,0|2,0,0]=4 27693 B14R1.14 OCCCCCSc1cnc(cn1)O 62a_100011934580_100000746330 [0,2,0,0,0,0|2,0,0]=4 27694 B14R1.14 OCCCCCSc1cnc(nc1)Br 62a_100000746330_200012349914 [0,2,0,0,0,0|2,0,0]=4 27695 B14R1.14 OCCCCCSc1cnc(nc1)Br 62a_200012349914_100000746330 [0,2,0,0,0,0|2,0,0]=4 27696 B14R1.14 OCCCCCSc1cnc(nc1)Cl 62a_100000059775_100000746330 [0,2,0,0,0,0|2,0,0]=4 27697 B14R1.14 OCCCCCSc1cnc(nc1)Cl 62a_100000746330_100000059775 [0,2,0,0,0,0|2,0,0]=4 27698 B14R1.14 OCCCCCSc1cnc(nc1)F 62a_100000685262_100000746330 [0,2,0,0,0,0|2,0,0]=4 27699 B14R1.14 OCCCCCSc1cnc(nc1)F 62a_100000746330_100000685262 [0,2,0,0,0,0|2,0,0]=4 27700 B14R1.14 OCCCCCSc1ncc(cn1)Br 62a_100000690281_100000746330 [0,2,0,0,0,0|2,0,0]=4 27701 B14R1.14 OCCCCCSc1ncc(cn1)Br 62a_100000746330_100000690281 [0,2,0,0,0,0|2,0,0]=4 27702 B14R1.14 OCCCCCSc1ncc(cn1)Cl 62a_100000746330_100011356929 [0,2,0,0,0,0|2,0,0]=4 27703 B14R1.14 OCCCCCSc1ncc(cn1)Cl 62a_100011356929_100000746330 [0,2,0,0,0,0|2,0,0]=4 27704 B14R1.14 OCCCCCSc1ncc(cn1)F 62a_100000685220_100000746330 [0,2,0,0,0,0|2,0,0]=4 27705 B14R1.14 OCCCCCSc1ncc(cn1)F 62a_100000746330_100000685220 [0,2,0,0,0,0|2,0,0]=4 27706 B14R1.14 OCCCCCSc1ncc(cn1)O 62a_100000730009_100000746330 [0,2,0,0,0,0|2,0,0]=4 27707 B14R1.14 OCCCCCSc1ncc(cn1)O 62a_100000746330_100000092845 [0,2,0,0,0,0|2,0,0]=4 27708 B14R1.14 OCCCCNCc1ccc(cc1)Br 207a_100000750430_100000186029 [0,2,0,0,0,0|0,0,0]=2 27709 B14R1.14 OCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210776 [0,2,0,0,0,0|0,0,0]=2 27710 B14R1.14 OCCCCNCc1ccc(cc1)Br 2230a_100000750430_100011217064 [0,2,0,0,0,0|0,0,0]=2 27711 B14R1.14 OCCCCNCc1ccc(cc1)Br 270004a_100000750430_100000186029 [0,2,0,0,0,0|0,0,0]=2 27712 B14R1.14 OCCCCNCc1ccc(cc1)Br 34a_100000174875_100011216708 [0,2,0,0,0,0|0,0,0]=2 27713 B14R1.14 OCCCCNCc1ccc(cc1)Br 34a_100000750430_100000189115 [0,2,0,0,0,0|0,0,0]=2 27714 B14R1.14 OCCCCNCc1ccc(cc1)Cl 207a_100000750430_100000189385 [0,2,0,0,0,0|0,0,0]=2 27715 B14R1.14 OCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210776 [0,2,0,0,0,0|0,0,0]=2 27716 B14R1.14 OCCCCNCc1ccc(cc1)Cl 2230a_100000750430_100000694040 [0,2,0,0,0,0|0,0,0]=2 27717 B14R1.14 OCCCCNCc1ccc(cc1)Cl 270004a_100000750430_100000189385 [0,2,0,0,0,0|0,0,0]=2 27718 B14R1.14 OCCCCNCc1ccc(cc1)Cl 34a_100000174871_100011216708 [0,2,0,0,0,0|0,0,0]=2 27719 B14R1.14 OCCCCNCc1ccc(cc1)Cl 34a_100000750430_100000694040 [0,2,0,0,0,0|0,0,0]=2 27720 B14R1.14 OCCCCNCc1ccc(cc1)F 207a_100000750430_100000210084 [0,2,0,0,0,0|0,0,0]=2 27721 B14R1.14 OCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210776 [0,2,0,0,0,0|0,0,0]=2 27722 B14R1.14 OCCCCNCc1ccc(cc1)F 2230a_100000750430_100000198546 [0,2,0,0,0,0|0,0,0]=2 27723 B14R1.14 OCCCCNCc1ccc(cc1)F 270004a_100000750430_100000210084 [0,2,0,0,0,0|0,0,0]=2 27724 B14R1.14 OCCCCNCc1ccc(cc1)F 34a_100000174882_100011216708 [0,2,0,0,0,0|0,0,0]=2 27725 B14R1.14 OCCCCNCc1ccc(cc1)F 34a_100000750430_100000198546 [0,2,0,0,0,0|0,0,0]=2 27726 B14R1.14 OCCCCNCc1ccc(cc1)I 207a_100000750430_100000188517 [0,2,0,0,0,0|0,0,0]=2 27727 B14R1.14 OCCCCNCc1ccc(cc1)I 2230a_100000750430_100000189116 [0,2,0,0,0,0|0,0,0]=2 27728 B14R1.14 OCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210776 [0,2,0,0,0,0|0,0,0]=2 27729 B14R1.14 OCCCCNCc1ccc(cc1)I 34a_100000750430_100000189116 [0,2,0,0,0,0|0,0,0]=2 27730 B14R1.14 OCCCCNCc1ccc(cc1)I 34a_100016989417_100011216708 [0,2,0,0,0,0|0,0,0]=2 27731 B14R1.14 OCCCCNCc1ccc(cc1)O 34a_100000185549_100011216708 [0,2,0,0,0,0|0,0,0]=2 27732 B14R1.14 OCCCCNCc1ccc(cn1)Br 207a_100000750430_100000754260 [0,2,0,0,0,0|1,0,0]=3 27733 B14R1.14 OCCCCNCc1ccc(cn1)Br 2230a_100000750430_100000702658 [0,2,0,0,0,0|1,0,0]=3 27734 B14R1.14 OCCCCNCc1ccc(cn1)Br 270004a_100000750430_100000754260 [0,2,0,0,0,0|1,0,0]=3 27735 B14R1.14 OCCCCNCc1ccc(cn1)Br 34a_100000750430_100000702658 [0,2,0,0,0,0|1,0,0]=3 27736 B14R1.14 OCCCCNCc1ccc(cn1)Br 34a_100015188789_100011216708 [0,2,0,0,0,0|1,0,0]=3 27737 B14R1.14 OCCCCNCc1ccc(cn1)Cl 207a_100000750430_100011361569 [0,2,0,0,0,0|1,0,0]=3 27738 B14R1.14 OCCCCNCc1ccc(cn1)Cl 2230a_100000750430_100012066911 [0,2,0,0,0,0|1,0,0]=3 27739 B14R1.14 OCCCCNCc1ccc(cn1)Cl 270004a_100000750430_100011361569 [0,2,0,0,0,0|1,0,0]=3 27740 B14R1.14 OCCCCNCc1ccc(cn1)Cl 34a_100000697193_100011216708 [0,2,0,0,0,0|1,0,0]=3 27741 B14R1.14 OCCCCNCc1ccc(cn1)Cl 34a_100000750430_100012066911 [0,2,0,0,0,0|1,0,0]=3 27742 B14R1.14 OCCCCNCc1ccc(cn1)F 207a_100000750430_100011934744 [0,2,0,0,0,0|1,0,0]=3 27743 B14R1.14 OCCCCNCc1ccc(cn1)F 2230a_100000750430_100000703193 [0,2,0,0,0,0|1,0,0]=3 27744 B14R1.14 OCCCCNCc1ccc(cn1)F 270004a_100000750430_100011934744 [0,2,0,0,0,0|1,0,0]=3 27745 B14R1.14 OCCCCNCc1ccc(cn1)F 34a_100000750430_100000703193 [0,2,0,0,0,0|1,0,0]=3 27746 B14R1.14 OCCCCNCc1ccc(cn1)F 34a_100020620131_100011216708 [0,2,0,0,0,0|1,0,0]=3 27747 B14R1.14 OCCCCNCc1ccc(nc1)Br 2230a_100000750430_100009831999 [0,2,0,0,0,0|1,0,0]=3 27748 B14R1.14 OCCCCNCc1ccc(nc1)Br 2230a_100009817727_100000210776 [0,2,0,0,0,0|1,0,0]=3 27749 B14R1.14 OCCCCNCc1ccc(nc1)Br 34a_100000750430_100009831999 [0,2,0,0,0,0|1,0,0]=3 27750 B14R1.14 OCCCCNCc1ccc(nc1)Br 34a_100009817727_100011216708 [0,2,0,0,0,0|1,0,0]=3 27751 B14R1.14 OCCCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210776 [0,2,0,0,0,0|1,0,0]=3 27752 B14R1.14 OCCCCNCc1ccc(nc1)Cl 2230a_100000750430_100000735431 [0,2,0,0,0,0|1,0,0]=3 27753 B14R1.14 OCCCCNCc1ccc(nc1)Cl 34a_100000735879_100011216708 [0,2,0,0,0,0|1,0,0]=3 27754 B14R1.14 OCCCCNCc1ccc(nc1)Cl 34a_100000750430_100000735431 [0,2,0,0,0,0|1,0,0]=3 27755 B14R1.14 OCCCCNCc1ccc(nc1)F 2230a_100000101913_100000210776 [0,2,0,0,0,0|1,0,0]=3 27756 B14R1.14 OCCCCNCc1ccc(nc1)F 2230a_100000750430_100009820150 [0,2,0,0,0,0|1,0,0]=3 27757 B14R1.14 OCCCCNCc1ccc(nc1)F 34a_100000101913_100011216708 [0,2,0,0,0,0|1,0,0]=3 27758 B14R1.14 OCCCCNCc1ccc(nc1)F 34a_100000750430_100000099788 [0,2,0,0,0,0|1,0,0]=3 27759 B14R1.14 OCCCCNCc1ccc(nc1)O 207a_100000750430_100011361521 [0,2,0,0,0,0|1,0,0]=3 27760 B14R1.14 OCCCCNCc1ccc(nc1)O 2230a_100000757128_100000210776 [0,2,0,0,0,0|1,0,0]=3 27761 B14R1.14 OCCCCNCc1ccc(nn1)Cl 2230a_100000750430_100016992710 [0,2,0,0,0,0|2,0,0]=4 27762 B14R1.14 OCCCCNCc1ccc(nn1)Cl 270004a_100000750430_100000044651 [0,2,0,0,0,0|2,0,0]=4 27763 B14R1.14 OCCCCNCc1ccc(nn1)Cl 34a_100000750430_100016992710 [0,2,0,0,0,0|2,0,0]=4 27764 B14R1.14 OCCCCNCc1cnc(cn1)Cl 270004a_100000750430_100012001714 [0,2,0,0,0,0|2,0,0]=4 27765 B14R1.14 OCCCCNCc1ncc(cn1)Br 34a_100000750430_100010064664 [0,2,0,0,0,0|2,0,0]=4 27766 B14R1.14 OCCCCOCc1ccc(cc1)Br 34a_100000695286_100011216708 [0,2,0,0,0,0|0,0,0]=2 27767 B14R1.14 OCCCCOCc1ccc(cc1)Cl 34a_100000211118_100011216708 [0,2,0,0,0,0|0,0,0]=2 27768 B14R1.14 OCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210776 [0,2,0,0,0,0|0,0,0]=2 27769 B14R1.14 OCCCCOCc1ccc(cc1)F 34a_100000210977_100011216708 [0,2,0,0,0,0|0,0,0]=2 27770 B14R1.14 OCCCCOCc1ccc(cc1)F 7a_100000210977_100000210776 [0,2,0,0,0,0|0,0,0]=2 27771 B14R1.14 OCCCCOCc1ccc(cc1)I 34a_100000690907_100011216708 [0,2,0,0,0,0|0,0,0]=2 27772 B14R1.14 OCCCCOCc1ccc(cc1)I 7a_100000690907_100000210776 [0,2,0,0,0,0|0,0,0]=2 27773 B14R1.14 OCCCCOCc1ccc(cn1)Br 34a_100000754261_100011216708 [0,2,0,0,0,0|1,0,0]=3 27774 B14R1.14 OCCCCOCc1ccc(cn1)Cl 34a_100000703999_100011216708 [0,2,0,0,0,0|1,0,0]=3 27775 B14R1.14 OCCCCOCc1ccc(cn1)F 34a_100011999454_100011216708 [0,2,0,0,0,0|1,0,0]=3 27776 B14R1.14 OCCCCOCc1ccc(nc1)Br 34a_100009816760_100011216708 [0,2,0,0,0,0|1,0,0]=3 27777 B14R1.14 OCCCCOCc1ccc(nc1)Br 7a_100009816760_100000210776 [0,2,0,0,0,0|1,0,0]=3 27778 B14R1.14 OCCCCOCc1ccc(nc1)Cl 34a_100000755211_100011216708 [0,2,0,0,0,0|1,0,0]=3 27779 B14R1.14 OCCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210776 [0,2,0,0,0,0|1,0,0]=3 27780 B14R1.14 OCCCCOCc1ccc(nc1)F 34a_100000079959_100011216708 [0,2,0,0,0,0|1,0,0]=3 27781 B14R1.14 OCCCCOCc1cnc(cn1)Cl 34a_100012002382_100011216708 [0,2,0,0,0,0|2,0,0]=4 27782 B14R1.14 OCCCCOCc1cnc(nc1)Cl 34a_100009855073_100011216708 [0,2,0,0,0,0|2,0,0]=4 27783 B14R1.14 OCCCCOCc1cnc(nc1)Cl 7a_100009855073_100000210776 [0,2,0,0,0,0|2,0,0]=4 27784 B14R1.14 OCCCCSCc1ccc(cc1)Br 62a_100000189115_100000210776 [0,2,0,0,0,0|0,0,0]=2 27785 B14R1.14 OCCCCSCc1ccc(cc1)Br 62a_100000210776_100000189115 [0,2,0,0,0,0|0,0,0]=2 27786 B14R1.14 OCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210776 [0,2,0,0,0,0|0,0,0]=2 27787 B14R1.14 OCCCCSCc1ccc(cc1)Cl 62a_100000210776_100000187161 [0,2,0,0,0,0|0,0,0]=2 27788 B14R1.14 OCCCCSCc1ccc(cc1)F 62a_100000198546_100000210776 [0,2,0,0,0,0|0,0,0]=2 27789 B14R1.14 OCCCCSCc1ccc(cc1)F 62a_100000210776_100000187164 [0,2,0,0,0,0|0,0,0]=2 27790 B14R1.14 OCCCCSCc1ccc(cc1)I 62a_100000189116_100000210776 [0,2,0,0,0,0|0,0,0]=2 27791 B14R1.14 OCCCCSCc1ccc(cc1)I 62a_100000210776_100000189116 [0,2,0,0,0,0|0,0,0]=2 27792 B14R1.14 OCCCCSCc1ccc(cn1)Br 62a_100000210776_100000702658 [0,2,0,0,0,0|1,0,0]=3 27793 B14R1.14 OCCCCSCc1ccc(cn1)Br 62a_100000702658_100000210776 [0,2,0,0,0,0|1,0,0]=3 27794 B14R1.14 OCCCCSCc1ccc(cn1)Cl 62a_100000210776_100000697101 [0,2,0,0,0,0|1,0,0]=3 27795 B14R1.14 OCCCCSCc1ccc(cn1)Cl 62a_100012066911_100000210776 [0,2,0,0,0,0|1,0,0]=3 27796 B14R1.14 OCCCCSCc1ccc(cn1)F 62a_100000210776_100000703193 [0,2,0,0,0,0|1,0,0]=3 27797 B14R1.14 OCCCCSCc1ccc(cn1)F 62a_100000703193_100000210776 [0,2,0,0,0,0|1,0,0]=3 27798 B14R1.14 OCCCCSCc1ccc(nc1)Br 62a_100000210776_100009831999 [0,2,0,0,0,0|1,0,0]=3 27799 B14R1.14 OCCCCSCc1ccc(nc1)Br 62a_100009831999_100000210776 [0,2,0,0,0,0|1,0,0]=3 27800 B14R1.14 OCCCCSCc1ccc(nc1)Cl 62a_100000210776_100000735431 [0,2,0,0,0,0|1,0,0]=3 27801 B14R1.14 OCCCCSCc1ccc(nc1)Cl 62a_100000735431_100000210776 [0,2,0,0,0,0|1,0,0]=3 27802 B14R1.14 OCCCCSCc1ccc(nc1)F 62a_100000210776_100000099788 [0,2,0,0,0,0|1,0,0]=3 27803 B14R1.14 OCCCCSCc1ccc(nc1)F 62a_100009820150_100000210776 [0,2,0,0,0,0|1,0,0]=3 27804 B14R1.14 OCCCCSCc1ccc(nn1)Cl 62a_100000210776_100016992710 [0,2,0,0,0,0|2,0,0]=4 27805 B14R1.14 OCCCCSCc1ccc(nn1)Cl 62a_100016992710_100000210776 [0,2,0,0,0,0|2,0,0]=4 27806 B14R1.14 OCCCCSCc1ncc(cn1)Br 62a_100000210776_100010064664 [0,2,0,0,0,0|2,0,0]=4 27807 B14R1.14 OCCCCSCc1ncc(cn1)Br 62a_100010064664_100000210776 [0,2,0,0,0,0|2,0,0]=4 27808 B14R1.14 OCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000230001 [0,2,0,0,0,0|0,0,0]=2 27809 B14R1.14 OCCCNCCc1ccc(cc1)Br 34a_100000755846_100000230001 [0,2,0,0,0,0|0,0,0]=2 27810 B14R1.14 OCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000230001 [0,2,0,0,0,0|0,0,0]=2 27811 B14R1.14 OCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000230001 [0,2,0,0,0,0|0,0,0]=2 27812 B14R1.14 OCCCNCCc1ccc(cc1)F 2230a_100000199005_100000230001 [0,2,0,0,0,0|0,0,0]=2 27813 B14R1.14 OCCCNCCc1ccc(cc1)F 34a_100000199005_100000230001 [0,2,0,0,0,0|0,0,0]=2 27814 B14R1.14 OCCCNCCc1ccc(cc1)O 34a_100000743037_100000230001 [0,2,0,0,0,0|0,0,0]=2 27815 B14R1.14 OCCCOCCc1ccc(cc1)Br 34a_100000766406_100000230001 [0,2,0,0,0,0|0,0,0]=2 27816 B14R1.14 OCCCOCCc1ccc(cc1)Br 7a_100000766406_100011215043 [0,2,0,0,0,0|0,0,0]=2 27817 B14R1.14 OCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000230001 [0,2,0,0,0,0|0,0,0]=2 27818 B14R1.14 OCCCOCCc1ccc(cc1)Cl 7a_100011219627_100011215043 [0,2,0,0,0,0|0,0,0]=2 27819 B14R1.14 OCCCOCCc1ccc(cc1)F 34a_100000754732_100000230001 [0,2,0,0,0,0|0,0,0]=2 27820 B14R1.14 OCCCOCCc1ccc(cc1)F 7a_100000754732_100011215043 [0,2,0,0,0,0|0,0,0]=2 27821 B14R1.14 OCCCOCCc1ccc(cc1)I 34a_100012291149_100000230001 [0,2,0,0,0,0|0,0,0]=2 27822 B14R1.14 OCCCOCCc1ccc(cc1)I 7a_100012291149_100011215043 [0,2,0,0,0,0|0,0,0]=2 27823 B14R1.14 OCCCOCCc1ccc(cn1)Br 34a_100012357577_100000230001 [0,2,0,0,0,0|1,0,0]=3 27824 B14R1.14 OCCCOCCc1ccc(nc1)Cl 34a_100009880866_100000230001 [0,2,0,0,0,0|1,0,0]=3 27825 B14R1.14 OCCCOCCc1ccc(nc1)Cl 7a_100009880866_100011215043 [0,2,0,0,0,0|1,0,0]=3 27826 B14R1.14 OCCCSCCc1ccc(cc1)Br 62a_100011215043_100011740612 [0,2,0,0,0,0|0,0,0]=2 27827 B14R1.14 OCCCSCCc1ccc(cc1)Br 62a_100011740612_100011215043 [0,2,0,0,0,0|0,0,0]=2 27828 B14R1.14 OCCCSCCc1ccc(cc1)Cl 62a_100011215043_100011713675 [0,2,0,0,0,0|0,0,0]=2 27829 B14R1.14 OCCCSCCc1ccc(cc1)Cl 62a_100011713675_100011215043 [0,2,0,0,0,0|0,0,0]=2 27830 B14R1.14 OCCCSCCc1ccc(cc1)F 62a_100011215043_100011217392 [0,2,0,0,0,0|0,0,0]=2 27831 B14R1.14 OCCCSCCc1ccc(cc1)F 62a_100011217392_100011215043 [0,2,0,0,0,0|0,0,0]=2 27832 B14R1.14 OCCCSCCc1ccc(cc1)O 62a_100009816426_100011215043 [0,2,0,0,0,0|0,0,0]=2 27833 B14R1.14 OCCCSCCc1ccc(cc1)O 62a_100011215043_100009816426 [0,2,0,0,0,0|0,0,0]=2 27834 B14R1.14 OCCNCC#Cc1ccc(cc1)Br 2230a_100016997473_100010706785 [0,2,0,0,0,0|0,0,2]=4 27835 B14R1.14 OCCNCC#Cc1ccc(cc1)Br 34a_100016990907_100010706785 [0,2,0,0,0,0|0,0,2]=4 27836 B14R1.14 OCCNCC#Cc1ccc(cc1)Cl 2230a_100011352944_100000211926 [0,2,0,0,0,0|0,0,2]=4 27837 B14R1.14 OCCNCC#Cc1ccc(cc1)Cl 34a_100011352944_100000211926 [0,2,0,0,0,0|0,0,2]=4 27838 B14R1.14 OCCNCC#Cc1ccc(cc1)F 2230a_100016997473_100010402171 [0,2,0,0,0,0|0,0,2]=4 27839 B14R1.14 OCCNCC#Cc1ccc(cc1)F 34a_100016990907_100010402171 [0,2,0,0,0,0|0,0,2]=4 27840 B14R1.14 OCCNCC=Cc1ccc(cc1)Br 270004a_100000210304_100016291818 [0,2,0,0,0,0|0,0,2]=4 27841 B14R1.14 OCCNCC=Cc1ccc(cc1)Cl 270004a_100000210304_100102525842 [0,2,0,0,0,0|0,0,2]=4 27842 B14R1.14 OCCNCC=Cc1ccc(cc1)F 270004a_100000210304_100016272083 [0,2,0,0,0,0|0,0,2]=4 27843 B14R1.14 OCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000211926 [0,2,0,0,0,0|0,0,0]=2 27844 B14R1.14 OCCNCCCc1ccc(cc1)Br 2230a_100016997473_100011713682 [0,2,0,0,0,0|0,0,0]=2 27845 B14R1.14 OCCNCCCc1ccc(cc1)Br 34a_100011297623_100000211926 [0,2,0,0,0,0|0,0,0]=2 27846 B14R1.14 OCCNCCCc1ccc(cc1)Br 34a_100016990907_100011713682 [0,2,0,0,0,0|0,0,0]=2 27847 B14R1.14 OCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000211926 [0,2,0,0,0,0|0,0,0]=2 27848 B14R1.14 OCCNCCCc1ccc(cc1)Cl 2230a_100016997473_100000759440 [0,2,0,0,0,0|0,0,0]=2 27849 B14R1.14 OCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000211926 [0,2,0,0,0,0|0,0,0]=2 27850 B14R1.14 OCCNCCCc1ccc(cc1)Cl 34a_100016990907_100000759440 [0,2,0,0,0,0|0,0,0]=2 27851 B14R1.14 OCCNCCCc1ccc(cc1)F 2230a_100016997473_200011713563 [0,2,0,0,0,0|0,0,0]=2 27852 B14R1.14 OCCNCCCc1ccc(cc1)F 2230a_100025745824_100000211926 [0,2,0,0,0,0|0,0,0]=2 27853 B14R1.14 OCCNCCCc1ccc(cc1)F 34a_100016990907_200011713563 [0,2,0,0,0,0|0,0,0]=2 27854 B14R1.14 OCCNCCCc1ccc(cc1)F 34a_100025745824_100000211926 [0,2,0,0,0,0|0,0,0]=2 27855 B14R1.14 OCCNCCOc1ccc(cc1)Br 2230a_100000746992_100000211926 [0,2,0,0,0,0|1,0,0]=3 27856 B14R1.14 OCCNCCOc1ccc(cc1)Br 2230a_100016997473_100000183278 [0,2,0,0,0,0|1,0,0]=3 27857 B14R1.14 OCCNCCOc1ccc(cc1)Br 34a_100000746992_100000211926 [0,2,0,0,0,0|1,0,0]=3 27858 B14R1.14 OCCNCCOc1ccc(cc1)Br 34a_100016990907_100000183278 [0,2,0,0,0,0|1,0,0]=3 27859 B14R1.14 OCCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000211926 [0,2,0,0,0,0|1,0,0]=3 27860 B14R1.14 OCCNCCOc1ccc(cc1)Cl 2230a_100016997473_100000184122 [0,2,0,0,0,0|1,0,0]=3 27861 B14R1.14 OCCNCCOc1ccc(cc1)Cl 34a_100000697975_100000211926 [0,2,0,0,0,0|1,0,0]=3 27862 B14R1.14 OCCNCCOc1ccc(cc1)Cl 34a_100016990907_100000184122 [0,2,0,0,0,0|1,0,0]=3 27863 B14R1.14 OCCNCCOc1ccc(cc1)F 2230a_100000737420_100000211926 [0,2,0,0,0,0|1,0,0]=3 27864 B14R1.14 OCCNCCOc1ccc(cc1)F 2230a_100016997473_100000184936 [0,2,0,0,0,0|1,0,0]=3 27865 B14R1.14 OCCNCCOc1ccc(cc1)F 34a_100000737420_100000211926 [0,2,0,0,0,0|1,0,0]=3 27866 B14R1.14 OCCNCCOc1ccc(cc1)F 34a_100016990907_100000184936 [0,2,0,0,0,0|1,0,0]=3 27867 B14R1.14 OCCNCCSc1ccc(cc1)Br 2230a_100000184645_100000211926 [0,2,0,0,0,0|1,0,0]=3 27868 B14R1.14 OCCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000211926 [0,2,0,0,0,0|1,0,0]=3 27869 B14R1.14 OCCNN=CCc1ccc(cc1)Br 4a_100000210001_100011361690 [0,2,0,0,0,0|1,0,1]=4 27870 B14R1.14 OCCNN=CCc1ccc(cc1)Cl 4a_100000210001_100000730895 [0,2,0,0,0,0|1,0,1]=4 27871 B14R1.14 OCCNN=CCc1ccc(cc1)F 4a_100000210001_100000684651 [0,2,0,0,0,0|1,0,1]=4 27872 B14R1.14 OCCOCC#Cc1ccc(cc1)Br 34a_100009814260_100000211926 [0,2,0,0,0,0|0,0,2]=4 27873 B14R1.14 OCCOCC#Cc1ccc(cc1)Br 7a_100009814260_100000211926 [0,2,0,0,0,0|0,0,2]=4 27874 B14R1.14 OCCOCC#Cc1ccc(cc1)F 34a_100011219116_100000211926 [0,2,0,0,0,0|0,0,2]=4 27875 B14R1.14 OCCOCC#Cc1ccc(cc1)F 7a_100011219116_100000211926 [0,2,0,0,0,0|0,0,2]=4 27876 B14R1.14 OCCOCCCc1ccc(cc1)Br 34a_100011709247_100000211926 [0,2,0,0,0,0|0,0,0]=2 27877 B14R1.14 OCCOCCCc1ccc(cc1)Br 7a_100011709247_100000211926 [0,2,0,0,0,0|0,0,0]=2 27878 B14R1.14 OCCOCCCc1ccc(cc1)Cl 34a_100011217485_100000211926 [0,2,0,0,0,0|0,0,0]=2 27879 B14R1.14 OCCOCCCc1ccc(cc1)Cl 7a_100011217485_100000211926 [0,2,0,0,0,0|0,0,0]=2 27880 B14R1.14 OCCOCCCc1ccc(cc1)F 34a_100000757351_100000211926 [0,2,0,0,0,0|0,0,0]=2 27881 B14R1.14 OCCOCCCc1ccc(cc1)F 7a_100000757351_100000211926 [0,2,0,0,0,0|0,0,0]=2 27882 B14R1.14 OCCOCCNc1ccc(cc1)Br 2230a_100000210018_100011215305 [0,2,0,0,0,0|1,0,0]=3 27883 B14R1.14 OCCOCCNc1ccc(cc1)Br 34a_100000210018_100000692535 [0,2,0,0,0,0|1,0,0]=3 27884 B14R1.14 OCCOCCNc1ccc(cc1)Cl 2230a_100000210052_100011215305 [0,2,0,0,0,0|1,0,0]=3 27885 B14R1.14 OCCOCCNc1ccc(cc1)Cl 34a_100000210052_100000692535 [0,2,0,0,0,0|1,0,0]=3 27886 B14R1.14 OCCOCCNc1ccc(cc1)F 34a_100000185862_100000692535 [0,2,0,0,0,0|1,0,0]=3 27887 B14R1.14 OCCOCCNc1ccc(cc1)I 34a_100000185761_100000692535 [0,2,0,0,0,0|1,0,0]=3 27888 B14R1.14 OCCOCCNc1ccc(cc1)O 34a_100000185829_100000692535 [0,2,0,0,0,0|1,0,0]=3 27889 B14R1.14 OCCOCCNc1ccc(cn1)Br 27a_100000211614_100000686858 [0,2,0,0,0,0|2,0,0]=4 27890 B14R1.14 OCCOCCNc1ccc(cn1)O 271570a_203496583355_100000725950 [0,2,0,0,0,0|2,0,0]=4 27891 B14R1.14 OCCOCCOc1ccc(cc1)Br 34a_100000185759_100000692535 [0,2,0,0,0,0|1,0,0]=3 27892 B14R1.14 OCCOCCOc1ccc(cc1)Br 34a_100000686261_100000211926 [0,2,0,0,0,0|1,0,0]=3 27893 B14R1.14 OCCOCCOc1ccc(cc1)Br 7a_100000185759_100011215305 [0,2,0,0,0,0|1,0,0]=3 27894 B14R1.14 OCCOCCOc1ccc(cc1)Br 7a_100000686261_100000211926 [0,2,0,0,0,0|1,0,0]=3 27895 B14R1.14 OCCOCCOc1ccc(cc1)Cl 34a_100000210216_100000692535 [0,2,0,0,0,0|1,0,0]=3 27896 B14R1.14 OCCOCCOc1ccc(cc1)Cl 34a_100000237962_100000211926 [0,2,0,0,0,0|1,0,0]=3 27897 B14R1.14 OCCOCCOc1ccc(cc1)Cl 7a_100000210216_100011215305 [0,2,0,0,0,0|1,0,0]=3 27898 B14R1.14 OCCOCCOc1ccc(cc1)Cl 7a_100000237962_100000211926 [0,2,0,0,0,0|1,0,0]=3 27899 B14R1.14 OCCOCCOc1ccc(cc1)F 34a_100000210339_100000692535 [0,2,0,0,0,0|1,0,0]=3 27900 B14R1.14 OCCOCCOc1ccc(cc1)I 34a_100000212066_100000692535 [0,2,0,0,0,0|1,0,0]=3 27901 B14R1.14 OCCOCCOc1ccc(cc1)I 7a_100000212066_100011215305 [0,2,0,0,0,0|1,0,0]=3 27902 B14R1.14 OCCOCCOc1ccc(cn1)Cl 34a_100011215309_100000692535 [0,2,0,0,0,0|2,0,0]=4 27903 B14R1.14 OCCOCCOc1ccc(cn1)F 34a_100000742473_100000692535 [0,2,0,0,0,0|2,0,0]=4 27904 B14R1.14 OCCOCCOc1ccc(nc1)Br 34a_100000685995_100000692535 [0,2,0,0,0,0|2,0,0]=4 27905 B14R1.14 OCCOCCOc1ccc(nc1)Br 34a_200013150534_100000211926 [0,2,0,0,0,0|2,0,0]=4 27906 B14R1.14 OCCOCCOc1ccc(nc1)Br 7a_100000685995_100011215305 [0,2,0,0,0,0|2,0,0]=4 27907 B14R1.14 OCCOCCOc1ccc(nc1)Br 7a_200013150534_100000211926 [0,2,0,0,0,0|2,0,0]=4 27908 B14R1.14 OCCOCCOc1ccc(nc1)Cl 34a_100000744096_100000692535 [0,2,0,0,0,0|2,0,0]=4 27909 B14R1.14 OCCOCCOc1ccc(nc1)Cl 7a_100000744096_100011215305 [0,2,0,0,0,0|2,0,0]=4 27910 B14R1.14 OCCOCCOc1ccc(nc1)F 34a_100000688820_100000692535 [0,2,0,0,0,0|2,0,0]=4 27911 B14R1.14 OCCOCCOc1ccc(nc1)F 7a_100000688820_100011215305 [0,2,0,0,0,0|2,0,0]=4 27912 B14R1.14 OCCOCCOc1ccc(nc1)I 34a_100000687607_100000692535 [0,2,0,0,0,0|2,0,0]=4 27913 B14R1.14 OCCOCCOc1ccc(nc1)I 7a_100000687607_100011215305 [0,2,0,0,0,0|2,0,0]=4 27914 B14R1.14 OCCOCCSc1ccc(cc1)Br 62a_100000752885_100011215305 [0,2,0,0,0,0|1,0,0]=3 27915 B14R1.14 OCCOCCSc1ccc(cc1)Br 62a_100011215305_100000752885 [0,2,0,0,0,0|1,0,0]=3 27916 B14R1.14 OCCOCCSc1ccc(cc1)Cl 34a_100000230527_100000211926 [0,2,0,0,0,0|1,0,0]=3 27917 B14R1.14 OCCOCCSc1ccc(cc1)Cl 62a_100000755918_100011215305 [0,2,0,0,0,0|1,0,0]=3 27918 B14R1.14 OCCOCCSc1ccc(cc1)Cl 62a_100011215305_100000755918 [0,2,0,0,0,0|1,0,0]=3 27919 B14R1.14 OCCOCCSc1ccc(cc1)Cl 7a_100000230527_100000211926 [0,2,0,0,0,0|1,0,0]=3 27920 B14R1.14 OCCOCCSc1ccc(cc1)F 34a_200000230679_100000211926 [0,2,0,0,0,0|1,0,0]=3 27921 B14R1.14 OCCOCCSc1ccc(cc1)F 62a_100000211213_100011215305 [0,2,0,0,0,0|1,0,0]=3 27922 B14R1.14 OCCOCCSc1ccc(cc1)F 62a_100011215305_100000211213 [0,2,0,0,0,0|1,0,0]=3 27923 B14R1.14 OCCOCCSc1ccc(cc1)F 7a_200000230679_100000211926 [0,2,0,0,0,0|1,0,0]=3 27924 B14R1.14 OCCOCCSc1ccc(cc1)O 62a_100011215305_100000185759 [0,2,0,0,0,0|1,0,0]=3 27925 B14R1.14 OCCOCCSc1ccc(cn1)Br 62a_100000686858_100011215305 [0,2,0,0,0,0|2,0,0]=4 27926 B14R1.14 OCCOCCSc1ccc(cn1)Br 62a_100011215305_100000686858 [0,2,0,0,0,0|2,0,0]=4 27927 B14R1.14 OCCOCCSc1ccc(cn1)Cl 62a_100011215305_100011356976 [0,2,0,0,0,0|2,0,0]=4 27928 B14R1.14 OCCOCCSc1ccc(cn1)Cl 62a_100011356976_100011215305 [0,2,0,0,0,0|2,0,0]=4 27929 B14R1.14 OCCOCCSc1ccc(cn1)F 62a_100000744514_100011215305 [0,2,0,0,0,0|2,0,0]=4 27930 B14R1.14 OCCOCCSc1ccc(cn1)F 62a_100011215305_100000744514 [0,2,0,0,0,0|2,0,0]=4 27931 B14R1.14 OCCOCCSc1ccc(cn1)O 62a_100000685995_100011215305 [0,2,0,0,0,0|2,0,0]=4 27932 B14R1.14 OCCOCCSc1ccc(cn1)O 62a_100011215305_100000744096 [0,2,0,0,0,0|2,0,0]=4 27933 B14R1.14 OCCOCCSc1ccc(nc1)Br 62a_100009814638_100011215305 [0,2,0,0,0,0|2,0,0]=4 27934 B14R1.14 OCCOCCSc1ccc(nc1)Br 62a_100011215305_100009814638 [0,2,0,0,0,0|2,0,0]=4 27935 B14R1.14 OCCOCCSc1ccc(nc1)Cl 62a_100000034144_100011215305 [0,2,0,0,0,0|2,0,0]=4 27936 B14R1.14 OCCOCCSc1ccc(nc1)Cl 62a_100011215305_100000034144 [0,2,0,0,0,0|2,0,0]=4 27937 B14R1.14 OCCOCCSc1ccc(nc1)F 62a_100000042367_100011215305 [0,2,0,0,0,0|2,0,0]=4 27938 B14R1.14 OCCOCCSc1ccc(nc1)F 62a_100011215305_100000042367 [0,2,0,0,0,0|2,0,0]=4 27939 B14R1.14 OCCSCC#Cc1ccc(cc1)Br 62a_100000211926_100010706785 [0,2,0,0,0,0|0,0,2]=4 27940 B14R1.14 OCCSCC#Cc1ccc(cc1)Br 62a_100010706785_100000211926 [0,2,0,0,0,0|0,0,2]=4 27941 B14R1.14 OCCSCC#Cc1ccc(cc1)F 62a_100000211926_100010402171 [0,2,0,0,0,0|0,0,2]=4 27942 B14R1.14 OCCSCC#Cc1ccc(cc1)F 62a_100010402171_100000211926 [0,2,0,0,0,0|0,0,2]=4 27943 B14R1.14 OCCSCCCc1ccc(cc1)Br 62a_100000211926_100011713682 [0,2,0,0,0,0|0,0,0]=2 27944 B14R1.14 OCCSCCCc1ccc(cc1)Br 62a_100011713682_100000211926 [0,2,0,0,0,0|0,0,0]=2 27945 B14R1.14 OCCSCCCc1ccc(cc1)Cl 62a_100000211926_100000759440 [0,2,0,0,0,0|0,0,0]=2 27946 B14R1.14 OCCSCCCc1ccc(cc1)Cl 62a_100000759440_100000211926 [0,2,0,0,0,0|0,0,0]=2 27947 B14R1.14 OCCSCCCc1ccc(cc1)F 62a_100000211926_200011713563 [0,2,0,0,0,0|0,0,0]=2 27948 B14R1.14 OCCSCCCc1ccc(cc1)F 62a_200011713563_100000211926 [0,2,0,0,0,0|0,0,0]=2 27949 B14R1.14 OCCSCCNc1ccc(cn1)Br 27a_100011219999_100000686858 [0,2,0,0,0,0|2,0,0]=4 27950 B14R1.14 OCCSCCOc1ccc(cc1)Br 62a_100000183278_100000211926 [0,2,0,0,0,0|1,0,0]=3 27951 B14R1.14 OCCSCCOc1ccc(cc1)Br 62a_100000211926_100000183278 [0,2,0,0,0,0|1,0,0]=3 27952 B14R1.14 OCCSCCOc1ccc(cc1)Cl 62a_100000184122_100000211926 [0,2,0,0,0,0|1,0,0]=3 27953 B14R1.14 OCCSCCOc1ccc(cc1)Cl 62a_100000211926_100000184122 [0,2,0,0,0,0|1,0,0]=3 27954 B14R1.14 OCCSCCOc1ccc(cc1)F 62a_100000184936_100000211926 [0,2,0,0,0,0|1,0,0]=3 27955 B14R1.14 OCCSCCOc1ccc(cc1)F 62a_100000211926_100000184936 [0,2,0,0,0,0|1,0,0]=3 27956 B14R1.14 Oc1ccc(cc1)CCNCCCF 2230a_100015189416_100009816426 [0,2,0,0,0,0|1,0,0]=3 27957 B14R1.14 Oc1ccc(cc1)CCNCCCF 34a_100000743037_100011934791 [0,2,0,0,0,0|1,0,0]=3 27958 B14R1.14 Oc1ccc(cc1)CCSCCCF 62a_100009816426_100011934791 [0,2,0,0,0,0|1,0,0]=3 27959 B14R1.14 Oc1ccc(cc1)CCSCCCF 62a_100011934791_100009816426 [0,2,0,0,0,0|1,0,0]=3 27960 B14R1.14 Oc1ccc(cc1)CNCCCCF 34a_100000185549_100000729493 [0,2,0,0,0,0|1,0,0]=3 27961 B14R1.14 Oc1ccc(cc1)NCCCCCF 34a_100000185829_100000729378 [0,2,0,0,0,0|1,0,0]=3 27962 B14R1.14 Oc1ccc(cc1)SCCCCCF 62a_100000729378_100000185759 [0,2,0,0,0,0|1,0,0]=3 27963 B14R1.14 Oc1ccc(cn1)CNCCCCF 2230a_100000757128_100000729493 [0,2,0,0,0,0|2,0,0]=4 27964 B14R1.14 Oc1ccc(nc1)SCCCCCF 62a_100000685995_100000729378 [0,2,0,0,0,0|2,0,0]=4 27965 B14R1.14 Oc1ccc(nc1)SCCCCCF 62a_100000729378_100000744096 [0,2,0,0,0,0|2,0,0]=4 27966 B14R1.14 [13CH3]NCCCCOc1ccc(cc1)Cl 2230a_100000707269_200025704644 [0,2,0,0,0,0|2,0,0]=4 27967 B14R1.14 [13CH3]NCCCCOc1ccc(cc1)Cl 34a_100000707269_200025704644 [0,2,0,0,0,0|2,0,0]=4 27968 B14R1.14 [13CH3]NCCCSCc1ccc(cc1)Cl 2230a_100000189522_200025704644 [0,2,0,0,0,0|2,0,0]=4 27969 B14R1.14 [13CH3]NCCCSCc1ccc(cc1)Cl 34a_100000189522_200025704644 [0,2,0,0,0,0|2,0,0]=4 27970 B14R1.14 [13CH3]NCCCSCc1ccc(cc1)Cl 7a_100000189522_200025704644 [0,2,0,0,0,0|2,0,0]=4 27971 B14R1.14 [13CH3]NCCCSCc1ccc(cc1)F 2230a_100012017345_200025704644 [0,2,0,0,0,0|2,0,0]=4 27972 B14R1.14 [13CH3]NCCCSCc1ccc(cc1)F 34a_100012017345_200025704644 [0,2,0,0,0,0|2,0,0]=4 27973 B14R1.14 [13CH3]NCCCSCc1ccc(cc1)F 7a_100012017345_200025704644 [0,2,0,0,0,0|2,0,0]=4 27974 B14R1.14 [13CH3]OCCCNCc1ccc(cc1)Cl 34a_100015186341_200025704644 [0,2,0,0,0,0|1,0,0]=3 27975 B14R1.14 [13CH3]OCCCNCc1ccc(cc1)F 34a_100000180847_200025704644 [0,2,0,0,0,0|1,0,0]=3 27976 B14R1.14 [13CH3]SCCCCOc1ccc(cc1)Br 62a_100011270094_200025704644 [0,2,0,0,0,0|1,1,0]=4 27977 B14R1.14 [13CH3]SCCCCOc1ccc(cc1)Br 62a_200025704644_100011270094 [0,2,0,0,0,0|1,1,0]=4 27978 B14R1.14 [13CH3]SCCCCOc1ccc(cc1)Cl 62a_100011270096_200025704644 [0,2,0,0,0,0|1,1,0]=4 27979 B14R1.14 [13CH3]SCCCCOc1ccc(cc1)Cl 62a_200025704644_100011270096 [0,2,0,0,0,0|1,1,0]=4 27980 B14R1.14 [O-][n+]1ccc(cc1)COCCCCF 34a_100000031831_100000729493 [0,2,0,0,0,0|2,0,0]=4 27981 B14R1.14 [O-][n+]1ccc(cc1)COCCCCF 7a_100000031831_100000729493 [0,2,0,0,0,0|2,0,0]=4 27982 B14R1.14 [O-][n+]1ccc(cc1)COCCCCO 34a_100000031831_100011216708 [0,2,0,0,0,0|1,0,0]=3 27983 B14R1.14 [O-][n+]1ccc(cc1)COCCCCO 7a_100000031831_100000210776 [0,2,0,0,0,0|1,0,0]=3 27984 B14R1.14 [O-][n+]1ccc(cc1)SCCCCCF 62a_100000729378_100000039755 [0,2,0,0,0,0|2,0,0]=4 27985 B14R1.14 [O-][n+]1ccc(cc1)SCCCCCO 62a_100000746330_100000039755 [0,2,0,0,0,0|1,0,0]=3 27986 B14R1.14 [O-][n+]1ccc(cc1)SCCOCCO 62a_100011215305_100000039755 [0,2,0,0,0,0|2,0,0]=4 27987 B14R1.19 CC(CNCCF)c1ccc(cc1)O 34a_200015188644_100011217306 [0,2,0,0,0,0|2,0,0]=4 27988 B14R1.19 CC(CNCCO)c1ccc(cc1)O 34a_200015188644_100000211926 [0,2,0,0,0,0|1,0,0]=3 27989 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 2230a_100015189416_100000755118 [0,2,0,0,0,0|2,0,0]=4 27990 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 269862a_100015189416_100000185794 [0,2,0,0,0,0|2,0,0]=4 27991 B14R1.19 CC(NCCCF)c1ccc(cc1)Br 34a_100015189416_100000755118 [0,2,0,0,0,0|2,0,0]=4 27992 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 2230a_100015189416_100000684792 [0,2,0,0,0,0|2,0,0]=4 27993 B14R1.19 CC(NCCCF)c1ccc(cc1)Cl 269862a_100015189416_100000185797 [0,2,0,0,0,0|2,0,0]=4 27994 B14R1.19 CC(NCCCF)c1ccc(cc1)F 2230a_100015189416_100000743420 [0,2,0,0,0,0|2,0,0]=4 27995 B14R1.19 CC(NCCCF)c1ccc(cc1)F 269862a_100015189416_100000185800 [0,2,0,0,0,0|2,0,0]=4 27996 B14R1.19 CC(NCCCF)c1ccc(cc1)F 34a_100015189416_100000743420 [0,2,0,0,0,0|2,0,0]=4 27997 B14R1.19 CC(NCCCF)c1ccc(cc1)I 269862a_100015189416_100000185465 [0,2,0,0,0,0|2,0,0]=4 27998 B14R1.19 CC(NCCCO)c1cc[n+](cc1)[O-] 269862a_100000182051_100000076990 [0,2,0,0,0,0|2,0,0]=4 27999 B14R1.19 CC(NCCCO)c1ccc(cc1)Br 269862a_100000182051_100000185794 [0,2,0,0,0,0|1,0,0]=3 28000 B14R1.19 CC(NCCCO)c1ccc(cc1)Cl 269862a_100000182051_100000185797 [0,2,0,0,0,0|1,0,0]=3 28001 B14R1.19 CC(NCCCO)c1ccc(cc1)F 269862a_100000182051_100000185800 [0,2,0,0,0,0|1,0,0]=3 28002 B14R1.19 CC(NCCCO)c1ccc(cc1)I 269862a_100000182051_100000185465 [0,2,0,0,0,0|1,0,0]=3 28003 B14R1.19 CC(NCCCO)c1ccc(cn1)Br 2230a_100000723930_100000230001 [0,2,0,0,0,0|2,0,0]=4 28004 B14R1.19 CC(NCCCO)c1ccc(cn1)Br 269862a_100000182051_100000686046 [0,2,0,0,0,0|2,0,0]=4 28005 B14R1.19 CC(NCCCO)c1ccc(cn1)Br 270004a_100000182051_100000686046 [0,2,0,0,0,0|2,0,0]=4 28006 B14R1.19 CC(NCCCO)c1ccc(cn1)Cl 269862a_100000182051_100000692432 [0,2,0,0,0,0|2,0,0]=4 28007 B14R1.19 CC(NCCCO)c1ccc(cn1)Cl 270004a_100000182051_100000692432 [0,2,0,0,0,0|2,0,0]=4 28008 B14R1.19 CC(NCCCO)c1ccc(cn1)F 269862a_100000182051_100102946652 [0,2,0,0,0,0|2,0,0]=4 28009 B14R1.19 CC(NCCCO)c1ccc(cn1)F 270004a_100000182051_100102946652 [0,2,0,0,0,0|2,0,0]=4 28010 B14R1.19 CC(NCCCO)c1ccc(nc1)Br 269862a_100000182051_100000684857 [0,2,0,0,0,0|2,0,0]=4 28011 B14R1.19 CC(NCCCO)c1ccc(nc1)Cl 269862a_100000182051_100000690552 [0,2,0,0,0,0|2,0,0]=4 28012 B14R1.19 CC(NCCCO)c1ccc(nc1)F 269862a_100000182051_100000085738 [0,2,0,0,0,0|2,0,0]=4 28013 B14R1.19 CC(OCCCBr)c1ccc(cc1)Br 34a_100011217188_100000755118 [0,2,0,0,0,0|2,0,0]=4 28014 B14R1.19 CC(OCCCBr)c1ccc(cc1)F 34a_100011217188_100000743420 [0,2,0,0,0,0|2,0,0]=4 28015 B14R1.19 CC(OCCCCl)c1ccc(cc1)Br 34a_100000230001_100000755118 [0,2,0,0,0,0|2,0,0]=4 28016 B14R1.19 CC(OCCCCl)c1ccc(cc1)F 34a_100000230001_100000743420 [0,2,0,0,0,0|2,0,0]=4 28017 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 34a_100000745893_100011934791 [0,2,0,0,0,0|2,0,0]=4 28018 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 34a_100000759539_100000755118 [0,2,0,0,0,0|2,0,0]=4 28019 B14R1.19 CC(OCCCF)c1ccc(cc1)Br 7a_100000745893_100011934791 [0,2,0,0,0,0|2,0,0]=4 28020 B14R1.19 CC(OCCCF)c1ccc(cc1)F 34a_100000181323_100011934791 [0,2,0,0,0,0|2,0,0]=4 28021 B14R1.19 CC(OCCCF)c1ccc(cc1)F 34a_100000759539_100000743420 [0,2,0,0,0,0|2,0,0]=4 28022 B14R1.19 CC(OCCCF)c1ccc(cc1)F 7a_100000181323_100011934791 [0,2,0,0,0,0|2,0,0]=4 28023 B14R1.19 CC(OCCCF)c1ccc(cc1)N 34a_100011216399_100011934791 [0,2,0,0,0,0|2,0,0]=4 28024 B14R1.19 CC(OCCCN)c1ccc(cc1)Br 34a_100000182051_100000755118 [0,2,0,0,0,0|2,0,0]=4 28025 B14R1.19 CC(OCCCN)c1ccc(cc1)F 34a_100000182051_100000743420 [0,2,0,0,0,0|2,0,0]=4 28026 B14R1.19 CC(OCCCO)c1ccc(cc1)Br 34a_100000745893_100000230001 [0,2,0,0,0,0|1,0,0]=3 28027 B14R1.19 CC(OCCCO)c1ccc(cc1)Br 7a_100000745893_100011215043 [0,2,0,0,0,0|1,0,0]=3 28028 B14R1.19 CC(OCCCO)c1ccc(cc1)F 34a_100000181323_100000230001 [0,2,0,0,0,0|1,0,0]=3 28029 B14R1.19 CC(OCCCO)c1ccc(cc1)F 7a_100000181323_100011215043 [0,2,0,0,0,0|1,0,0]=3 28030 B14R1.19 CC(OCCCO)c1ccc(cc1)N 34a_100011216399_100000230001 [0,2,0,0,0,0|1,0,0]=3 28031 B14R1.19 CC(OCCCO)c1ccc(cn1)Br 34a_100012353650_100000230001 [0,2,0,0,0,0|2,0,0]=4 28032 B14R1.19 CC(OCCCO)c1ccc(cn1)Br 7a_100012353650_100011215043 [0,2,0,0,0,0|2,0,0]=4 28033 B14R1.19 CC(OCCCO)c1ccc(nc1)Br 34a_200010274204_100000230001 [0,2,0,0,0,0|2,0,0]=4 28034 B14R1.19 CC(OCCCO)c1ccc(nc1)Br 7a_200010274204_100011215043 [0,2,0,0,0,0|2,0,0]=4 28035 B14R1.19 CC(OCCCO)c1ccc(nc1)Cl 34a_200012017543_100000230001 [0,2,0,0,0,0|2,0,0]=4 28036 B14R1.19 CC(OCCCO)c1ccc(nc1)Cl 7a_200012017543_100011215043 [0,2,0,0,0,0|2,0,0]=4 28037 B14R1.19 CC(SCCCF)c1ccc(cc1)Br 62a_100000755118_100011934791 [0,2,0,0,0,0|2,0,0]=4 28038 B14R1.19 CC(SCCCF)c1ccc(cc1)Br 62a_100011934791_100000755118 [0,2,0,0,0,0|2,0,0]=4 28039 B14R1.19 CC(SCCCF)c1ccc(cc1)Cl 62a_100000684792_100011934791 [0,2,0,0,0,0|2,0,0]=4 28040 B14R1.19 CC(SCCCF)c1ccc(cc1)Cl 62a_100011934791_100000684792 [0,2,0,0,0,0|2,0,0]=4 28041 B14R1.19 CC(SCCCF)c1ccc(cc1)F 62a_100000743420_100011934791 [0,2,0,0,0,0|2,0,0]=4 28042 B14R1.19 CC(SCCCF)c1ccc(cc1)F 62a_100011934791_100000743420 [0,2,0,0,0,0|2,0,0]=4 28043 B14R1.19 CC(SCCCO)c1ccc(cc1)Br 62a_100000755118_100011215043 [0,2,0,0,0,0|1,0,0]=3 28044 B14R1.19 CC(SCCCO)c1ccc(cc1)Br 62a_100011215043_100000755118 [0,2,0,0,0,0|1,0,0]=3 28045 B14R1.19 CC(SCCCO)c1ccc(cc1)Cl 62a_100000684792_100011215043 [0,2,0,0,0,0|1,0,0]=3 28046 B14R1.19 CC(SCCCO)c1ccc(cc1)Cl 62a_100011215043_100000684792 [0,2,0,0,0,0|1,0,0]=3 28047 B14R1.19 CC(SCCCO)c1ccc(cc1)F 62a_100000743420_100011215043 [0,2,0,0,0,0|1,0,0]=3 28048 B14R1.19 CC(SCCCO)c1ccc(cc1)F 62a_100011215043_100000743420 [0,2,0,0,0,0|1,0,0]=3 28049 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [0,2,0,0,0,0|1,0,1]=4 28050 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [0,2,0,0,0,0|1,0,1]=4 28051 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [0,2,0,0,0,0|1,0,1]=4 28052 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [0,2,0,0,0,0|1,0,1]=4 28053 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [0,2,0,0,0,0|1,0,1]=4 28054 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [0,2,0,0,0,0|1,0,1]=4 28055 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [0,2,0,0,0,0|1,0,1]=4 28056 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210326 [0,2,0,0,0,0|2,0,0]=4 28057 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210215 [0,2,0,0,0,0|2,0,0]=4 28058 B14R1.19 CCCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000718602 [0,2,0,0,0,0|2,0,0]=4 28059 B14R1.19 CCCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210326 [0,2,0,0,0,0|2,0,0]=4 28060 B14R1.19 CCCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210215 [0,2,0,0,0,0|2,0,0]=4 28061 B14R1.19 CCCCCN(C)c1ccc(cc1)C 34a_100000219977_100000718602 [0,2,0,0,0,0|2,0,0]=4 28062 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210326 [0,2,0,0,0,0|2,0,0]=4 28063 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210215 [0,2,0,0,0,0|2,0,0]=4 28064 B14R1.19 CCCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000718602 [0,2,0,0,0,0|2,0,0]=4 28065 B14R1.19 CCCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210326 [0,2,0,0,0,0|2,0,0]=4 28066 B14R1.19 CCCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210215 [0,2,0,0,0,0|2,0,0]=4 28067 B14R1.19 CCCCCN(C)c1ccc(cc1)F 34a_100000219829_100000718602 [0,2,0,0,0,0|2,0,0]=4 28068 B14R1.19 CCCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210326 [0,2,0,0,0,0|2,0,0]=4 28069 B14R1.19 CCCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210215 [0,2,0,0,0,0|2,0,0]=4 28070 B14R1.19 CCCCCN(C)c1ccc(cc1)I 34a_100000743151_100000718602 [0,2,0,0,0,0|2,0,0]=4 28071 B14R1.19 CCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210215 [0,2,0,0,0,0|2,0,0]=4 28072 B14R1.19 CCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000718602 [0,2,0,0,0,0|2,0,0]=4 28073 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 2230a_100000102301_100000755118 [0,2,0,0,0,0|2,0,0]=4 28074 B14R1.19 CCCCNC(C)c1ccc(cc1)Br 269862a_100000102301_100000185794 [0,2,0,0,0,0|2,0,0]=4 28075 B14R1.19 CCCCNC(C)c1ccc(cc1)C 2230a_100000102301_100011261388 [0,2,0,0,0,0|2,0,0]=4 28076 B14R1.19 CCCCNC(C)c1ccc(cc1)C 269862a_100000102301_100000185793 [0,2,0,0,0,0|2,0,0]=4 28077 B14R1.19 CCCCNC(C)c1ccc(cc1)C 7a_106832991798_100011261388 [0,2,0,0,0,0|2,0,0]=4 28078 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 2230a_100000102301_100000684792 [0,2,0,0,0,0|2,0,0]=4 28079 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 269862a_100000102301_100000185797 [0,2,0,0,0,0|2,0,0]=4 28080 B14R1.19 CCCCNC(C)c1ccc(cc1)Cl 7a_106832991798_100000684792 [0,2,0,0,0,0|2,0,0]=4 28081 B14R1.19 CCCCNC(C)c1ccc(cc1)F 2230a_100000102301_100000743420 [0,2,0,0,0,0|2,0,0]=4 28082 B14R1.19 CCCCNC(C)c1ccc(cc1)F 269862a_100000102301_100000185800 [0,2,0,0,0,0|2,0,0]=4 28083 B14R1.19 CCCCNC(C)c1ccc(cc1)F 7a_106832991798_100000743420 [0,2,0,0,0,0|2,0,0]=4 28084 B14R1.19 CCCCNC(C)c1ccc(cc1)I 269862a_100000102301_100000185465 [0,2,0,0,0,0|2,0,0]=4 28085 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210211 [0,2,0,0,0,0|2,0,0]=4 28086 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210210 [0,2,0,0,0,0|2,0,0]=4 28087 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210211 [0,2,0,0,0,0|2,0,0]=4 28088 B14R1.19 CCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210211 [0,2,0,0,0,0|2,0,0]=4 28089 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210211 [0,2,0,0,0,0|2,0,0]=4 28090 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210211 [0,2,0,0,0,0|2,0,0]=4 28091 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210210 [0,2,0,0,0,0|2,0,0]=4 28092 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210211 [0,2,0,0,0,0|2,0,0]=4 28093 B14R1.19 CCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210210 [0,2,0,0,0,0|2,0,0]=4 28094 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000210227_100000755118 [0,2,0,0,0,0|2,0,0]=4 28095 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210210 [0,2,0,0,0,0|2,0,0]=4 28096 B14R1.19 CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210211 [0,2,0,0,0,0|2,0,0]=4 28097 B14R1.19 CCCCOC(C)c1ccc(cc1)C 34a_100000210227_100011261388 [0,2,0,0,0,0|2,0,0]=4 28098 B14R1.19 CCCCOC(C)c1ccc(cc1)C 7a_100000210227_100011261388 [0,2,0,0,0,0|2,0,0]=4 28099 B14R1.19 CCCCOC(C)c1ccc(cc1)Cl 7a_100000210227_100000684792 [0,2,0,0,0,0|2,0,0]=4 28100 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210210 [0,2,0,0,0,0|2,0,0]=4 28101 B14R1.19 CCCCOC(C)c1ccc(cc1)F 34a_100000210227_100000743420 [0,2,0,0,0,0|2,0,0]=4 28102 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210211 [0,2,0,0,0,0|2,0,0]=4 28103 B14R1.19 CCCCOC(C)c1ccc(cc1)F 7a_100000210227_100000743420 [0,2,0,0,0,0|2,0,0]=4 28104 B14R1.19 CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210210 [0,2,0,0,0,0|2,0,0]=4 28105 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210210 [0,2,0,0,0,0|2,0,0]=4 28106 B14R1.19 CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210211 [0,2,0,0,0,0|2,0,0]=4 28107 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210210 [0,2,0,0,0,0|2,0,0]=4 28108 B14R1.19 CCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210211 [0,2,0,0,0,0|2,0,0]=4 28109 B14R1.19 CCCCSC(C)c1ccc(cc1)Br 62a_100000210211_100000755118 [0,2,0,0,0,0|2,0,0]=4 28110 B14R1.19 CCCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210210 [0,2,0,0,0,0|2,0,0]=4 28111 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100000210211_100011261388 [0,2,0,0,0,0|2,0,0]=4 28112 B14R1.19 CCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210210 [0,2,0,0,0,0|2,0,0]=4 28113 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000210211_100000684792 [0,2,0,0,0,0|2,0,0]=4 28114 B14R1.19 CCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210210 [0,2,0,0,0,0|2,0,0]=4 28115 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000210211_100000743420 [0,2,0,0,0,0|2,0,0]=4 28116 B14R1.19 CCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210210 [0,2,0,0,0,0|2,0,0]=4 28117 B14R1.19 CCCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210303 [0,2,0,0,0,0|2,0,0]=4 28118 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210303 [0,2,0,0,0,0|2,0,0]=4 28119 B14R1.19 CCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210303 [0,2,0,0,0,0|2,0,0]=4 28120 B14R1.19 CCCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210303 [0,2,0,0,0,0|2,0,0]=4 28121 B14R1.19 CCCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210303 [0,2,0,0,0,0|2,0,0]=4 28122 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210303 [0,2,0,0,0,0|2,0,0]=4 28123 B14R1.19 CCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210303 [0,2,0,0,0,0|2,0,0]=4 28124 B14R1.19 CCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210303 [0,2,0,0,0,0|2,0,0]=4 28125 B14R1.19 CCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210303 [0,2,0,0,0,0|2,0,0]=4 28126 B14R1.19 CCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210303 [0,2,0,0,0,0|2,0,0]=4 28127 B14R1.19 CCCOCC(O)c1ccc(cc1)Cl 34a_100000210258_200011996143 [0,2,0,0,0,0|2,0,0]=4 28128 B14R1.19 CCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210303 [0,2,0,0,0,0|2,0,0]=4 28129 B14R1.19 CCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210303 [0,2,0,0,0,0|2,0,0]=4 28130 B14R1.19 CCCOC[C@H](O)c1ccc(cc1)F 34a_100000210258_100000720402 [0,2,0,0,0,0|2,0,0]=4 28131 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_100000210303_200011996143 [0,2,0,0,0,0|2,0,0]=4 28132 B14R1.19 CCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210303 [0,2,0,0,0,0|2,0,0]=4 28133 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000210303_100000720402 [0,2,0,0,0,0|2,0,0]=4 28134 B14R1.19 CCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210303 [0,2,0,0,0,0|2,0,0]=4 28135 B14R1.19 CCOCCC(N)c1ccc(cc1)C 34a_100011661551_100000210202 [0,2,0,0,0,0|2,0,0]=4 28136 B14R1.19 CCOCCC(N)c1ccc(cc1)Cl 34a_100000730317_100000210202 [0,2,0,0,0,0|2,0,0]=4 28137 B14R1.19 CCOCCC(N)c1ccc(cc1)F 34a_100000752280_100000210202 [0,2,0,0,0,0|2,0,0]=4 28138 B14R1.19 CCOCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_100000210202 [0,2,0,0,0,0|2,0,0]=4 28139 B14R1.19 CCOCC[C@H](N)c1ccc(cc1)N 34a_200020642056_100000210202 [0,2,0,0,0,0|2,0,0]=4 28140 B14R1.19 CN(CCCCF)c1ccc(cc1)Br 2230a_100000219623_100000729493 [0,2,0,0,0,0|2,0,0]=4 28141 B14R1.19 CN(CCCCF)c1ccc(cc1)Br 269982a_100000219623_100000729493 [0,2,0,0,0,0|2,0,0]=4 28142 B14R1.19 CN(CCCCF)c1ccc(cc1)Br 34a_100000219623_100000729493 [0,2,0,0,0,0|2,0,0]=4 28143 B14R1.19 CN(CCCCF)c1ccc(cc1)Cl 2230a_100020629279_100000729493 [0,2,0,0,0,0|2,0,0]=4 28144 B14R1.19 CN(CCCCF)c1ccc(cc1)Cl 269982a_100020629279_100000729493 [0,2,0,0,0,0|2,0,0]=4 28145 B14R1.19 CN(CCCCF)c1ccc(cc1)Cl 34a_100020629279_100000729493 [0,2,0,0,0,0|2,0,0]=4 28146 B14R1.19 CN(CCCCF)c1ccc(cc1)F 2230a_100000219829_100000729493 [0,2,0,0,0,0|2,0,0]=4 28147 B14R1.19 CN(CCCCF)c1ccc(cc1)F 269982a_100000219829_100000729493 [0,2,0,0,0,0|2,0,0]=4 28148 B14R1.19 CN(CCCCF)c1ccc(cc1)F 34a_100000219829_100000729493 [0,2,0,0,0,0|2,0,0]=4 28149 B14R1.19 CN(CCCCF)c1ccc(cc1)I 2230a_100000743151_100000729493 [0,2,0,0,0,0|2,0,0]=4 28150 B14R1.19 CN(CCCCF)c1ccc(cc1)I 269982a_100000743151_100000729493 [0,2,0,0,0,0|2,0,0]=4 28151 B14R1.19 CN(CCCCF)c1ccc(cc1)I 34a_100000743151_100000729493 [0,2,0,0,0,0|2,0,0]=4 28152 B14R1.19 CN(CCCCF)c1ccc(cc1)O 269982a_100000182112_100000729493 [0,2,0,0,0,0|2,0,0]=4 28153 B14R1.19 CN(CCCCF)c1ccc(cc1)O 34a_100000182112_100000729493 [0,2,0,0,0,0|2,0,0]=4 28154 B14R1.19 CN(CCCCO)c1ccc(cc1)Br 2230a_100000219623_100000210776 [0,2,0,0,0,0|1,0,0]=3 28155 B14R1.19 CN(CCCCO)c1ccc(cc1)Br 269982a_100000219623_100000210776 [0,2,0,0,0,0|1,0,0]=3 28156 B14R1.19 CN(CCCCO)c1ccc(cc1)Br 34a_100000219623_100011216708 [0,2,0,0,0,0|1,0,0]=3 28157 B14R1.19 CN(CCCCO)c1ccc(cc1)Cl 2230a_100020629279_100000210776 [0,2,0,0,0,0|1,0,0]=3 28158 B14R1.19 CN(CCCCO)c1ccc(cc1)Cl 269982a_100020629279_100000210776 [0,2,0,0,0,0|1,0,0]=3 28159 B14R1.19 CN(CCCCO)c1ccc(cc1)Cl 34a_100020629279_100011216708 [0,2,0,0,0,0|1,0,0]=3 28160 B14R1.19 CN(CCCCO)c1ccc(cc1)F 2230a_100000219829_100000210776 [0,2,0,0,0,0|1,0,0]=3 28161 B14R1.19 CN(CCCCO)c1ccc(cc1)F 269982a_100000219829_100000210776 [0,2,0,0,0,0|1,0,0]=3 28162 B14R1.19 CN(CCCCO)c1ccc(cc1)F 34a_100000219829_100011216708 [0,2,0,0,0,0|1,0,0]=3 28163 B14R1.19 CN(CCCCO)c1ccc(cc1)I 2230a_100000743151_100000210776 [0,2,0,0,0,0|1,0,0]=3 28164 B14R1.19 CN(CCCCO)c1ccc(cc1)I 269982a_100000743151_100000210776 [0,2,0,0,0,0|1,0,0]=3 28165 B14R1.19 CN(CCCCO)c1ccc(cc1)I 34a_100000743151_100011216708 [0,2,0,0,0,0|1,0,0]=3 28166 B14R1.19 CN(CCCCO)c1ccc(cc1)O 269982a_100000182112_100000210776 [0,2,0,0,0,0|1,0,0]=3 28167 B14R1.19 CN(CCCCO)c1ccc(cc1)O 34a_100000182112_100011216708 [0,2,0,0,0,0|1,0,0]=3 28168 B14R1.19 CN(CCCCO)c1ccc(cn1)Br 27a_100000717598_100000686858 [0,2,0,0,0,0|2,0,0]=4 28169 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Br 2230a_100000720352_100011934791 [0,2,0,0,0,0|2,0,0]=4 28170 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 2230a_100015205461_100011934791 [0,2,0,0,0,0|2,0,0]=4 28171 B14R1.19 C[C@@H](NCCCF)c1ccc(cc1)Cl 34a_100015205461_100011934791 [0,2,0,0,0,0|2,0,0]=4 28172 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Br 2230a_100000720352_100000230001 [0,2,0,0,0,0|1,0,0]=3 28173 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 2230a_100015205461_100000230001 [0,2,0,0,0,0|1,0,0]=3 28174 B14R1.19 C[C@@H](NCCCO)c1ccc(cc1)Cl 34a_100015205461_100000230001 [0,2,0,0,0,0|1,0,0]=3 28175 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 2230a_100025705893_100011934791 [0,2,0,0,0,0|2,0,0]=4 28176 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)F 34a_100025705893_100011934791 [0,2,0,0,0,0|2,0,0]=4 28177 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)I 2230a_100000753911_100011934791 [0,2,0,0,0,0|2,0,0]=4 28178 B14R1.19 C[C@H](NCCCF)c1ccc(cc1)O 2230a_100161106496_100011934791 [0,2,0,0,0,0|2,0,0]=4 28179 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 2230a_100025705893_100000230001 [0,2,0,0,0,0|1,0,0]=3 28180 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)F 34a_100025705893_100000230001 [0,2,0,0,0,0|1,0,0]=3 28181 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)I 2230a_100000753911_100000230001 [0,2,0,0,0,0|1,0,0]=3 28182 B14R1.19 C[C@H](NCCCO)c1ccc(cc1)O 2230a_100161106496_100000230001 [0,2,0,0,0,0|1,0,0]=3 28183 B14R1.19 C[C@H](NCCCO)c1ccc(nc1)Br 2230a_100015387476_100000230001 [0,2,0,0,0,0|2,0,0]=4 28184 B14R1.19 C[C@H](OCCCF)c1ccc(cc1)Cl 34a_100011852131_100011934791 [0,2,0,0,0,0|2,0,0]=4 28185 B14R1.19 C[C@H](OCCCF)c1ccc(cc1)Cl 7a_100011852131_100011934791 [0,2,0,0,0,0|2,0,0]=4 28186 B14R1.19 C[C@H](OCCCO)c1ccc(cc1)Cl 34a_100011852131_100000230001 [0,2,0,0,0,0|1,0,0]=3 28187 B14R1.19 C[C@H](OCCCO)c1ccc(cc1)Cl 7a_100011852131_100011215043 [0,2,0,0,0,0|1,0,0]=3 28188 B14R1.19 Cc1ccc(cc1)C(=O)CCCCF 1458a_100000188618_100000729493 [0,2,0,0,0,0|1,0,1]=4 28189 B14R1.19 Cc1ccc(cc1)C(=O)CCCCO 1458a_100000188618_100000210776 [0,2,0,0,0,0|0,0,1]=3 28190 B14R1.19 Cc1ccc(cc1)C(=O)CNCCO 2230a_100016997473_100000211441 [0,2,0,0,0,0|1,0,1]=4 28191 B14R1.19 Cc1ccc(cc1)C(=O)CNCCO 34a_100016990907_100000211441 [0,2,0,0,0,0|1,0,1]=4 28192 B14R1.19 Cc1ccc(cc1)C(=O)CSCCO 62a_100000211441_100000211926 [0,2,0,0,0,0|1,0,1]=4 28193 B14R1.19 Cc1ccc(cc1)C(=O)CSCCO 62a_100000211926_100000211441 [0,2,0,0,0,0|1,0,1]=4 28194 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO 240690a_100000182051_100000188618 [0,2,0,0,0,0|1,0,1]=4 28195 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO 527a_100000182051_100000188618 [0,2,0,0,0,0|1,0,1]=4 28196 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 2230a_100015189416_100011261388 [0,2,0,0,0,0|2,0,0]=4 28197 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 269862a_100015189416_100000185793 [0,2,0,0,0,0|2,0,0]=4 28198 B14R1.19 Cc1ccc(cc1)C(C)NCCCF 34a_100015189416_100011261388 [0,2,0,0,0,0|2,0,0]=4 28199 B14R1.19 Cc1ccc(cc1)C(C)NCCCO 269862a_100000182051_100000185793 [0,2,0,0,0,0|1,0,0]=3 28200 B14R1.19 Cc1ccc(cc1)C(C)OCCCBr 34a_100011217188_100011261388 [0,2,0,0,0,0|2,0,0]=4 28201 B14R1.19 Cc1ccc(cc1)C(C)OCCCCl 34a_100000230001_100011261388 [0,2,0,0,0,0|2,0,0]=4 28202 B14R1.19 Cc1ccc(cc1)C(C)OCCCF 34a_100000759539_100011261388 [0,2,0,0,0,0|2,0,0]=4 28203 B14R1.19 Cc1ccc(cc1)C(C)OCCCN 34a_100000182051_100011261388 [0,2,0,0,0,0|2,0,0]=4 28204 B14R1.19 Cc1ccc(cc1)C(C)SCCCF 62a_100011261388_100011934791 [0,2,0,0,0,0|2,0,0]=4 28205 B14R1.19 Cc1ccc(cc1)C(C)SCCCF 62a_100011934791_100011261388 [0,2,0,0,0,0|2,0,0]=4 28206 B14R1.19 Cc1ccc(cc1)C(C)SCCCO 62a_100011215043_100011261388 [0,2,0,0,0,0|1,0,0]=3 28207 B14R1.19 Cc1ccc(cc1)C(C)SCCCO 62a_100011261388_100011215043 [0,2,0,0,0,0|1,0,0]=3 28208 B14R1.19 Cc1ccc(cc1)C(N)CCOCF 34a_100011661551_100015361967 [0,2,0,0,0,0|2,0,0]=4 28209 B14R1.19 Cc1ccc(cc1)C(O)CNCCF 2230a_200020610344_100011217306 [0,2,0,0,0,0|2,0,0]=4 28210 B14R1.19 Cc1ccc(cc1)C(O)CNCCF 34a_200020610344_100011217306 [0,2,0,0,0,0|2,0,0]=4 28211 B14R1.19 Cc1ccc(cc1)C(O)CNCCO 2230a_200020610344_100000211926 [0,2,0,0,0,0|1,0,0]=3 28212 B14R1.19 Cc1ccc(cc1)C(O)CNCCO 34a_200020610344_100000211926 [0,2,0,0,0,0|1,0,0]=3 28213 B14R1.19 Cc1ccc(cc1)N(C)CCCCF 2230a_100000219977_100000729493 [0,2,0,0,0,0|2,0,0]=4 28214 B14R1.19 Cc1ccc(cc1)N(C)CCCCF 269982a_100000219977_100000729493 [0,2,0,0,0,0|2,0,0]=4 28215 B14R1.19 Cc1ccc(cc1)N(C)CCCCF 34a_100000219977_100000729493 [0,2,0,0,0,0|2,0,0]=4 28216 B14R1.19 Cc1ccc(cc1)N(C)CCCCO 2230a_100000219977_100000210776 [0,2,0,0,0,0|1,0,0]=3 28217 B14R1.19 Cc1ccc(cc1)N(C)CCCCO 269982a_100000219977_100000210776 [0,2,0,0,0,0|1,0,0]=3 28218 B14R1.19 Cc1ccc(cc1)N(C)CCCCO 34a_100000219977_100011216708 [0,2,0,0,0,0|1,0,0]=3 28219 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 2230a_100016988085_100011934791 [0,2,0,0,0,0|2,0,0]=4 28220 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCF 34a_100016988085_100011934791 [0,2,0,0,0,0|2,0,0]=4 28221 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 2230a_100016988085_100000230001 [0,2,0,0,0,0|1,0,0]=3 28222 B14R1.19 Cc1ccc(cc1)[C@@H](C)NCCCO 34a_100016988085_100000230001 [0,2,0,0,0,0|1,0,0]=3 28223 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCF 34a_100000690690_100011934791 [0,2,0,0,0,0|2,0,0]=4 28224 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCF 7a_100000690690_100011934791 [0,2,0,0,0,0|2,0,0]=4 28225 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCO 34a_100000690690_100000230001 [0,2,0,0,0,0|1,0,0]=3 28226 B14R1.19 Cc1ccc(cc1)[C@@H](C)OCCCO 7a_100000690690_100011215043 [0,2,0,0,0,0|1,0,0]=3 28227 B14R1.19 Cc1ccc(cc1)[C@@H](N)COCCF 34a_100009818840_100011217306 [0,2,0,0,0,0|2,0,0]=4 28228 B14R1.19 Cc1ccc(cc1)[C@@H](N)COCCO 34a_100009818840_100000211926 [0,2,0,0,0,0|1,0,0]=3 28229 B14R1.19 Cc1ccc(cn1)C(C)NCCCO 2230a_100011815741_100000230001 [0,2,0,0,0,0|2,0,0]=4 28230 B14R1.19 Cc1ccc(cn1)C(C)NCCCO 269862a_100000182051_100011280547 [0,2,0,0,0,0|2,0,0]=4 28231 B14R1.19 Cc1ccc(cn1)C(C)NCCCO 34a_100011815741_100000230001 [0,2,0,0,0,0|2,0,0]=4 28232 B14R1.19 Cc1ccc(cn1)C(C)OCCCO 34a_200011815720_100000230001 [0,2,0,0,0,0|2,0,0]=4 28233 B14R1.19 Cc1ccc(cn1)C(C)OCCCO 7a_200011815720_100011215043 [0,2,0,0,0,0|2,0,0]=4 28234 B14R1.19 Cc1ccc(nc1)C(C)NCCCO 269862a_100000182051_100000084104 [0,2,0,0,0,0|2,0,0]=4 28235 B14R1.19 Cc1ccc(nc1)C(C)NCCCO 270004a_100000182051_100000084104 [0,2,0,0,0,0|2,0,0]=4 28236 B14R1.19 NC(CCOCF)c1ccc(cc1)Cl 34a_100000730317_100015361967 [0,2,0,0,0,0|2,0,0]=4 28237 B14R1.19 NC(CCOCF)c1ccc(cc1)F 34a_100000752280_100015361967 [0,2,0,0,0,0|2,0,0]=4 28238 B14R1.19 NC(COCCF)c1ccc(cc1)Br 34a_100000734186_100011217306 [0,2,0,0,0,0|2,0,0]=4 28239 B14R1.19 NC(COCCF)c1ccc(cc1)F 34a_100000705410_100011217306 [0,2,0,0,0,0|2,0,0]=4 28240 B14R1.19 NC(COCCO)c1ccc(cc1)Br 34a_100000734186_100000211926 [0,2,0,0,0,0|1,0,0]=3 28241 B14R1.19 NC(COCCO)c1ccc(cc1)F 34a_100000705410_100000211926 [0,2,0,0,0,0|1,0,0]=3 28242 B14R1.19 NCCOCC(O)c1ccc(cc1)Cl 34a_100000210304_200011996143 [0,2,0,0,0,0|2,0,0]=4 28243 B14R1.19 NCCOC[C@H](O)c1ccc(cc1)F 34a_100000210304_100000720402 [0,2,0,0,0,0|2,0,0]=4 28244 B14R1.19 N[C@@H](CCOCF)c1ccc(cc1)Br 34a_102125605589_100015361967 [0,2,0,0,0,0|2,0,0]=4 28245 B14R1.19 N[C@H](COCCF)c1ccc(cc1)Cl 34a_100009818818_100011217306 [0,2,0,0,0,0|2,0,0]=4 28246 B14R1.19 N[C@H](COCCO)c1ccc(cc1)Cl 34a_100009818818_100000211926 [0,2,0,0,0,0|1,0,0]=3 28247 B14R1.19 Nc1ccc(cc1)[C@@H](N)CCOCF 34a_200020642056_100015361967 [0,2,0,0,0,0|2,0,0]=4 28248 B14R1.19 O=C(CCCCF)c1ccc(cc1)Br 1458a_100000185839_100000729493 [0,2,0,0,0,0|1,0,1]=4 28249 B14R1.19 O=C(CCCCF)c1ccc(cc1)Cl 1458a_100000210187_100000729493 [0,2,0,0,0,0|1,0,1]=4 28250 B14R1.19 O=C(CCCCF)c1ccc(cc1)F 1458a_100000187176_100000729493 [0,2,0,0,0,0|1,0,1]=4 28251 B14R1.19 O=C(CCCCF)c1ccc(cc1)I 1458a_100000187904_100000729493 [0,2,0,0,0,0|1,0,1]=4 28252 B14R1.19 O=C(CCCCF)c1ccc(cc1)O 1458a_100000212099_100000729493 [0,2,0,0,0,0|1,0,1]=4 28253 B14R1.19 O=C(CCCCO)c1ccc(cc1)Br 1458a_100000185839_100000210776 [0,2,0,0,0,0|0,0,1]=3 28254 B14R1.19 O=C(CCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000210776 [0,2,0,0,0,0|0,0,1]=3 28255 B14R1.19 O=C(CCCCO)c1ccc(cc1)F 1458a_100000187176_100000210776 [0,2,0,0,0,0|0,0,1]=3 28256 B14R1.19 O=C(CCCCO)c1ccc(cc1)I 1458a_100000187904_100000210776 [0,2,0,0,0,0|0,0,1]=3 28257 B14R1.19 O=C(CCCCO)c1ccc(cc1)O 1458a_100000212099_100000210776 [0,2,0,0,0,0|0,0,1]=3 28258 B14R1.19 O=C(CNCCO)c1ccc(cc1)Br 34a_100016990907_100000188085 [0,2,0,0,0,0|1,0,1]=4 28259 B14R1.19 O=C(CNCCO)c1ccc(cc1)I 34a_100016990907_100011216261 [0,2,0,0,0,0|1,0,1]=4 28260 B14R1.19 O=C(CNCCO)c1ccc(cc1)O 34a_100016990907_100009814261 [0,2,0,0,0,0|1,0,1]=4 28261 B14R1.19 O=C(COCCO)c1ccc(cc1)F 34a_100000246311_100000211926 [0,2,0,0,0,0|1,0,1]=4 28262 B14R1.19 O=C(CSCCO)c1ccc(cc1)Br 62a_100000188085_100000211926 [0,2,0,0,0,0|1,0,1]=4 28263 B14R1.19 O=C(CSCCO)c1ccc(cc1)Cl 62a_100000211071_100000211926 [0,2,0,0,0,0|1,0,1]=4 28264 B14R1.19 O=C(CSCCO)c1ccc(cc1)Cl 62a_100000211926_100000211071 [0,2,0,0,0,0|1,0,1]=4 28265 B14R1.19 O=C(CSCCO)c1ccc(cc1)F 62a_100000211279_100000211926 [0,2,0,0,0,0|1,0,1]=4 28266 B14R1.19 O=C(CSCCO)c1ccc(cc1)F 62a_100000211926_100000211279 [0,2,0,0,0,0|1,0,1]=4 28267 B14R1.19 O=C(CSCCO)c1ccc(cc1)I 62a_100000211926_100011216261 [0,2,0,0,0,0|1,0,1]=4 28268 B14R1.19 O=C(CSCCO)c1ccc(cc1)I 62a_100011216261_100000211926 [0,2,0,0,0,0|1,0,1]=4 28269 B14R1.19 O=C(CSCCO)c1ccc(cc1)O 62a_100000211926_100009814261 [0,2,0,0,0,0|1,0,1]=4 28270 B14R1.19 O=C(CSCCO)c1ccc(cc1)O 62a_100009814261_100000211926 [0,2,0,0,0,0|1,0,1]=4 28271 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br 240690a_100000182051_100000185839 [0,2,0,0,0,0|1,0,1]=4 28272 B14R1.19 O=C(NCCCO)c1ccc(cc1)Br 527a_100000182051_100000185839 [0,2,0,0,0,0|1,0,1]=4 28273 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl 240690a_100000182051_100000210187 [0,2,0,0,0,0|1,0,1]=4 28274 B14R1.19 O=C(NCCCO)c1ccc(cc1)Cl 527a_100000182051_100000210187 [0,2,0,0,0,0|1,0,1]=4 28275 B14R1.19 O=C(NCCCO)c1ccc(cc1)F 240690a_100000182051_100000187176 [0,2,0,0,0,0|1,0,1]=4 28276 B14R1.19 O=C(NCCCO)c1ccc(cc1)F 527a_100000182051_100000187176 [0,2,0,0,0,0|1,0,1]=4 28277 B14R1.19 O=C(NCCCO)c1ccc(cc1)I 240690a_100000182051_100000187904 [0,2,0,0,0,0|1,0,1]=4 28278 B14R1.19 O=C(NCCCO)c1ccc(cc1)I 527a_100000182051_100000187904 [0,2,0,0,0,0|1,0,1]=4 28279 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 240690a_100000182051_100000212099 [0,2,0,0,0,0|1,0,1]=4 28280 B14R1.19 O=C(NCCCO)c1ccc(cc1)O 527a_100000182051_100000212099 [0,2,0,0,0,0|1,0,1]=4 28281 B14R1.19 OC(CNCCF)c1ccc(cc1)Br 2230a_100020626992_100011217306 [0,2,0,0,0,0|2,0,0]=4 28282 B14R1.19 OC(CNCCF)c1ccc(cc1)Br 34a_100020626992_100011217306 [0,2,0,0,0,0|2,0,0]=4 28283 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 2230a_100000736658_100011217306 [0,2,0,0,0,0|2,0,0]=4 28284 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 34a_100000724931_200011996143 [0,2,0,0,0,0|2,0,0]=4 28285 B14R1.19 OC(CNCCF)c1ccc(cc1)Cl 34a_100000736658_100011217306 [0,2,0,0,0,0|2,0,0]=4 28286 B14R1.19 OC(COCCBr)c1ccc(cc1)Cl 34a_100000211926_200011996143 [0,2,0,0,0,0|2,0,0]=4 28287 B14R1.19 OC(CSCCF)c1ccc(cc1)Cl 62a_100011217306_200011996143 [0,2,0,0,0,0|2,0,0]=4 28288 B14R1.19 OC(CSCCF)c1ccc(cc1)Cl 62a_200011996143_100011217306 [0,2,0,0,0,0|2,0,0]=4 28289 B14R1.19 OCCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000211926 [0,2,0,0,0,0|1,0,0]=3 28290 B14R1.19 OCCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000211926 [0,2,0,0,0,0|1,0,0]=3 28291 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000211926 [0,2,0,0,0,0|1,0,0]=3 28292 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 2230a_100016997473_200011996143 [0,2,0,0,0,0|1,0,0]=3 28293 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000211926 [0,2,0,0,0,0|1,0,0]=3 28294 B14R1.19 OCCNCC(O)c1ccc(cc1)Cl 34a_100016990907_200011996143 [0,2,0,0,0,0|1,0,0]=3 28295 B14R1.19 OCCNCC(O)c1ccc(cc1)O 34a_100000067596_100000211926 [0,2,0,0,0,0|1,0,0]=3 28296 B14R1.19 OCCNC[C@H](O)c1ccc(cc1)F 2230a_100016997473_100000720402 [0,2,0,0,0,0|1,0,0]=3 28297 B14R1.19 OCCNC[C@H](O)c1ccc(cc1)F 34a_100016990907_100000720402 [0,2,0,0,0,0|1,0,0]=3 28298 B14R1.19 OCCSCC(O)c1ccc(cc1)Cl 62a_100000211926_200011996143 [0,2,0,0,0,0|1,0,0]=3 28299 B14R1.19 OCCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000211926 [0,2,0,0,0,0|1,0,0]=3 28300 B14R1.19 OCCSC[C@H](O)c1ccc(cc1)F 62a_100000211926_100000720402 [0,2,0,0,0,0|1,0,0]=3 28301 B14R1.19 OCCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000211926 [0,2,0,0,0,0|1,0,0]=3 28302 B14R1.19 O[C@@H](CNCCF)c1ccc(cc1)F 34a_100000724931_100000720402 [0,2,0,0,0,0|2,0,0]=4 28303 B14R1.19 O[C@@H](COCCBr)c1ccc(cc1)F 34a_100000211926_100000720402 [0,2,0,0,0,0|2,0,0]=4 28304 B14R1.19 O[C@@H](CSCCF)c1ccc(cc1)F 62a_100000720402_100011217306 [0,2,0,0,0,0|2,0,0]=4 28305 B14R1.19 O[C@@H](CSCCF)c1ccc(cc1)F 62a_100011217306_100000720402 [0,2,0,0,0,0|2,0,0]=4 28306 B14R1.19 Oc1ccc(cc1)C(O)CNCCF 34a_100000067596_100011217306 [0,2,0,0,0,0|2,0,0]=4 28307 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 34a_217856618577_100000210210 [0,2,0,0,0,0|2,0,0]=4 28308 B14R1.19 [2H]C(OCCCC)c1ccc(cc1)F 7a_217856618577_100000210211 [0,2,0,0,0,0|2,0,0]=4 28309 B14R1.19 [2H]C(OCCCF)c1ccc(cc1)F 34a_217856618577_100011934791 [0,2,0,0,0,0|2,0,0]=4 28310 B14R1.19 [2H]C(OCCCF)c1ccc(cc1)F 7a_217856618577_100011934791 [0,2,0,0,0,0|2,0,0]=4 28311 B14R1.19 [2H]C(OCCCO)c1ccc(cc1)F 34a_217856618577_100000230001 [0,2,0,0,0,0|1,0,0]=3 28312 B14R1.19 [2H]C(OCCCO)c1ccc(cc1)F 7a_217856618577_100011215043 [0,2,0,0,0,0|1,0,0]=3 28313 B14R1.33 CC(Cc1ccc(cc1)Br)NCCO 270004a_100000210304_100000691760 [0,2,0,0,0,0|1,0,0]=3 28314 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCO 270004a_100000210304_100000747806 [0,2,0,0,0,0|1,0,0]=3 28315 B14R1.33 CC(Cc1ccc(cc1)F)NCCO 270004a_100000210304_100000745281 [0,2,0,0,0,0|1,0,0]=3 28316 B14R1.33 CC(Cc1ccc(cc1)F)OCCF 34a_100011351027_100011217306 [0,2,0,0,0,0|2,0,0]=4 28317 B14R1.33 CC(Cc1ccc(cc1)F)OCCF 7a_100011351027_100011217306 [0,2,0,0,0,0|2,0,0]=4 28318 B14R1.33 CC(Cc1ccc(cc1)F)OCCO 34a_100011351027_100000211926 [0,2,0,0,0,0|1,0,0]=3 28319 B14R1.33 CC(Cc1ccc(cc1)F)OCCO 7a_100011351027_100000211926 [0,2,0,0,0,0|1,0,0]=3 28320 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 2230a_100102634573_100011217306 [0,2,0,0,0,0|2,0,0]=4 28321 B14R1.33 CC(Cc1ccc(cc1)O)NCCF 34a_100102634573_100011217306 [0,2,0,0,0,0|2,0,0]=4 28322 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 2230a_100102634573_100000211926 [0,2,0,0,0,0|1,0,0]=3 28323 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 270004a_100000210304_100011218180 [0,2,0,0,0,0|1,0,0]=3 28324 B14R1.33 CC(Cc1ccc(cc1)O)NCCO 34a_100102634573_100000211926 [0,2,0,0,0,0|1,0,0]=3 28325 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210211 [0,2,0,0,0,0|1,0,1]=4 28326 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Br 1458a_100000210183_100000189115 [0,2,0,0,0,0|1,0,1]=4 28327 B14R1.33 CCCCC(=O)Cc1ccc(cc1)C 1458a_100000210183_100000210814 [0,2,0,0,0,0|1,0,1]=4 28328 B14R1.33 CCCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210211 [0,2,0,0,0,0|1,0,1]=4 28329 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000210183_100000694040 [0,2,0,0,0,0|1,0,1]=4 28330 B14R1.33 CCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210211 [0,2,0,0,0,0|1,0,1]=4 28331 B14R1.33 CCCCC(=O)Cc1ccc(cc1)F 1458a_100000210183_100000198546 [0,2,0,0,0,0|1,0,1]=4 28332 B14R1.33 CCCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210211 [0,2,0,0,0,0|1,0,1]=4 28333 B14R1.33 CCCCC(=O)Cc1ccc(cc1)I 1458a_100000210183_100000189116 [0,2,0,0,0,0|1,0,1]=4 28334 B14R1.33 CCCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210211 [0,2,0,0,0,0|1,0,1]=4 28335 B14R1.33 CCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210211 [0,2,0,0,0,0|1,0,1]=4 28336 B14R1.33 CCCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_200011215066 [0,2,0,0,0,0|2,0,0]=4 28337 B14R1.33 CCCCC(C)Nc1ccc(cc1)Br 34a_100000210018_200011215066 [0,2,0,0,0,0|2,0,0]=4 28338 B14R1.33 CCCCC(C)Nc1ccc(cc1)C 34a_100000124888_200011215066 [0,2,0,0,0,0|2,0,0]=4 28339 B14R1.33 CCCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_200011215066 [0,2,0,0,0,0|2,0,0]=4 28340 B14R1.33 CCCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_200011215066 [0,2,0,0,0,0|2,0,0]=4 28341 B14R1.33 CCCCC(C)Nc1ccc(cc1)F 34a_100000185862_200011215066 [0,2,0,0,0,0|2,0,0]=4 28342 B14R1.33 CCCCC(C)Nc1ccc(cc1)I 34a_100000185761_200011215066 [0,2,0,0,0,0|2,0,0]=4 28343 B14R1.33 CCCCC(C)Nc1ccc(cc1)O 34a_100000185829_200011215066 [0,2,0,0,0,0|2,0,0]=4 28344 B14R1.33 CCCCC(C)Oc1ccc(cc1)Br 34a_100000185759_200011215066 [0,2,0,0,0,0|2,0,0]=4 28345 B14R1.33 CCCCC(C)Oc1ccc(cc1)Br 7a_100000185759_200011215066 [0,2,0,0,0,0|2,0,0]=4 28346 B14R1.33 CCCCC(C)Oc1ccc(cc1)C 34a_100000210336_200011215066 [0,2,0,0,0,0|2,0,0]=4 28347 B14R1.33 CCCCC(C)Oc1ccc(cc1)C 7a_100000210336_200011215066 [0,2,0,0,0,0|2,0,0]=4 28348 B14R1.33 CCCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_200011215066 [0,2,0,0,0,0|2,0,0]=4 28349 B14R1.33 CCCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_200011215066 [0,2,0,0,0,0|2,0,0]=4 28350 B14R1.33 CCCCC(C)Oc1ccc(cc1)F 34a_100000210339_200011215066 [0,2,0,0,0,0|2,0,0]=4 28351 B14R1.33 CCCCC(C)Oc1ccc(cc1)I 34a_100000212066_200011215066 [0,2,0,0,0,0|2,0,0]=4 28352 B14R1.33 CCCCC(C)Oc1ccc(cc1)I 7a_100000212066_200011215066 [0,2,0,0,0,0|2,0,0]=4 28353 B14R1.33 CCCCC(C)Oc1ccc(cc1)N 34a_100000185829_200011215066 [0,2,0,0,0,0|2,0,0]=4 28354 B14R1.33 CCCCC(C)Sc1ccc(cc1)Br 62a_100000752885_200011215066 [0,2,0,0,0,0|2,0,0]=4 28355 B14R1.33 CCCCC(C)Sc1ccc(cc1)Br 62a_200011215066_100000752885 [0,2,0,0,0,0|2,0,0]=4 28356 B14R1.33 CCCCC(C)Sc1ccc(cc1)C 62a_100000186775_200011215066 [0,2,0,0,0,0|2,0,0]=4 28357 B14R1.33 CCCCC(C)Sc1ccc(cc1)C 62a_200011215066_100000186775 [0,2,0,0,0,0|2,0,0]=4 28358 B14R1.33 CCCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_200011215066 [0,2,0,0,0,0|2,0,0]=4 28359 B14R1.33 CCCCC(C)Sc1ccc(cc1)Cl 62a_200011215066_100000755918 [0,2,0,0,0,0|2,0,0]=4 28360 B14R1.33 CCCCC(C)Sc1ccc(cc1)F 62a_100000211213_200011215066 [0,2,0,0,0,0|2,0,0]=4 28361 B14R1.33 CCCCC(C)Sc1ccc(cc1)F 62a_200011215066_100000211213 [0,2,0,0,0,0|2,0,0]=4 28362 B14R1.33 CCCCC(C)Sc1ccc(cc1)N 62a_100000185761_200011215066 [0,2,0,0,0,0|2,0,0]=4 28363 B14R1.33 CCCCC(C)Sc1ccc(cc1)N 62a_200011215066_100000185761 [0,2,0,0,0,0|2,0,0]=4 28364 B14R1.33 CCCCC(C)Sc1ccc(cc1)O 62a_200011215066_100000185759 [0,2,0,0,0,0|2,0,0]=4 28365 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210211 [0,2,0,0,0,0|2,0,0]=4 28366 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 2230a_100000207549_100011217064 [0,2,0,0,0,0|2,0,0]=4 28367 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 2230a_100015187156_200000210301 [0,2,0,0,0,0|2,0,0]=4 28368 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210211 [0,2,0,0,0,0|2,0,0]=4 28369 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 269982a_100000207549_100011217064 [0,2,0,0,0,0|2,0,0]=4 28370 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 269982a_100015187156_200000210301 [0,2,0,0,0,0|2,0,0]=4 28371 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 26a_100000207549_100000185759 [0,2,0,0,0,0|2,0,0]=4 28372 B14R1.33 CCCCN(C)Cc1ccc(cc1)Br 270004a_100000207549_100000186029 [0,2,0,0,0,0|2,0,0]=4 28373 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 2230a_100000196039_200000210301 [0,2,0,0,0,0|2,0,0]=4 28374 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 2230a_100000207549_100000210814 [0,2,0,0,0,0|2,0,0]=4 28375 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210211 [0,2,0,0,0,0|2,0,0]=4 28376 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 269982a_100000196039_200000210301 [0,2,0,0,0,0|2,0,0]=4 28377 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 269982a_100000207549_100000210814 [0,2,0,0,0,0|2,0,0]=4 28378 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210211 [0,2,0,0,0,0|2,0,0]=4 28379 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 26a_100000207549_200020625495 [0,2,0,0,0,0|2,0,0]=4 28380 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 270004a_100000207549_100000211033 [0,2,0,0,0,0|2,0,0]=4 28381 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 34a_100000196039_200000210301 [0,2,0,0,0,0|2,0,0]=4 28382 B14R1.33 CCCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210210 [0,2,0,0,0,0|2,0,0]=4 28383 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210211 [0,2,0,0,0,0|2,0,0]=4 28384 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 2230a_100000207549_100000694040 [0,2,0,0,0,0|2,0,0]=4 28385 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 2230a_100015186511_200000210301 [0,2,0,0,0,0|2,0,0]=4 28386 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210211 [0,2,0,0,0,0|2,0,0]=4 28387 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 269982a_100000207549_100000187161 [0,2,0,0,0,0|2,0,0]=4 28388 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 269982a_100015186511_200000210301 [0,2,0,0,0,0|2,0,0]=4 28389 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 270004a_100000207549_100000189385 [0,2,0,0,0,0|2,0,0]=4 28390 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210210 [0,2,0,0,0,0|2,0,0]=4 28391 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl 34a_100015186511_200000210301 [0,2,0,0,0,0|2,0,0]=4 28392 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210211 [0,2,0,0,0,0|2,0,0]=4 28393 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 2230a_100000196033_200000210301 [0,2,0,0,0,0|2,0,0]=4 28394 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 2230a_100000207549_100000198546 [0,2,0,0,0,0|2,0,0]=4 28395 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210211 [0,2,0,0,0,0|2,0,0]=4 28396 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 269982a_100000196033_200000210301 [0,2,0,0,0,0|2,0,0]=4 28397 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 269982a_100000207549_100000198546 [0,2,0,0,0,0|2,0,0]=4 28398 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 270004a_100000207549_100000210084 [0,2,0,0,0,0|2,0,0]=4 28399 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210210 [0,2,0,0,0,0|2,0,0]=4 28400 B14R1.33 CCCCN(C)Cc1ccc(cc1)F 34a_100000196033_200000210301 [0,2,0,0,0,0|2,0,0]=4 28401 B14R1.33 CCCCN(C)Cc1ccc(cc1)I 2230a_100000207549_100000189116 [0,2,0,0,0,0|2,0,0]=4 28402 B14R1.33 CCCCN(C)Cc1ccc(cc1)I 269982a_100000207549_100000189116 [0,2,0,0,0,0|2,0,0]=4 28403 B14R1.33 CCCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210211 [0,2,0,0,0,0|2,0,0]=4 28404 B14R1.33 CCCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210211 [0,2,0,0,0,0|2,0,0]=4 28405 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Br 2230a_100015187156_200025704644 [0,2,0,0,0,0|2,0,0]=4 28406 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Br 269982a_100015187156_200025704644 [0,2,0,0,0,0|2,0,0]=4 28407 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)C 2230a_100000196039_200025704644 [0,2,0,0,0,0|2,0,0]=4 28408 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)C 269982a_100000196039_200025704644 [0,2,0,0,0,0|2,0,0]=4 28409 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)C 34a_100000196039_200025704644 [0,2,0,0,0,0|2,0,0]=4 28410 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100015186511_200025704644 [0,2,0,0,0,0|2,0,0]=4 28411 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100015186511_200025704644 [0,2,0,0,0,0|2,0,0]=4 28412 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)Cl 34a_100015186511_200025704644 [0,2,0,0,0,0|2,0,0]=4 28413 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)F 2230a_100000196033_200025704644 [0,2,0,0,0,0|2,0,0]=4 28414 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)F 269982a_100000196033_200025704644 [0,2,0,0,0,0|2,0,0]=4 28415 B14R1.33 CCCCN([13CH3])Cc1ccc(cc1)F 34a_100000196033_200025704644 [0,2,0,0,0,0|2,0,0]=4 28416 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br 270004a_100020643023_100000691760 [0,2,0,0,0,0|2,0,0]=4 28417 B14R1.33 CCCNC(C)Cc1ccc(cc1)C 270004a_100020643023_100000751045 [0,2,0,0,0,0|2,0,0]=4 28418 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl 270004a_100020643023_100000747806 [0,2,0,0,0,0|2,0,0]=4 28419 B14R1.33 CCCNC(C)Cc1ccc(cc1)F 270004a_100020643023_100000745281 [0,2,0,0,0,0|2,0,0]=4 28420 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210303 [0,2,0,0,0,0|2,0,0]=4 28421 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 270004a_100020643023_100011218180 [0,2,0,0,0,0|2,0,0]=4 28422 B14R1.33 CCCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210303 [0,2,0,0,0,0|2,0,0]=4 28423 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210303 [0,2,0,0,0,0|2,0,0]=4 28424 B14R1.33 CCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210303 [0,2,0,0,0,0|2,0,0]=4 28425 B14R1.33 CCOCC(N)Cc1ccc(cc1)Cl 34a_100025702442_100000210202 [0,2,0,0,0,0|2,0,0]=4 28426 B14R1.33 CN(CCCF)Cc1ccc(cc1)Br 2230a_100000180866_100011934791 [0,2,0,0,0,0|2,0,0]=4 28427 B14R1.33 CN(CCCF)Cc1ccc(cc1)Br 269982a_100000180866_100011934791 [0,2,0,0,0,0|2,0,0]=4 28428 B14R1.33 CN(CCCF)Cc1ccc(cc1)Cl 2230a_100000184517_100011934791 [0,2,0,0,0,0|2,0,0]=4 28429 B14R1.33 CN(CCCF)Cc1ccc(cc1)Cl 269982a_100000184517_100011934791 [0,2,0,0,0,0|2,0,0]=4 28430 B14R1.33 CN(CCCF)Cc1ccc(cc1)Cl 34a_100000184517_100011934791 [0,2,0,0,0,0|2,0,0]=4 28431 B14R1.33 CN(CCCF)Cc1ccc(cc1)F 2230a_100000184576_100011934791 [0,2,0,0,0,0|2,0,0]=4 28432 B14R1.33 CN(CCCF)Cc1ccc(cc1)F 269982a_100000184576_100011934791 [0,2,0,0,0,0|2,0,0]=4 28433 B14R1.33 CN(CCCF)Cc1ccc(cc1)F 34a_100000184576_100011934791 [0,2,0,0,0,0|2,0,0]=4 28434 B14R1.33 CN(CCCF)Cc1ccc(cc1)O 2230a_100000207500_100011934791 [0,2,0,0,0,0|2,0,0]=4 28435 B14R1.33 CN(CCCF)Cc1ccc(cc1)O 269982a_100000207500_100011934791 [0,2,0,0,0,0|2,0,0]=4 28436 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 2230a_100000180866_100000230001 [0,2,0,0,0,0|1,0,0]=3 28437 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 2230a_100000213112_100011217064 [0,2,0,0,0,0|1,0,0]=3 28438 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 269982a_100000180866_100011215043 [0,2,0,0,0,0|1,0,0]=3 28439 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 269982a_100000213112_100011217064 [0,2,0,0,0,0|1,0,0]=3 28440 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 26a_100000213112_100000185759 [0,2,0,0,0,0|1,0,0]=3 28441 B14R1.33 CN(CCCO)Cc1ccc(cc1)Br 270004a_100000213112_100000186029 [0,2,0,0,0,0|1,0,0]=3 28442 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000230001 [0,2,0,0,0,0|1,0,0]=3 28443 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 2230a_100000213112_100000694040 [0,2,0,0,0,0|1,0,0]=3 28444 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 2230a_100015186341_200000210301 [0,2,0,0,0,0|1,0,0]=3 28445 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 269982a_100000184517_100011215043 [0,2,0,0,0,0|1,0,0]=3 28446 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 269982a_100000213112_100000187161 [0,2,0,0,0,0|1,0,0]=3 28447 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 269982a_100015186341_200000210301 [0,2,0,0,0,0|1,0,0]=3 28448 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 270004a_100000213112_100000189385 [0,2,0,0,0,0|1,0,0]=3 28449 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 34a_100000184517_100000230001 [0,2,0,0,0,0|1,0,0]=3 28450 B14R1.33 CN(CCCO)Cc1ccc(cc1)Cl 34a_100015186341_200000210301 [0,2,0,0,0,0|1,0,0]=3 28451 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 2230a_100000180847_200000210301 [0,2,0,0,0,0|1,0,0]=3 28452 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 2230a_100000184576_100000230001 [0,2,0,0,0,0|1,0,0]=3 28453 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 2230a_100000213112_100000198546 [0,2,0,0,0,0|1,0,0]=3 28454 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 269982a_100000180847_200000210301 [0,2,0,0,0,0|1,0,0]=3 28455 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 269982a_100000184576_100011215043 [0,2,0,0,0,0|1,0,0]=3 28456 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 269982a_100000213112_100000198546 [0,2,0,0,0,0|1,0,0]=3 28457 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 270004a_100000213112_100000210084 [0,2,0,0,0,0|1,0,0]=3 28458 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 34a_100000180847_200000210301 [0,2,0,0,0,0|1,0,0]=3 28459 B14R1.33 CN(CCCO)Cc1ccc(cc1)F 34a_100000184576_100000230001 [0,2,0,0,0,0|1,0,0]=3 28460 B14R1.33 CN(CCCO)Cc1ccc(cc1)I 2230a_100000213112_100000189116 [0,2,0,0,0,0|1,0,0]=3 28461 B14R1.33 CN(CCCO)Cc1ccc(cc1)I 269982a_100000213112_100000189116 [0,2,0,0,0,0|1,0,0]=3 28462 B14R1.33 CN(CCCO)Cc1ccc(cc1)O 2230a_100000207500_100000230001 [0,2,0,0,0,0|1,0,0]=3 28463 B14R1.33 CN(CCCO)Cc1ccc(cc1)O 269982a_100000207500_100011215043 [0,2,0,0,0,0|1,0,0]=3 28464 B14R1.33 CN(CCCO)Cc1ccc(cn1)Br 2230a_100000213112_100000702658 [0,2,0,0,0,0|2,0,0]=4 28465 B14R1.33 CN(CCCO)Cc1ccc(cn1)Br 269982a_100000213112_100000702658 [0,2,0,0,0,0|2,0,0]=4 28466 B14R1.33 CN(CCCO)Cc1ccc(cn1)Br 270004a_100000213112_100000754260 [0,2,0,0,0,0|2,0,0]=4 28467 B14R1.33 CN(CCCO)Cc1ccc(cn1)Cl 2230a_100000213112_100012066911 [0,2,0,0,0,0|2,0,0]=4 28468 B14R1.33 CN(CCCO)Cc1ccc(cn1)Cl 269982a_100000213112_100000697101 [0,2,0,0,0,0|2,0,0]=4 28469 B14R1.33 CN(CCCO)Cc1ccc(cn1)Cl 270004a_100000213112_100011361569 [0,2,0,0,0,0|2,0,0]=4 28470 B14R1.33 CN(CCCO)Cc1ccc(cn1)F 2230a_100000213112_100000703193 [0,2,0,0,0,0|2,0,0]=4 28471 B14R1.33 CN(CCCO)Cc1ccc(cn1)F 269982a_100000213112_100000703193 [0,2,0,0,0,0|2,0,0]=4 28472 B14R1.33 CN(CCCO)Cc1ccc(cn1)F 270004a_100000213112_100011934744 [0,2,0,0,0,0|2,0,0]=4 28473 B14R1.33 CN(CCCO)Cc1ccc(nc1)Br 2230a_100000213112_100009831999 [0,2,0,0,0,0|2,0,0]=4 28474 B14R1.33 CN(CCCO)Cc1ccc(nc1)Br 269982a_100000213112_100009831999 [0,2,0,0,0,0|2,0,0]=4 28475 B14R1.33 CN(CCCO)Cc1ccc(nc1)Cl 2230a_100000026953_100000230001 [0,2,0,0,0,0|2,0,0]=4 28476 B14R1.33 CN(CCCO)Cc1ccc(nc1)Cl 2230a_100000213112_100000735431 [0,2,0,0,0,0|2,0,0]=4 28477 B14R1.33 CN(CCCO)Cc1ccc(nc1)Cl 269982a_100000026953_100011215043 [0,2,0,0,0,0|2,0,0]=4 28478 B14R1.33 CN(CCCO)Cc1ccc(nc1)Cl 269982a_100000213112_100000735431 [0,2,0,0,0,0|2,0,0]=4 28479 B14R1.33 CN(CCCO)Cc1ccc(nc1)Cl 34a_100000026953_100000230001 [0,2,0,0,0,0|2,0,0]=4 28480 B14R1.33 CN(CCCO)Cc1ccc(nc1)F 2230a_100000213112_100009820150 [0,2,0,0,0,0|2,0,0]=4 28481 B14R1.33 CN(CCCO)Cc1ccc(nc1)F 269982a_100000213112_100009820150 [0,2,0,0,0,0|2,0,0]=4 28482 B14R1.33 Cc1ccc(cc1)CC(=O)CCCF 1458a_100000212244_100011934791 [0,2,0,0,0,0|1,0,1]=4 28483 B14R1.33 Cc1ccc(cc1)CC(=O)CCCO 1458a_100000212244_100011215043 [0,2,0,0,0,0|0,0,1]=3 28484 B14R1.33 Cc1ccc(cc1)CC(=O)NCCO 240690a_100000210304_100000212244 [0,2,0,0,0,0|1,0,1]=4 28485 B14R1.33 Cc1ccc(cc1)CC(=O)NCCO 527a_100000210304_100000212244 [0,2,0,0,0,0|1,0,1]=4 28486 B14R1.33 Cc1ccc(cc1)CC(C)NCCO 270004a_100000210304_100000751045 [0,2,0,0,0,0|1,0,0]=3 28487 B14R1.33 Cc1ccc(cc1)CN(C)CCCF 2230a_100000744650_100011934791 [0,2,0,0,0,0|2,0,0]=4 28488 B14R1.33 Cc1ccc(cc1)CN(C)CCCF 269982a_100000744650_100011934791 [0,2,0,0,0,0|2,0,0]=4 28489 B14R1.33 Cc1ccc(cc1)CN(C)CCCF 34a_100000744650_100011934791 [0,2,0,0,0,0|2,0,0]=4 28490 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 2230a_100000213112_100000210814 [0,2,0,0,0,0|1,0,0]=3 28491 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 2230a_100000744650_100000230001 [0,2,0,0,0,0|1,0,0]=3 28492 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 2230a_100015185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 28493 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 269982a_100000213112_100000210814 [0,2,0,0,0,0|1,0,0]=3 28494 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 269982a_100000744650_100011215043 [0,2,0,0,0,0|1,0,0]=3 28495 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 269982a_100015185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 28496 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 26a_100000213112_200020625495 [0,2,0,0,0,0|1,0,0]=3 28497 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 270004a_100000213112_100000211033 [0,2,0,0,0,0|1,0,0]=3 28498 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 34a_100000744650_100000230001 [0,2,0,0,0,0|1,0,0]=3 28499 B14R1.33 Cc1ccc(cc1)CN(C)CCCO 34a_100015185078_200000210301 [0,2,0,0,0,0|1,0,0]=3 28500 B14R1.33 Cc1ccc(cc1)CN([13CH3])CCCO 2230a_100015185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 28501 B14R1.33 Cc1ccc(cc1)CN([13CH3])CCCO 269982a_100015185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 28502 B14R1.33 Cc1ccc(cc1)CN([13CH3])CCCO 34a_100015185078_200025704644 [0,2,0,0,0,0|1,0,0]=3 28503 B14R1.33 Cc1ccc(cn1)CC(=O)CCCO 1458a_100000740413_100011215043 [0,2,0,0,0,0|1,0,1]=4 28504 B14R1.33 Cc1ccc(cn1)CN(C)CCCO 2230a_100000213112_100016987292 [0,2,0,0,0,0|2,0,0]=4 28505 B14R1.33 Cc1ccc(cn1)CN(C)CCCO 2230a_106623407658_100000230001 [0,2,0,0,0,0|2,0,0]=4 28506 B14R1.33 Cc1ccc(cn1)CN(C)CCCO 269982a_100000213112_100016987292 [0,2,0,0,0,0|2,0,0]=4 28507 B14R1.33 Cc1ccc(cn1)CN(C)CCCO 269982a_106623407658_100011215043 [0,2,0,0,0,0|2,0,0]=4 28508 B14R1.33 Cc1ccc(cn1)CN(C)CCCO 270004a_100000213112_100000743784 [0,2,0,0,0,0|2,0,0]=4 28509 B14R1.33 Cc1ccc(cn1)CN(C)CCCO 34a_106623407658_100000230001 [0,2,0,0,0,0|2,0,0]=4 28510 B14R1.33 Cc1ccc(nc1)CC(=O)CCCO 1458a_100025705728_100011215043 [0,2,0,0,0,0|1,0,1]=4 28511 B14R1.33 Cc1ccc(nc1)CN(C)CCCO 2230a_100000213112_100000691093 [0,2,0,0,0,0|2,0,0]=4 28512 B14R1.33 Cc1ccc(nc1)CN(C)CCCO 2230a_200000717808_100000230001 [0,2,0,0,0,0|2,0,0]=4 28513 B14R1.33 Cc1ccc(nc1)CN(C)CCCO 269982a_100000213112_100000691093 [0,2,0,0,0,0|2,0,0]=4 28514 B14R1.33 Cc1ccc(nc1)CN(C)CCCO 269982a_200000717808_100011215043 [0,2,0,0,0,0|2,0,0]=4 28515 B14R1.33 Cc1ccc(nc1)CN(C)CCCO 270004a_100000213112_100000050478 [0,2,0,0,0,0|2,0,0]=4 28516 B14R1.33 NC(COCF)Cc1ccc(cc1)Cl 34a_100025702442_100015361967 [0,2,0,0,0,0|2,0,0]=4 28517 B14R1.33 O=C(CCCF)Cc1ccc(cc1)Br 1458a_100000198978_100011934791 [0,2,0,0,0,0|1,0,1]=4 28518 B14R1.33 O=C(CCCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011934791 [0,2,0,0,0,0|1,0,1]=4 28519 B14R1.33 O=C(CCCF)Cc1ccc(cc1)F 1458a_100000210951_100011934791 [0,2,0,0,0,0|1,0,1]=4 28520 B14R1.33 O=C(CCCF)Cc1ccc(cc1)I 1458a_100000688869_100011934791 [0,2,0,0,0,0|1,0,1]=4 28521 B14R1.33 O=C(CCCF)Cc1ccc(cc1)O 1458a_100000198540_100011934791 [0,2,0,0,0,0|1,0,1]=4 28522 B14R1.33 O=C(CCCO)Cc1ccc(cc1)Br 1458a_100000198978_100011215043 [0,2,0,0,0,0|0,0,1]=3 28523 B14R1.33 O=C(CCCO)Cc1ccc(cc1)Cl 1458a_100000211027_100011215043 [0,2,0,0,0,0|0,0,1]=3 28524 B14R1.33 O=C(CCCO)Cc1ccc(cc1)F 1458a_100000210951_100011215043 [0,2,0,0,0,0|0,0,1]=3 28525 B14R1.33 O=C(CCCO)Cc1ccc(cc1)I 1458a_100000688869_100011215043 [0,2,0,0,0,0|0,0,1]=3 28526 B14R1.33 O=C(CCCO)Cc1ccc(cc1)O 1458a_100000198540_100011215043 [0,2,0,0,0,0|0,0,1]=3 28527 B14R1.33 O=C(CCCO)Cc1ccc(cn1)Br 1458a_100020629044_100011215043 [0,2,0,0,0,0|1,0,1]=4 28528 B14R1.33 O=C(CCCO)Cc1ccc(cn1)Cl 1458a_100000728320_100011215043 [0,2,0,0,0,0|1,0,1]=4 28529 B14R1.33 O=C(CCCO)Cc1ccc(nc1)Br 1458a_100010067268_100011215043 [0,2,0,0,0,0|1,0,1]=4 28530 B14R1.33 O=C(CCCO)Cc1ccc(nc1)Cl 1458a_100000061944_100011215043 [0,2,0,0,0,0|1,0,1]=4 28531 B14R1.33 O=C(CCCO)Cn1ccc(=O)cc1 1458a_200000238563_100011215043 [0,2,0,0,0,0|1,0,1]=4 28532 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCO 240690a_100000210304_100000198978 [0,2,0,0,0,0|1,0,1]=4 28533 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCO 527a_100000210304_100000198978 [0,2,0,0,0,0|1,0,1]=4 28534 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000211027 [0,2,0,0,0,0|1,0,1]=4 28535 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCO 527a_100000210304_100000211027 [0,2,0,0,0,0|1,0,1]=4 28536 B14R1.33 O=C(Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000210951 [0,2,0,0,0,0|1,0,1]=4 28537 B14R1.33 O=C(Cc1ccc(cc1)F)NCCO 527a_100000210304_100000210951 [0,2,0,0,0,0|1,0,1]=4 28538 B14R1.33 O=C(Cc1ccc(cc1)I)NCCO 240690a_100000210304_100000688869 [0,2,0,0,0,0|1,0,1]=4 28539 B14R1.33 O=C(Cc1ccc(cc1)I)NCCO 527a_100000210304_100000688869 [0,2,0,0,0,0|1,0,1]=4 28540 B14R1.33 O=C(Cc1ccc(cc1)O)NCCO 240690a_100000210304_100000198540 [0,2,0,0,0,0|1,0,1]=4 28541 B14R1.33 O=C(Cc1ccc(cc1)O)NCCO 527a_100000210304_100000198540 [0,2,0,0,0,0|1,0,1]=4 28542 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)Cl 2230a_100015186341_200025704644 [0,2,0,0,0,0|1,0,0]=3 28543 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)Cl 269982a_100015186341_200025704644 [0,2,0,0,0,0|1,0,0]=3 28544 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)Cl 34a_100015186341_200025704644 [0,2,0,0,0,0|1,0,0]=3 28545 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)F 2230a_100000180847_200025704644 [0,2,0,0,0,0|1,0,0]=3 28546 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)F 269982a_100000180847_200025704644 [0,2,0,0,0,0|1,0,0]=3 28547 B14R1.33 [13CH3]N(CCCO)Cc1ccc(cc1)F 34a_100000180847_200025704644 [0,2,0,0,0,0|1,0,0]=3 28548 B14R1.502 CC(CCBr)OCc1ccc(cc1)Br 34a_100012276601_100000189115 [0,2,0,0,0,0|2,0,0]=4 28549 B14R1.502 CC(CCBr)OCc1ccc(cc1)Cl 34a_100012276601_100000694040 [0,2,0,0,0,0|2,0,0]=4 28550 B14R1.502 CC(CCBr)OCc1ccc(cc1)F 34a_100012276601_100000198546 [0,2,0,0,0,0|2,0,0]=4 28551 B14R1.502 CC(CCBr)OCc1ccc(cc1)I 34a_100012276601_100000189116 [0,2,0,0,0,0|2,0,0]=4 28552 B14R1.502 CC(CCO)NCc1ccc(cc1)Br 2230a_100000174875_100009893172 [0,2,0,0,0,0|1,0,0]=3 28553 B14R1.502 CC(CCO)NCc1ccc(cc1)Br 34a_100000174875_100009893172 [0,2,0,0,0,0|1,0,0]=3 28554 B14R1.502 CC(CCO)NCc1ccc(cc1)Cl 2230a_100000174871_100009893172 [0,2,0,0,0,0|1,0,0]=3 28555 B14R1.502 CC(CCO)NCc1ccc(cc1)Cl 34a_100000174871_100009893172 [0,2,0,0,0,0|1,0,0]=3 28556 B14R1.502 CC(CCO)NCc1ccc(cc1)F 2230a_100000174882_100009893172 [0,2,0,0,0,0|1,0,0]=3 28557 B14R1.502 CC(CCO)NCc1ccc(cc1)F 34a_100000174882_100009893172 [0,2,0,0,0,0|1,0,0]=3 28558 B14R1.502 CC(CCO)NCc1ccc(cc1)I 2230a_100016989417_100009893172 [0,2,0,0,0,0|1,0,0]=3 28559 B14R1.502 CC(CCO)NCc1ccc(cc1)I 34a_100016989417_100009893172 [0,2,0,0,0,0|1,0,0]=3 28560 B14R1.502 CC(CCO)NCc1ccc(cc1)O 34a_100000185549_100009893172 [0,2,0,0,0,0|1,0,0]=3 28561 B14R1.502 CC(CCO)NCc1ccc(cn1)Br 34a_100015188789_100009893172 [0,2,0,0,0,0|2,0,0]=4 28562 B14R1.502 CC(CCO)NCc1ccc(cn1)Cl 34a_100000697193_100009893172 [0,2,0,0,0,0|2,0,0]=4 28563 B14R1.502 CC(CCO)NCc1ccc(cn1)F 34a_100020620131_100009893172 [0,2,0,0,0,0|2,0,0]=4 28564 B14R1.502 CC(CCO)NCc1ccc(nc1)Br 2230a_100009817727_100009893172 [0,2,0,0,0,0|2,0,0]=4 28565 B14R1.502 CC(CCO)NCc1ccc(nc1)Br 34a_100009817727_100009893172 [0,2,0,0,0,0|2,0,0]=4 28566 B14R1.502 CC(CCO)NCc1ccc(nc1)Cl 2230a_100000735879_100009893172 [0,2,0,0,0,0|2,0,0]=4 28567 B14R1.502 CC(CCO)NCc1ccc(nc1)Cl 34a_100000735879_100009893172 [0,2,0,0,0,0|2,0,0]=4 28568 B14R1.502 CC(CCO)NCc1ccc(nc1)F 2230a_100000101913_100009893172 [0,2,0,0,0,0|2,0,0]=4 28569 B14R1.502 CC(CCO)NCc1ccc(nc1)F 34a_100000101913_100009893172 [0,2,0,0,0,0|2,0,0]=4 28570 B14R1.502 CC(CCO)NCc1ccc(nc1)O 2230a_100000757128_100009893172 [0,2,0,0,0,0|2,0,0]=4 28571 B14R1.502 CC(CCO)OCc1cc[n+](cc1)C 34a_100009831711_100009893172 [0,2,0,0,0,0|2,0,0]=4 28572 B14R1.502 CC(CCO)OCc1cc[n+](cc1)[O-] 34a_100000031831_100009893172 [0,2,0,0,0,0|2,0,0]=4 28573 B14R1.502 CC(CCO)OCc1cc[n+](cc1)[O-] 7a_100000031831_100009893172 [0,2,0,0,0,0|2,0,0]=4 28574 B14R1.502 CC(CCO)OCc1ccc(=O)[nH]c1 34a_100011999846_100009893172 [0,2,0,0,0,0|2,0,0]=4 28575 B14R1.502 CC(CCO)OCc1ccc(cc1)Br 34a_100000695286_100009893172 [0,2,0,0,0,0|1,0,0]=3 28576 B14R1.502 CC(CCO)OCc1ccc(cc1)Cl 34a_100000211118_100009893172 [0,2,0,0,0,0|1,0,0]=3 28577 B14R1.502 CC(CCO)OCc1ccc(cc1)Cl 7a_100000211118_100009893172 [0,2,0,0,0,0|1,0,0]=3 28578 B14R1.502 CC(CCO)OCc1ccc(cc1)F 34a_100000210977_100009893172 [0,2,0,0,0,0|1,0,0]=3 28579 B14R1.502 CC(CCO)OCc1ccc(cc1)F 7a_100000210977_100009893172 [0,2,0,0,0,0|1,0,0]=3 28580 B14R1.502 CC(CCO)OCc1ccc(cc1)I 34a_100000690907_100009893172 [0,2,0,0,0,0|1,0,0]=3 28581 B14R1.502 CC(CCO)OCc1ccc(cc1)I 7a_100000690907_100009893172 [0,2,0,0,0,0|1,0,0]=3 28582 B14R1.502 CC(CCO)OCc1ccc(cc1)N 34a_100011215238_100009893172 [0,2,0,0,0,0|1,0,0]=3 28583 B14R1.502 CC(CCO)OCc1ccc(cn1)Br 34a_100000754261_100009893172 [0,2,0,0,0,0|2,0,0]=4 28584 B14R1.502 CC(CCO)OCc1ccc(cn1)Cl 34a_100000703999_100009893172 [0,2,0,0,0,0|2,0,0]=4 28585 B14R1.502 CC(CCO)OCc1ccc(cn1)F 34a_100011999454_100009893172 [0,2,0,0,0,0|2,0,0]=4 28586 B14R1.502 CC(CCO)OCc1ccc(cn1)N 34a_100011998161_100009893172 [0,2,0,0,0,0|2,0,0]=4 28587 B14R1.502 CC(CCO)OCc1ccc(nc1)Br 34a_100009816760_100009893172 [0,2,0,0,0,0|2,0,0]=4 28588 B14R1.502 CC(CCO)OCc1ccc(nc1)Br 7a_100009816760_100009893172 [0,2,0,0,0,0|2,0,0]=4 28589 B14R1.502 CC(CCO)OCc1ccc(nc1)Cl 34a_100000755211_100009893172 [0,2,0,0,0,0|2,0,0]=4 28590 B14R1.502 CC(CCO)OCc1ccc(nc1)Cl 7a_100000755211_100009893172 [0,2,0,0,0,0|2,0,0]=4 28591 B14R1.502 CC(CCO)OCc1ccc(nc1)F 34a_100000079959_100009893172 [0,2,0,0,0,0|2,0,0]=4 28592 B14R1.502 CC(CCO)OCc1ccc(nc1)N 34a_100000704267_100009893172 [0,2,0,0,0,0|2,0,0]=4 28593 B14R1.502 CC(CCO)SCc1ccc(cc1)Br 62a_100000189115_100009893172 [0,2,0,0,0,0|1,0,0]=3 28594 B14R1.502 CC(CCO)SCc1ccc(cc1)Br 62a_100009893172_100000189115 [0,2,0,0,0,0|1,0,0]=3 28595 B14R1.502 CC(CCO)SCc1ccc(cc1)Cl 62a_100000187161_100009893172 [0,2,0,0,0,0|1,0,0]=3 28596 B14R1.502 CC(CCO)SCc1ccc(cc1)Cl 62a_100009893172_100000187161 [0,2,0,0,0,0|1,0,0]=3 28597 B14R1.502 CC(CCO)SCc1ccc(cc1)F 62a_100000198546_100009893172 [0,2,0,0,0,0|1,0,0]=3 28598 B14R1.502 CC(CCO)SCc1ccc(cc1)F 62a_100009893172_100000187164 [0,2,0,0,0,0|1,0,0]=3 28599 B14R1.502 CC(CCO)SCc1ccc(cc1)I 62a_100000189116_100009893172 [0,2,0,0,0,0|1,0,0]=3 28600 B14R1.502 CC(CCO)SCc1ccc(cc1)I 62a_100009893172_100000189116 [0,2,0,0,0,0|1,0,0]=3 28601 B14R1.502 CC(CCO)SCc1ccc(cn1)Br 62a_100000702658_100009893172 [0,2,0,0,0,0|2,0,0]=4 28602 B14R1.502 CC(CCO)SCc1ccc(cn1)Br 62a_100009893172_100000702658 [0,2,0,0,0,0|2,0,0]=4 28603 B14R1.502 CC(CCO)SCc1ccc(cn1)Cl 62a_100009893172_100000697101 [0,2,0,0,0,0|2,0,0]=4 28604 B14R1.502 CC(CCO)SCc1ccc(cn1)Cl 62a_100012066911_100009893172 [0,2,0,0,0,0|2,0,0]=4 28605 B14R1.502 CC(CCO)SCc1ccc(cn1)F 62a_100000703193_100009893172 [0,2,0,0,0,0|2,0,0]=4 28606 B14R1.502 CC(CCO)SCc1ccc(cn1)F 62a_100009893172_100000703193 [0,2,0,0,0,0|2,0,0]=4 28607 B14R1.502 CC(CCO)SCc1ccc(nc1)Br 62a_100009831999_100009893172 [0,2,0,0,0,0|2,0,0]=4 28608 B14R1.502 CC(CCO)SCc1ccc(nc1)Br 62a_100009893172_100009831999 [0,2,0,0,0,0|2,0,0]=4 28609 B14R1.502 CC(CCO)SCc1ccc(nc1)Cl 62a_100000735431_100009893172 [0,2,0,0,0,0|2,0,0]=4 28610 B14R1.502 CC(CCO)SCc1ccc(nc1)Cl 62a_100009893172_100000735431 [0,2,0,0,0,0|2,0,0]=4 28611 B14R1.502 CC(CCO)SCc1ccc(nc1)F 62a_100009820150_100009893172 [0,2,0,0,0,0|2,0,0]=4 28612 B14R1.502 CC(CCO)SCc1ccc(nc1)F 62a_100009893172_100000099788 [0,2,0,0,0,0|2,0,0]=4 28613 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000211992_100011740612 [0,2,0,0,0,0|1,0,1]=4 28614 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210303 [0,2,0,0,0,0|1,0,1]=4 28615 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000211992_100011713686 [0,2,0,0,0,0|1,0,1]=4 28616 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210303 [0,2,0,0,0,0|1,0,1]=4 28617 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000211992_100011713675 [0,2,0,0,0,0|1,0,1]=4 28618 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210303 [0,2,0,0,0,0|1,0,1]=4 28619 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210303 [0,2,0,0,0,0|1,0,1]=4 28620 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000211992_100011217392 [0,2,0,0,0,0|1,0,1]=4 28621 B14R1.502 CCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210303 [0,2,0,0,0,0|1,0,1]=4 28622 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000211992_100009816426 [0,2,0,0,0,0|1,0,1]=4 28623 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210303 [0,2,0,0,0,0|1,0,1]=4 28624 B14R1.502 CCCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100011216630 [0,2,0,0,0,0|2,0,0]=4 28625 B14R1.502 CCCC(C)CNc1ccc(cc1)Br 34a_100000210018_100011216630 [0,2,0,0,0,0|2,0,0]=4 28626 B14R1.502 CCCC(C)CNc1ccc(cc1)C 34a_100000124888_100011216630 [0,2,0,0,0,0|2,0,0]=4 28627 B14R1.502 CCCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100011216630 [0,2,0,0,0,0|2,0,0]=4 28628 B14R1.502 CCCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100011216630 [0,2,0,0,0,0|2,0,0]=4 28629 B14R1.502 CCCC(C)CNc1ccc(cc1)F 34a_100000185862_100011216630 [0,2,0,0,0,0|2,0,0]=4 28630 B14R1.502 CCCC(C)CNc1ccc(cc1)I 34a_100000185761_100011216630 [0,2,0,0,0,0|2,0,0]=4 28631 B14R1.502 CCCC(C)CNc1ccc(cc1)O 34a_100000185829_100011216630 [0,2,0,0,0,0|2,0,0]=4 28632 B14R1.502 CCCC(C)COc1ccc(cc1)Br 34a_100000185759_100011216630 [0,2,0,0,0,0|2,0,0]=4 28633 B14R1.502 CCCC(C)COc1ccc(cc1)Br 7a_100000185759_100011216630 [0,2,0,0,0,0|2,0,0]=4 28634 B14R1.502 CCCC(C)COc1ccc(cc1)C 34a_100000210336_100011216630 [0,2,0,0,0,0|2,0,0]=4 28635 B14R1.502 CCCC(C)COc1ccc(cc1)C 7a_100000210336_100011216630 [0,2,0,0,0,0|2,0,0]=4 28636 B14R1.502 CCCC(C)COc1ccc(cc1)Cl 34a_100000210216_100011216630 [0,2,0,0,0,0|2,0,0]=4 28637 B14R1.502 CCCC(C)COc1ccc(cc1)Cl 7a_100000210216_100011216630 [0,2,0,0,0,0|2,0,0]=4 28638 B14R1.502 CCCC(C)COc1ccc(cc1)F 34a_100000210339_100011216630 [0,2,0,0,0,0|2,0,0]=4 28639 B14R1.502 CCCC(C)COc1ccc(cc1)I 34a_100000212066_100011216630 [0,2,0,0,0,0|2,0,0]=4 28640 B14R1.502 CCCC(C)COc1ccc(cc1)I 7a_100000212066_100011216630 [0,2,0,0,0,0|2,0,0]=4 28641 B14R1.502 CCCC(C)COc1ccc(cc1)N 34a_100000185829_100011216630 [0,2,0,0,0,0|2,0,0]=4 28642 B14R1.502 CCCC(C)CSc1ccc(cc1)Br 62a_100000752885_100011216630 [0,2,0,0,0,0|2,0,0]=4 28643 B14R1.502 CCCC(C)CSc1ccc(cc1)Br 62a_100011216630_100000752885 [0,2,0,0,0,0|2,0,0]=4 28644 B14R1.502 CCCC(C)CSc1ccc(cc1)C 62a_100000186775_100011216630 [0,2,0,0,0,0|2,0,0]=4 28645 B14R1.502 CCCC(C)CSc1ccc(cc1)C 62a_100011216630_100000186775 [0,2,0,0,0,0|2,0,0]=4 28646 B14R1.502 CCCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100011216630 [0,2,0,0,0,0|2,0,0]=4 28647 B14R1.502 CCCC(C)CSc1ccc(cc1)Cl 62a_100011216630_100000755918 [0,2,0,0,0,0|2,0,0]=4 28648 B14R1.502 CCCC(C)CSc1ccc(cc1)F 62a_100000211213_100011216630 [0,2,0,0,0,0|2,0,0]=4 28649 B14R1.502 CCCC(C)CSc1ccc(cc1)F 62a_100011216630_100000211213 [0,2,0,0,0,0|2,0,0]=4 28650 B14R1.502 CCCC(C)CSc1ccc(cc1)N 62a_100000185761_100011216630 [0,2,0,0,0,0|2,0,0]=4 28651 B14R1.502 CCCC(C)CSc1ccc(cc1)N 62a_100011216630_100000185761 [0,2,0,0,0,0|2,0,0]=4 28652 B14R1.502 CCCC(C)CSc1ccc(cc1)O 62a_100011216630_100000185759 [0,2,0,0,0,0|2,0,0]=4 28653 B14R1.502 CCCC(C)NCc1ccc(cc1)Br 207a_100000741246_100000186029 [0,2,0,0,0,0|2,0,0]=4 28654 B14R1.502 CCCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000766640 [0,2,0,0,0,0|2,0,0]=4 28655 B14R1.502 CCCC(C)NCc1ccc(cc1)Br 2230a_100000741246_100011217064 [0,2,0,0,0,0|2,0,0]=4 28656 B14R1.502 CCCC(C)NCc1ccc(cc1)Br 270004a_100000174875_100000211909 [0,2,0,0,0,0|2,0,0]=4 28657 B14R1.502 CCCC(C)NCc1ccc(cc1)Br 270004a_100000741246_100000186029 [0,2,0,0,0,0|2,0,0]=4 28658 B14R1.502 CCCC(C)NCc1ccc(cc1)Br 34a_100000174875_100000766640 [0,2,0,0,0,0|2,0,0]=4 28659 B14R1.502 CCCC(C)NCc1ccc(cc1)C 207a_100000741246_100000211033 [0,2,0,0,0,0|2,0,0]=4 28660 B14R1.502 CCCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000766640 [0,2,0,0,0,0|2,0,0]=4 28661 B14R1.502 CCCC(C)NCc1ccc(cc1)C 2230a_100000741246_100000210814 [0,2,0,0,0,0|2,0,0]=4 28662 B14R1.502 CCCC(C)NCc1ccc(cc1)C 270004a_100000174908_100000211909 [0,2,0,0,0,0|2,0,0]=4 28663 B14R1.502 CCCC(C)NCc1ccc(cc1)C 270004a_100000741246_100000211033 [0,2,0,0,0,0|2,0,0]=4 28664 B14R1.502 CCCC(C)NCc1ccc(cc1)C 34a_100000174908_100000766640 [0,2,0,0,0,0|2,0,0]=4 28665 B14R1.502 CCCC(C)NCc1ccc(cc1)Cl 207a_100000741246_100000189385 [0,2,0,0,0,0|2,0,0]=4 28666 B14R1.502 CCCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000766640 [0,2,0,0,0,0|2,0,0]=4 28667 B14R1.502 CCCC(C)NCc1ccc(cc1)Cl 2230a_100000741246_100000694040 [0,2,0,0,0,0|2,0,0]=4 28668 B14R1.502 CCCC(C)NCc1ccc(cc1)Cl 270004a_100000174871_100000211909 [0,2,0,0,0,0|2,0,0]=4 28669 B14R1.502 CCCC(C)NCc1ccc(cc1)Cl 270004a_100000741246_100000189385 [0,2,0,0,0,0|2,0,0]=4 28670 B14R1.502 CCCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100000766640 [0,2,0,0,0,0|2,0,0]=4 28671 B14R1.502 CCCC(C)NCc1ccc(cc1)F 207a_100000741246_100000210084 [0,2,0,0,0,0|2,0,0]=4 28672 B14R1.502 CCCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000766640 [0,2,0,0,0,0|2,0,0]=4 28673 B14R1.502 CCCC(C)NCc1ccc(cc1)F 2230a_100000741246_100000198546 [0,2,0,0,0,0|2,0,0]=4 28674 B14R1.502 CCCC(C)NCc1ccc(cc1)F 270004a_100000174882_100000211909 [0,2,0,0,0,0|2,0,0]=4 28675 B14R1.502 CCCC(C)NCc1ccc(cc1)F 270004a_100000741246_100000210084 [0,2,0,0,0,0|2,0,0]=4 28676 B14R1.502 CCCC(C)NCc1ccc(cc1)F 34a_100000174882_100000766640 [0,2,0,0,0,0|2,0,0]=4 28677 B14R1.502 CCCC(C)NCc1ccc(cc1)I 207a_100000741246_100000188517 [0,2,0,0,0,0|2,0,0]=4 28678 B14R1.502 CCCC(C)NCc1ccc(cc1)I 2230a_100000741246_100000189116 [0,2,0,0,0,0|2,0,0]=4 28679 B14R1.502 CCCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000766640 [0,2,0,0,0,0|2,0,0]=4 28680 B14R1.502 CCCC(C)NCc1ccc(cc1)I 270004a_100016989417_100000211909 [0,2,0,0,0,0|2,0,0]=4 28681 B14R1.502 CCCC(C)NCc1ccc(cc1)I 34a_100016989417_100000766640 [0,2,0,0,0,0|2,0,0]=4 28682 B14R1.502 CCCC(C)NCc1ccc(cc1)O 34a_100000185549_100000766640 [0,2,0,0,0,0|2,0,0]=4 28683 B14R1.502 CCCC(C)OCc1ccc(cc1)Br 34a_100000695286_100000766640 [0,2,0,0,0,0|2,0,0]=4 28684 B14R1.502 CCCC(C)OCc1ccc(cc1)Br 34a_100000764384_100000189115 [0,2,0,0,0,0|2,0,0]=4 28685 B14R1.502 CCCC(C)OCc1ccc(cc1)Br 7a_100000764384_100011217064 [0,2,0,0,0,0|2,0,0]=4 28686 B14R1.502 CCCC(C)OCc1ccc(cc1)C 34a_100000764384_100000210814 [0,2,0,0,0,0|2,0,0]=4 28687 B14R1.502 CCCC(C)OCc1ccc(cc1)C 34a_100011215236_100000766640 [0,2,0,0,0,0|2,0,0]=4 28688 B14R1.502 CCCC(C)OCc1ccc(cc1)C 7a_100000764384_100000210814 [0,2,0,0,0,0|2,0,0]=4 28689 B14R1.502 CCCC(C)OCc1ccc(cc1)C 7a_100011215236_100000766640 [0,2,0,0,0,0|2,0,0]=4 28690 B14R1.502 CCCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100000766640 [0,2,0,0,0,0|2,0,0]=4 28691 B14R1.502 CCCC(C)OCc1ccc(cc1)Cl 34a_100000764384_100000694040 [0,2,0,0,0,0|2,0,0]=4 28692 B14R1.502 CCCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000766640 [0,2,0,0,0,0|2,0,0]=4 28693 B14R1.502 CCCC(C)OCc1ccc(cc1)Cl 7a_100000764384_100000187161 [0,2,0,0,0,0|2,0,0]=4 28694 B14R1.502 CCCC(C)OCc1ccc(cc1)F 34a_100000210977_100000766640 [0,2,0,0,0,0|2,0,0]=4 28695 B14R1.502 CCCC(C)OCc1ccc(cc1)F 34a_100000764384_100000198546 [0,2,0,0,0,0|2,0,0]=4 28696 B14R1.502 CCCC(C)OCc1ccc(cc1)F 7a_100000210977_100000766640 [0,2,0,0,0,0|2,0,0]=4 28697 B14R1.502 CCCC(C)OCc1ccc(cc1)F 7a_100000764384_100000198546 [0,2,0,0,0,0|2,0,0]=4 28698 B14R1.502 CCCC(C)OCc1ccc(cc1)I 34a_100000690907_100000766640 [0,2,0,0,0,0|2,0,0]=4 28699 B14R1.502 CCCC(C)OCc1ccc(cc1)I 34a_100000764384_100000189116 [0,2,0,0,0,0|2,0,0]=4 28700 B14R1.502 CCCC(C)OCc1ccc(cc1)I 7a_100000690907_100000766640 [0,2,0,0,0,0|2,0,0]=4 28701 B14R1.502 CCCC(C)OCc1ccc(cc1)I 7a_100000764384_100000189116 [0,2,0,0,0,0|2,0,0]=4 28702 B14R1.502 CCCC(C)OCc1ccc(cc1)N 34a_100011215238_100000766640 [0,2,0,0,0,0|2,0,0]=4 28703 B14R1.502 CCCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000766640 [0,2,0,0,0,0|2,0,0]=4 28704 B14R1.502 CCCC(C)SCc1ccc(cc1)Br 62a_100000766640_100000189115 [0,2,0,0,0,0|2,0,0]=4 28705 B14R1.502 CCCC(C)SCc1ccc(cc1)C 62a_100000210814_100000766640 [0,2,0,0,0,0|2,0,0]=4 28706 B14R1.502 CCCC(C)SCc1ccc(cc1)C 62a_100000766640_100000210814 [0,2,0,0,0,0|2,0,0]=4 28707 B14R1.502 CCCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000766640 [0,2,0,0,0,0|2,0,0]=4 28708 B14R1.502 CCCC(C)SCc1ccc(cc1)Cl 62a_100000766640_100000187161 [0,2,0,0,0,0|2,0,0]=4 28709 B14R1.502 CCCC(C)SCc1ccc(cc1)F 62a_100000198546_100000766640 [0,2,0,0,0,0|2,0,0]=4 28710 B14R1.502 CCCC(C)SCc1ccc(cc1)F 62a_100000766640_100000187164 [0,2,0,0,0,0|2,0,0]=4 28711 B14R1.502 CCCC(C)SCc1ccc(cc1)I 62a_100000189116_100000766640 [0,2,0,0,0,0|2,0,0]=4 28712 B14R1.502 CCCC(C)SCc1ccc(cc1)I 62a_100000766640_100000189116 [0,2,0,0,0,0|2,0,0]=4 28713 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 2230a_100000747261_100011740612 [0,2,0,0,0,0|2,0,0]=4 28714 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210303 [0,2,0,0,0,0|2,0,0]=4 28715 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 269982a_100000747261_100011740612 [0,2,0,0,0,0|2,0,0]=4 28716 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000210303 [0,2,0,0,0,0|2,0,0]=4 28717 B14R1.502 CCCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210303 [0,2,0,0,0,0|2,0,0]=4 28718 B14R1.502 CCCN(C)CCc1ccc(cc1)C 2230a_100000747261_100011713686 [0,2,0,0,0,0|2,0,0]=4 28719 B14R1.502 CCCN(C)CCc1ccc(cc1)C 269982a_100000747261_100011713686 [0,2,0,0,0,0|2,0,0]=4 28720 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210303 [0,2,0,0,0,0|2,0,0]=4 28721 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 2230a_100000747261_100011713675 [0,2,0,0,0,0|2,0,0]=4 28722 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000210303 [0,2,0,0,0,0|2,0,0]=4 28723 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 269982a_100000747261_100011713675 [0,2,0,0,0,0|2,0,0]=4 28724 B14R1.502 CCCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210303 [0,2,0,0,0,0|2,0,0]=4 28725 B14R1.502 CCCN(C)CCc1ccc(cc1)F 2230a_100000747261_100011217392 [0,2,0,0,0,0|2,0,0]=4 28726 B14R1.502 CCCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210303 [0,2,0,0,0,0|2,0,0]=4 28727 B14R1.502 CCCN(C)CCc1ccc(cc1)F 269982a_100000747261_100011217392 [0,2,0,0,0,0|2,0,0]=4 28728 B14R1.502 CCCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000210303 [0,2,0,0,0,0|2,0,0]=4 28729 B14R1.502 CCCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210303 [0,2,0,0,0,0|2,0,0]=4 28730 B14R1.502 CCCN(C)CCc1ccc(cc1)O 2230a_100000747261_100009816426 [0,2,0,0,0,0|2,0,0]=4 28731 B14R1.502 CCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210303 [0,2,0,0,0,0|2,0,0]=4 28732 B14R1.502 CCCN(C)CCc1ccc(cc1)O 269982a_100000747261_100009816426 [0,2,0,0,0,0|2,0,0]=4 28733 B14R1.502 CCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000210303 [0,2,0,0,0,0|2,0,0]=4 28734 B14R1.502 CCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210303 [0,2,0,0,0,0|2,0,0]=4 28735 B14R1.502 CCNC(C)CCc1ccc(cc1)Cl 270004a_100015525214_100011279170 [0,2,0,0,0,0|2,0,0]=4 28736 B14R1.502 CCNC(C)CCc1ccc(cc1)F 270004a_100015525214_100000743244 [0,2,0,0,0,0|2,0,0]=4 28737 B14R1.502 CCNC(C)CCc1ccc(cc1)I 270004a_100015525214_100000723691 [0,2,0,0,0,0|2,0,0]=4 28738 B14R1.502 CCNC(C)CCc1ccc(cc1)O 270004a_100015525214_100000198047 [0,2,0,0,0,0|2,0,0]=4 28739 B14R1.502 CN(CCF)CCc1ccc(cc1)Br 2230a_100000752880_100011217306 [0,2,0,0,0,0|2,0,0]=4 28740 B14R1.502 CN(CCF)CCc1ccc(cc1)Br 269982a_100000752880_100011217306 [0,2,0,0,0,0|2,0,0]=4 28741 B14R1.502 CN(CCF)CCc1ccc(cc1)Br 34a_100000752880_100011217306 [0,2,0,0,0,0|2,0,0]=4 28742 B14R1.502 CN(CCF)CCc1ccc(cc1)Cl 2230a_100000698262_100011217306 [0,2,0,0,0,0|2,0,0]=4 28743 B14R1.502 CN(CCF)CCc1ccc(cc1)Cl 269982a_100000698262_100011217306 [0,2,0,0,0,0|2,0,0]=4 28744 B14R1.502 CN(CCF)CCc1ccc(cc1)Cl 34a_100000698262_100011217306 [0,2,0,0,0,0|2,0,0]=4 28745 B14R1.502 CN(CCF)CCc1ccc(cc1)F 2230a_100102946585_100011217306 [0,2,0,0,0,0|2,0,0]=4 28746 B14R1.502 CN(CCF)CCc1ccc(cc1)F 269982a_100102946585_100011217306 [0,2,0,0,0,0|2,0,0]=4 28747 B14R1.502 CN(CCF)CCc1ccc(cc1)F 34a_100102946585_100011217306 [0,2,0,0,0,0|2,0,0]=4 28748 B14R1.502 CN(CCF)CCc1ccc(cc1)O 2230a_100016989440_100011217306 [0,2,0,0,0,0|2,0,0]=4 28749 B14R1.502 CN(CCF)CCc1ccc(cc1)O 269982a_100016989440_100011217306 [0,2,0,0,0,0|2,0,0]=4 28750 B14R1.502 CN(CCF)CCc1ccc(cc1)O 34a_100016989440_100011217306 [0,2,0,0,0,0|2,0,0]=4 28751 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 2230a_100000210263_100011740612 [0,2,0,0,0,0|1,0,0]=3 28752 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 2230a_100000752880_100000211926 [0,2,0,0,0,0|1,0,0]=3 28753 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 269982a_100000210263_100011740612 [0,2,0,0,0,0|1,0,0]=3 28754 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 269982a_100000752880_100000211926 [0,2,0,0,0,0|1,0,0]=3 28755 B14R1.502 CN(CCO)CCc1ccc(cc1)Br 34a_100000752880_100000211926 [0,2,0,0,0,0|1,0,0]=3 28756 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 2230a_100000210263_100011713675 [0,2,0,0,0,0|1,0,0]=3 28757 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 2230a_100000698262_100000211926 [0,2,0,0,0,0|1,0,0]=3 28758 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 269982a_100000210263_100011713675 [0,2,0,0,0,0|1,0,0]=3 28759 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 269982a_100000698262_100000211926 [0,2,0,0,0,0|1,0,0]=3 28760 B14R1.502 CN(CCO)CCc1ccc(cc1)Cl 34a_100000698262_100000211926 [0,2,0,0,0,0|1,0,0]=3 28761 B14R1.502 CN(CCO)CCc1ccc(cc1)F 2230a_100000210263_100011217392 [0,2,0,0,0,0|1,0,0]=3 28762 B14R1.502 CN(CCO)CCc1ccc(cc1)F 2230a_100102946585_100000211926 [0,2,0,0,0,0|1,0,0]=3 28763 B14R1.502 CN(CCO)CCc1ccc(cc1)F 269982a_100000210263_100011217392 [0,2,0,0,0,0|1,0,0]=3 28764 B14R1.502 CN(CCO)CCc1ccc(cc1)F 269982a_100102946585_100000211926 [0,2,0,0,0,0|1,0,0]=3 28765 B14R1.502 CN(CCO)CCc1ccc(cc1)F 34a_100102946585_100000211926 [0,2,0,0,0,0|1,0,0]=3 28766 B14R1.502 CN(CCO)CCc1ccc(cc1)O 2230a_100000210263_100009816426 [0,2,0,0,0,0|1,0,0]=3 28767 B14R1.502 CN(CCO)CCc1ccc(cc1)O 2230a_100016989440_100000211926 [0,2,0,0,0,0|1,0,0]=3 28768 B14R1.502 CN(CCO)CCc1ccc(cc1)O 269982a_100000210263_100009816426 [0,2,0,0,0,0|1,0,0]=3 28769 B14R1.502 CN(CCO)CCc1ccc(cc1)O 269982a_100016989440_100000211926 [0,2,0,0,0,0|1,0,0]=3 28770 B14R1.502 CN(CCO)CCc1ccc(cc1)O 34a_100016989440_100000211926 [0,2,0,0,0,0|1,0,0]=3 28771 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Br 207a_100000706166_100000186029 [0,2,0,0,0,0|1,0,0]=3 28772 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Br 2230a_100000706166_100011217064 [0,2,0,0,0,0|1,0,0]=3 28773 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Br 270004a_100000706166_100000186029 [0,2,0,0,0,0|1,0,0]=3 28774 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Br 34a_100000706166_100000189115 [0,2,0,0,0,0|1,0,0]=3 28775 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 207a_100000706166_100000189385 [0,2,0,0,0,0|1,0,0]=3 28776 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 2230a_100000706166_100000694040 [0,2,0,0,0,0|1,0,0]=3 28777 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 270004a_100000706166_100000189385 [0,2,0,0,0,0|1,0,0]=3 28778 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)Cl 34a_100000706166_100000694040 [0,2,0,0,0,0|1,0,0]=3 28779 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)F 207a_100000706166_100000210084 [0,2,0,0,0,0|1,0,0]=3 28780 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)F 2230a_100000706166_100000198546 [0,2,0,0,0,0|1,0,0]=3 28781 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)F 270004a_100000706166_100000210084 [0,2,0,0,0,0|1,0,0]=3 28782 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)F 34a_100000706166_100000198546 [0,2,0,0,0,0|1,0,0]=3 28783 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)I 207a_100000706166_100000188517 [0,2,0,0,0,0|1,0,0]=3 28784 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)I 2230a_100000706166_100000189116 [0,2,0,0,0,0|1,0,0]=3 28785 B14R1.502 C[C@H](CCO)NCc1ccc(cc1)I 34a_100000706166_100000189116 [0,2,0,0,0,0|1,0,0]=3 28786 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Br 207a_100000706166_100000754260 [0,2,0,0,0,0|2,0,0]=4 28787 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Br 2230a_100000706166_100000702658 [0,2,0,0,0,0|2,0,0]=4 28788 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Br 270004a_100000706166_100000754260 [0,2,0,0,0,0|2,0,0]=4 28789 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Br 34a_100000706166_100000702658 [0,2,0,0,0,0|2,0,0]=4 28790 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Cl 207a_100000706166_100011361569 [0,2,0,0,0,0|2,0,0]=4 28791 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Cl 2230a_100000706166_100012066911 [0,2,0,0,0,0|2,0,0]=4 28792 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Cl 270004a_100000706166_100011361569 [0,2,0,0,0,0|2,0,0]=4 28793 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)Cl 34a_100000706166_100012066911 [0,2,0,0,0,0|2,0,0]=4 28794 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)F 207a_100000706166_100011934744 [0,2,0,0,0,0|2,0,0]=4 28795 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)F 2230a_100000706166_100000703193 [0,2,0,0,0,0|2,0,0]=4 28796 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)F 270004a_100000706166_100011934744 [0,2,0,0,0,0|2,0,0]=4 28797 B14R1.502 C[C@H](CCO)NCc1ccc(cn1)F 34a_100000706166_100000703193 [0,2,0,0,0,0|2,0,0]=4 28798 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)Br 2230a_100000706166_100009831999 [0,2,0,0,0,0|2,0,0]=4 28799 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)Br 34a_100000706166_100009831999 [0,2,0,0,0,0|2,0,0]=4 28800 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)Cl 2230a_100000706166_100000735431 [0,2,0,0,0,0|2,0,0]=4 28801 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)Cl 34a_100000706166_100000735431 [0,2,0,0,0,0|2,0,0]=4 28802 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)F 2230a_100000706166_100009820150 [0,2,0,0,0,0|2,0,0]=4 28803 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)F 34a_100000706166_100000099788 [0,2,0,0,0,0|2,0,0]=4 28804 B14R1.502 C[C@H](CCO)NCc1ccc(nc1)O 207a_100000706166_100011361521 [0,2,0,0,0,0|2,0,0]=4 28805 B14R1.502 Cc1ccc(cc1)CCC(=O)CCF 1458a_100000234883_100011217306 [0,2,0,0,0,0|1,0,1]=4 28806 B14R1.502 Cc1ccc(cc1)CCC(=O)CCO 1458a_100000234883_100000211926 [0,2,0,0,0,0|0,0,1]=3 28807 B14R1.502 Cc1ccc(cc1)CCC(=O)CCO 1458a_100011216618_100011713686 [0,2,0,0,0,0|0,0,1]=3 28808 B14R1.502 Cc1ccc(cc1)CCN(C)CCO 2230a_100000210263_100011713686 [0,2,0,0,0,0|1,0,0]=3 28809 B14R1.502 Cc1ccc(cc1)CCN(C)CCO 269982a_100000210263_100011713686 [0,2,0,0,0,0|1,0,0]=3 28810 B14R1.502 Cc1ccc(cc1)CNC(=O)CCO 240690a_100000174908_100011216618 [0,2,0,0,0,0|1,0,1]=4 28811 B14R1.502 Cc1ccc(cc1)CNC(C)CCO 2230a_100000174908_100009893172 [0,2,0,0,0,0|1,0,0]=3 28812 B14R1.502 Cc1ccc(cc1)CNC(C)CCO 34a_100000174908_100009893172 [0,2,0,0,0,0|1,0,0]=3 28813 B14R1.502 Cc1ccc(cc1)CN[C@H](C)CCO 207a_100000706166_100000211033 [0,2,0,0,0,0|1,0,0]=3 28814 B14R1.502 Cc1ccc(cc1)CN[C@H](C)CCO 2230a_100000706166_100000210814 [0,2,0,0,0,0|1,0,0]=3 28815 B14R1.502 Cc1ccc(cc1)CN[C@H](C)CCO 270004a_100000706166_100000211033 [0,2,0,0,0,0|1,0,0]=3 28816 B14R1.502 Cc1ccc(cc1)CN[C@H](C)CCO 34a_100000706166_100000210814 [0,2,0,0,0,0|1,0,0]=3 28817 B14R1.502 Cc1ccc(cc1)COC(C)CCBr 34a_100012276601_100000210814 [0,2,0,0,0,0|2,0,0]=4 28818 B14R1.502 Cc1ccc(cc1)COC(C)CCO 34a_100011215236_100009893172 [0,2,0,0,0,0|1,0,0]=3 28819 B14R1.502 Cc1ccc(cc1)COC(C)CCO 7a_100011215236_100009893172 [0,2,0,0,0,0|1,0,0]=3 28820 B14R1.502 Cc1ccc(cc1)CSC(C)CCO 62a_100000210814_100009893172 [0,2,0,0,0,0|1,0,0]=3 28821 B14R1.502 Cc1ccc(cc1)CSC(C)CCO 62a_100009893172_100000210814 [0,2,0,0,0,0|1,0,0]=3 28822 B14R1.502 Cc1ccc(cc1)OCC(=O)CCO 1458a_100000182360_100000211926 [0,2,0,0,0,0|1,0,1]=4 28823 B14R1.502 Cc1ccc(cc1)SCC(=O)CCO 1458a_100000179497_100000211926 [0,2,0,0,0,0|1,0,1]=4 28824 B14R1.502 Cc1ccc(cn1)CNC(C)CCO 34a_100000740942_100009893172 [0,2,0,0,0,0|2,0,0]=4 28825 B14R1.502 Cc1ccc(cn1)CN[C@H](C)CCO 2230a_100000706166_100016987292 [0,2,0,0,0,0|2,0,0]=4 28826 B14R1.502 Cc1ccc(cn1)CN[C@H](C)CCO 270004a_100000706166_100000743784 [0,2,0,0,0,0|2,0,0]=4 28827 B14R1.502 Cc1ccc(cn1)CN[C@H](C)CCO 34a_100000706166_100016987292 [0,2,0,0,0,0|2,0,0]=4 28828 B14R1.502 Cc1ccc(cn1)COC(C)CCO 34a_100011248133_100009893172 [0,2,0,0,0,0|2,0,0]=4 28829 B14R1.502 Cc1ccc(cn1)CSC(C)CCO 62a_100009893172_100016987292 [0,2,0,0,0,0|2,0,0]=4 28830 B14R1.502 Cc1ccc(cn1)CSC(C)CCO 62a_100016987292_100009893172 [0,2,0,0,0,0|2,0,0]=4 28831 B14R1.502 Cc1ccc(nc1)CNC(C)CCO 34a_100015187455_100009893172 [0,2,0,0,0,0|2,0,0]=4 28832 B14R1.502 Cc1ccc(nc1)CN[C@H](C)CCO 207a_100000706166_100000050478 [0,2,0,0,0,0|2,0,0]=4 28833 B14R1.502 Cc1ccc(nc1)CN[C@H](C)CCO 2230a_100000706166_100000691093 [0,2,0,0,0,0|2,0,0]=4 28834 B14R1.502 Cc1ccc(nc1)CN[C@H](C)CCO 270004a_100000706166_100000050478 [0,2,0,0,0,0|2,0,0]=4 28835 B14R1.502 Cc1ccc(nc1)CN[C@H](C)CCO 34a_100000706166_100000691093 [0,2,0,0,0,0|2,0,0]=4 28836 B14R1.502 Cc1ccc(nc1)COC(C)CCO 34a_100012001401_100009893172 [0,2,0,0,0,0|2,0,0]=4 28837 B14R1.502 Cc1ccc(nc1)CSC(C)CCO 62a_100000691093_100009893172 [0,2,0,0,0,0|2,0,0]=4 28838 B14R1.502 Cc1ccc(nc1)CSC(C)CCO 62a_100009893172_100000691093 [0,2,0,0,0,0|2,0,0]=4 28839 B14R1.502 O=C(CCF)CCc1ccc(cc1)Br 1458a_100000217147_100011217306 [0,2,0,0,0,0|1,0,1]=4 28840 B14R1.502 O=C(CCF)CCc1ccc(cc1)Cl 1458a_100000235379_100011217306 [0,2,0,0,0,0|1,0,1]=4 28841 B14R1.502 O=C(CCF)CCc1ccc(cc1)F 1458a_100000198493_100011217306 [0,2,0,0,0,0|1,0,1]=4 28842 B14R1.502 O=C(CCF)CCc1ccc(cc1)I 1458a_100011217499_100011217306 [0,2,0,0,0,0|1,0,1]=4 28843 B14R1.502 O=C(CCF)CCc1ccc(cc1)O 1458a_100000742835_100011217306 [0,2,0,0,0,0|1,0,1]=4 28844 B14R1.502 O=C(CCO)CCc1ccc(cc1)Br 1458a_100000217147_100000211926 [0,2,0,0,0,0|0,0,1]=3 28845 B14R1.502 O=C(CCO)CCc1ccc(cc1)Br 1458a_100011216618_100011740612 [0,2,0,0,0,0|0,0,1]=3 28846 B14R1.502 O=C(CCO)CCc1ccc(cc1)Cl 1458a_100000235379_100000211926 [0,2,0,0,0,0|0,0,1]=3 28847 B14R1.502 O=C(CCO)CCc1ccc(cc1)Cl 1458a_100011216618_100011713675 [0,2,0,0,0,0|0,0,1]=3 28848 B14R1.502 O=C(CCO)CCc1ccc(cc1)F 1458a_100000198493_100000211926 [0,2,0,0,0,0|0,0,1]=3 28849 B14R1.502 O=C(CCO)CCc1ccc(cc1)F 1458a_100011216618_100011217392 [0,2,0,0,0,0|0,0,1]=3 28850 B14R1.502 O=C(CCO)CCc1ccc(cc1)I 1458a_100011217499_100000211926 [0,2,0,0,0,0|0,0,1]=3 28851 B14R1.502 O=C(CCO)CCc1ccc(cc1)O 1458a_100000742835_100000211926 [0,2,0,0,0,0|0,0,1]=3 28852 B14R1.502 O=C(CCO)CCc1ccc(cc1)O 1458a_100011216618_100009816426 [0,2,0,0,0,0|0,0,1]=3 28853 B14R1.502 O=C(CCO)COc1ccc(cc1)Br 1458a_100000182358_100000211926 [0,2,0,0,0,0|1,0,1]=4 28854 B14R1.502 O=C(CCO)COc1ccc(cc1)Cl 1458a_100016990877_100000211926 [0,2,0,0,0,0|1,0,1]=4 28855 B14R1.502 O=C(CCO)COc1ccc(cc1)F 1458a_100000184765_100000211926 [0,2,0,0,0,0|1,0,1]=4 28856 B14R1.502 O=C(CCO)COc1ccc(cc1)I 1458a_100000184369_100000211926 [0,2,0,0,0,0|1,0,1]=4 28857 B14R1.502 O=C(CCO)COc1ccc(cc1)O 1458a_100000031633_100000211926 [0,2,0,0,0,0|1,0,1]=4 28858 B14R1.502 O=C(CCO)CSc1ccc(cc1)Br 1458a_100000179496_100000211926 [0,2,0,0,0,0|1,0,1]=4 28859 B14R1.502 O=C(CCO)CSc1ccc(cc1)Cl 1458a_100000178402_100000211926 [0,2,0,0,0,0|1,0,1]=4 28860 B14R1.502 O=C(CCO)CSc1ccc(cc1)F 1458a_100000691584_100000211926 [0,2,0,0,0,0|1,0,1]=4 28861 B14R1.502 O=C(CCO)NCc1ccc(cc1)Br 240690a_100000174875_100011216618 [0,2,0,0,0,0|1,0,1]=4 28862 B14R1.502 O=C(CCO)NCc1ccc(cc1)Cl 240690a_100000174871_100011216618 [0,2,0,0,0,0|1,0,1]=4 28863 B14R1.502 O=C(CCO)NCc1ccc(cc1)F 240690a_100000174882_100011216618 [0,2,0,0,0,0|1,0,1]=4 28864 B14R1.502 O=C(CCO)NCc1ccc(cc1)I 240690a_100016989417_100011216618 [0,2,0,0,0,0|1,0,1]=4 28865 B14R1.502 O=C(CCO)NCc1ccc(cc1)O 240690a_100000185549_100011216618 [0,2,0,0,0,0|1,0,1]=4 28866 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000070787_200012094861 [0,2,0,0,0,0|0,0,2]=4 28867 B14R1.677 CC(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200000210301 [0,2,0,0,0,0|0,0,2]=4 28868 B14R1.677 CC(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200000210301 [0,2,0,0,0,0|0,0,2]=4 28869 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000070787_100012093538 [0,2,0,0,0,0|0,0,2]=4 28870 B14R1.677 CC(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200000210301 [0,2,0,0,0,0|0,0,2]=4 28871 B14R1.677 CC(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200000210301 [0,2,0,0,0,0|0,0,2]=4 28872 B14R1.677 CC(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200000210301 [0,2,0,0,0,0|0,0,2]=4 28873 B14R1.677 CC(Br)CCOCc1ccc(cc1)Br 34a_100009893172_100000189115 [0,2,0,0,0,0|2,0,0]=4 28874 B14R1.677 CC(Br)CCOCc1ccc(cc1)Cl 34a_100009893172_100000694040 [0,2,0,0,0,0|2,0,0]=4 28875 B14R1.677 CC(Br)CCOCc1ccc(cc1)F 34a_100009893172_100000198546 [0,2,0,0,0,0|2,0,0]=4 28876 B14R1.677 CC(Br)CCOCc1ccc(cc1)I 34a_100009893172_100000189116 [0,2,0,0,0,0|2,0,0]=4 28877 B14R1.677 CC(Br)COCCc1ccc(cc1)Br 34a_100012180447_100011740612 [0,2,0,0,0,0|2,0,0]=4 28878 B14R1.677 CC(Br)COCCc1ccc(cc1)Cl 34a_100012180447_100011713675 [0,2,0,0,0,0|2,0,0]=4 28879 B14R1.677 CC(Br)COCCc1ccc(cc1)F 34a_100012180447_100011217392 [0,2,0,0,0,0|2,0,0]=4 28880 B14R1.677 CC(C)CCCNc1ccc(cc1)Br 2230a_100000210018_100011214892 [0,2,0,0,0,0|2,0,0]=4 28881 B14R1.677 CC(C)CCCNc1ccc(cc1)Br 34a_100000210018_100011214892 [0,2,0,0,0,0|2,0,0]=4 28882 B14R1.677 CC(C)CCCNc1ccc(cc1)Cl 2230a_100000210052_100011214892 [0,2,0,0,0,0|2,0,0]=4 28883 B14R1.677 CC(C)CCCNc1ccc(cc1)Cl 34a_100000210052_100011214892 [0,2,0,0,0,0|2,0,0]=4 28884 B14R1.677 CC(C)CCCNc1ccc(cc1)F 34a_100000185862_100011214892 [0,2,0,0,0,0|2,0,0]=4 28885 B14R1.677 CC(C)CCCNc1ccc(cc1)I 34a_100000185761_100011214892 [0,2,0,0,0,0|2,0,0]=4 28886 B14R1.677 CC(C)CCCNc1ccc(cc1)O 34a_100000185829_100011214892 [0,2,0,0,0,0|2,0,0]=4 28887 B14R1.677 CC(C)CCCOc1ccc(cc1)Br 34a_100000185759_100011214892 [0,2,0,0,0,0|2,0,0]=4 28888 B14R1.677 CC(C)CCCOc1ccc(cc1)Br 7a_100000185759_100011214892 [0,2,0,0,0,0|2,0,0]=4 28889 B14R1.677 CC(C)CCCOc1ccc(cc1)Cl 34a_100000210216_100011214892 [0,2,0,0,0,0|2,0,0]=4 28890 B14R1.677 CC(C)CCCOc1ccc(cc1)Cl 7a_100000210216_100011214892 [0,2,0,0,0,0|2,0,0]=4 28891 B14R1.677 CC(C)CCCOc1ccc(cc1)F 34a_100000210339_100011214892 [0,2,0,0,0,0|2,0,0]=4 28892 B14R1.677 CC(C)CCCOc1ccc(cc1)I 34a_100000212066_100011214892 [0,2,0,0,0,0|2,0,0]=4 28893 B14R1.677 CC(C)CCCOc1ccc(cc1)I 7a_100000212066_100011214892 [0,2,0,0,0,0|2,0,0]=4 28894 B14R1.677 CC(C)CCCOc1ccc(cc1)N 34a_100000185829_100011214892 [0,2,0,0,0,0|2,0,0]=4 28895 B14R1.677 CC(C)CCCSc1ccc(cc1)Br 62a_100000752885_100011214892 [0,2,0,0,0,0|2,0,0]=4 28896 B14R1.677 CC(C)CCCSc1ccc(cc1)Br 62a_100011214892_100000752885 [0,2,0,0,0,0|2,0,0]=4 28897 B14R1.677 CC(C)CCCSc1ccc(cc1)Cl 62a_100000755918_100011214892 [0,2,0,0,0,0|2,0,0]=4 28898 B14R1.677 CC(C)CCCSc1ccc(cc1)Cl 62a_100011214892_100000755918 [0,2,0,0,0,0|2,0,0]=4 28899 B14R1.677 CC(C)CCCSc1ccc(cc1)F 62a_100000211213_100011214892 [0,2,0,0,0,0|2,0,0]=4 28900 B14R1.677 CC(C)CCCSc1ccc(cc1)F 62a_100011214892_100000211213 [0,2,0,0,0,0|2,0,0]=4 28901 B14R1.677 CC(C)CCCSc1ccc(cc1)N 62a_100000185761_100011214892 [0,2,0,0,0,0|2,0,0]=4 28902 B14R1.677 CC(C)CCCSc1ccc(cc1)N 62a_100011214892_100000185761 [0,2,0,0,0,0|2,0,0]=4 28903 B14R1.677 CC(C)CCCSc1ccc(cc1)O 62a_100011214892_100000185759 [0,2,0,0,0,0|2,0,0]=4 28904 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 207a_100000210545_100000186029 [0,2,0,0,0,0|2,0,0]=4 28905 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 2230a_100000174875_100000210312 [0,2,0,0,0,0|2,0,0]=4 28906 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 269862a_100000174875_100000185833 [0,2,0,0,0,0|2,0,0]=4 28907 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 26a_100000210545_100000185759 [0,2,0,0,0,0|2,0,0]=4 28908 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 270004a_100000210545_100000186029 [0,2,0,0,0,0|2,0,0]=4 28909 B14R1.677 CC(C)CCNCc1ccc(cc1)Br 34a_100000174875_100000210312 [0,2,0,0,0,0|2,0,0]=4 28910 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 207a_100000210545_100000189385 [0,2,0,0,0,0|2,0,0]=4 28911 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210312 [0,2,0,0,0,0|2,0,0]=4 28912 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 269862a_100000174871_100000185833 [0,2,0,0,0,0|2,0,0]=4 28913 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 270004a_100000210545_100000189385 [0,2,0,0,0,0|2,0,0]=4 28914 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl 34a_100000174871_100000210312 [0,2,0,0,0,0|2,0,0]=4 28915 B14R1.677 CC(C)CCNCc1ccc(cc1)F 207a_100000210545_100000210084 [0,2,0,0,0,0|2,0,0]=4 28916 B14R1.677 CC(C)CCNCc1ccc(cc1)F 2230a_100000174882_100000210312 [0,2,0,0,0,0|2,0,0]=4 28917 B14R1.677 CC(C)CCNCc1ccc(cc1)F 269862a_100000174882_100000185833 [0,2,0,0,0,0|2,0,0]=4 28918 B14R1.677 CC(C)CCNCc1ccc(cc1)F 270004a_100000210545_100000210084 [0,2,0,0,0,0|2,0,0]=4 28919 B14R1.677 CC(C)CCNCc1ccc(cc1)F 34a_100000174882_100000210312 [0,2,0,0,0,0|2,0,0]=4 28920 B14R1.677 CC(C)CCNCc1ccc(cc1)I 207a_100000210545_100000188517 [0,2,0,0,0,0|2,0,0]=4 28921 B14R1.677 CC(C)CCNCc1ccc(cc1)I 2230a_100016989417_100000210312 [0,2,0,0,0,0|2,0,0]=4 28922 B14R1.677 CC(C)CCNCc1ccc(cc1)I 269862a_100016989417_100000185833 [0,2,0,0,0,0|2,0,0]=4 28923 B14R1.677 CC(C)CCNCc1ccc(cc1)I 34a_100016989417_100000210312 [0,2,0,0,0,0|2,0,0]=4 28924 B14R1.677 CC(C)CCNCc1ccc(cc1)O 34a_100000185549_100000210312 [0,2,0,0,0,0|2,0,0]=4 28925 B14R1.677 CC(C)CCOCc1ccc(cc1)Br 34a_100000210254_100000189115 [0,2,0,0,0,0|2,0,0]=4 28926 B14R1.677 CC(C)CCOCc1ccc(cc1)Br 34a_100000695286_100000210312 [0,2,0,0,0,0|2,0,0]=4 28927 B14R1.677 CC(C)CCOCc1ccc(cc1)Br 7a_100000210254_100011217064 [0,2,0,0,0,0|2,0,0]=4 28928 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 34a_100000210254_100000694040 [0,2,0,0,0,0|2,0,0]=4 28929 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 34a_100000211118_100000210312 [0,2,0,0,0,0|2,0,0]=4 28930 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 7a_100000210254_100000187161 [0,2,0,0,0,0|2,0,0]=4 28931 B14R1.677 CC(C)CCOCc1ccc(cc1)Cl 7a_100000211118_100000210626 [0,2,0,0,0,0|2,0,0]=4 28932 B14R1.677 CC(C)CCOCc1ccc(cc1)F 34a_100000210254_100000198546 [0,2,0,0,0,0|2,0,0]=4 28933 B14R1.677 CC(C)CCOCc1ccc(cc1)F 34a_100000210977_100000210312 [0,2,0,0,0,0|2,0,0]=4 28934 B14R1.677 CC(C)CCOCc1ccc(cc1)F 7a_100000210254_100000198546 [0,2,0,0,0,0|2,0,0]=4 28935 B14R1.677 CC(C)CCOCc1ccc(cc1)F 7a_100000210977_100000210626 [0,2,0,0,0,0|2,0,0]=4 28936 B14R1.677 CC(C)CCOCc1ccc(cc1)I 34a_100000210254_100000189116 [0,2,0,0,0,0|2,0,0]=4 28937 B14R1.677 CC(C)CCOCc1ccc(cc1)I 34a_100000690907_100000210312 [0,2,0,0,0,0|2,0,0]=4 28938 B14R1.677 CC(C)CCOCc1ccc(cc1)I 7a_100000210254_100000189116 [0,2,0,0,0,0|2,0,0]=4 28939 B14R1.677 CC(C)CCOCc1ccc(cc1)I 7a_100000690907_100000210626 [0,2,0,0,0,0|2,0,0]=4 28940 B14R1.677 CC(C)CCOCc1ccc(cc1)N 34a_100011215238_100000210312 [0,2,0,0,0,0|2,0,0]=4 28941 B14R1.677 CC(C)CCSCc1ccc(cc1)Br 62a_100000189115_100000210312 [0,2,0,0,0,0|2,0,0]=4 28942 B14R1.677 CC(C)CCSCc1ccc(cc1)Br 62a_100000210312_100000189115 [0,2,0,0,0,0|2,0,0]=4 28943 B14R1.677 CC(C)CCSCc1ccc(cc1)Cl 62a_100000187161_100000210312 [0,2,0,0,0,0|2,0,0]=4 28944 B14R1.677 CC(C)CCSCc1ccc(cc1)Cl 62a_100000210312_100000187161 [0,2,0,0,0,0|2,0,0]=4 28945 B14R1.677 CC(C)CCSCc1ccc(cc1)F 62a_100000198546_100000210312 [0,2,0,0,0,0|2,0,0]=4 28946 B14R1.677 CC(C)CCSCc1ccc(cc1)F 62a_100000210312_100000187164 [0,2,0,0,0,0|2,0,0]=4 28947 B14R1.677 CC(C)CCSCc1ccc(cc1)I 62a_100000189116_100000210312 [0,2,0,0,0,0|2,0,0]=4 28948 B14R1.677 CC(C)CCSCc1ccc(cc1)I 62a_100000210312_100000189116 [0,2,0,0,0,0|2,0,0]=4 28949 B14R1.677 CC(C)CNCCc1ccc(cc1)Br 2230a_100000210953_100011740612 [0,2,0,0,0,0|2,0,0]=4 28950 B14R1.677 CC(C)CNCCc1ccc(cc1)Br 2230a_100000755846_100000210760 [0,2,0,0,0,0|2,0,0]=4 28951 B14R1.677 CC(C)CNCCc1ccc(cc1)Br 270004a_100000755846_100000210432 [0,2,0,0,0,0|2,0,0]=4 28952 B14R1.677 CC(C)CNCCc1ccc(cc1)Br 34a_100000210953_100011740612 [0,2,0,0,0,0|2,0,0]=4 28953 B14R1.677 CC(C)CNCCc1ccc(cc1)Br 34a_100000755846_100000210624 [0,2,0,0,0,0|2,0,0]=4 28954 B14R1.677 CC(C)CNCCc1ccc(cc1)Cl 2230a_100000185265_100000210760 [0,2,0,0,0,0|2,0,0]=4 28955 B14R1.677 CC(C)CNCCc1ccc(cc1)Cl 2230a_100000210953_100011713675 [0,2,0,0,0,0|2,0,0]=4 28956 B14R1.677 CC(C)CNCCc1ccc(cc1)Cl 270004a_100000185265_100000210432 [0,2,0,0,0,0|2,0,0]=4 28957 B14R1.677 CC(C)CNCCc1ccc(cc1)Cl 34a_100000185265_100000210624 [0,2,0,0,0,0|2,0,0]=4 28958 B14R1.677 CC(C)CNCCc1ccc(cc1)Cl 34a_100000210953_100011713675 [0,2,0,0,0,0|2,0,0]=4 28959 B14R1.677 CC(C)CNCCc1ccc(cc1)F 2230a_100000199005_100000210760 [0,2,0,0,0,0|2,0,0]=4 28960 B14R1.677 CC(C)CNCCc1ccc(cc1)F 2230a_100000210953_100011217392 [0,2,0,0,0,0|2,0,0]=4 28961 B14R1.677 CC(C)CNCCc1ccc(cc1)F 270004a_100000199005_100000210432 [0,2,0,0,0,0|2,0,0]=4 28962 B14R1.677 CC(C)CNCCc1ccc(cc1)F 34a_100000199005_100000210624 [0,2,0,0,0,0|2,0,0]=4 28963 B14R1.677 CC(C)CNCCc1ccc(cc1)F 34a_100000210953_100011217392 [0,2,0,0,0,0|2,0,0]=4 28964 B14R1.677 CC(C)CNCCc1ccc(cc1)O 2230a_100000210953_100009816426 [0,2,0,0,0,0|2,0,0]=4 28965 B14R1.677 CC(C)CNCCc1ccc(cc1)O 270004a_100000743037_100000210432 [0,2,0,0,0,0|2,0,0]=4 28966 B14R1.677 CC(C)CNCCc1ccc(cc1)O 34a_100000743037_100000210624 [0,2,0,0,0,0|2,0,0]=4 28967 B14R1.677 CC(C)COCCc1ccc(cc1)Br 34a_100000210257_100011740612 [0,2,0,0,0,0|2,0,0]=4 28968 B14R1.677 CC(C)COCCc1ccc(cc1)Br 34a_100000766406_100000210624 [0,2,0,0,0,0|2,0,0]=4 28969 B14R1.677 CC(C)COCCc1ccc(cc1)Br 7a_100000766406_100000210760 [0,2,0,0,0,0|2,0,0]=4 28970 B14R1.677 CC(C)COCCc1ccc(cc1)Cl 34a_100000210257_100011713675 [0,2,0,0,0,0|2,0,0]=4 28971 B14R1.677 CC(C)COCCc1ccc(cc1)Cl 34a_100011219627_100000210624 [0,2,0,0,0,0|2,0,0]=4 28972 B14R1.677 CC(C)COCCc1ccc(cc1)Cl 7a_100011219627_100000210760 [0,2,0,0,0,0|2,0,0]=4 28973 B14R1.677 CC(C)COCCc1ccc(cc1)F 34a_100000210257_100011217392 [0,2,0,0,0,0|2,0,0]=4 28974 B14R1.677 CC(C)COCCc1ccc(cc1)F 34a_100000754732_100000210624 [0,2,0,0,0,0|2,0,0]=4 28975 B14R1.677 CC(C)COCCc1ccc(cc1)F 7a_100000754732_100000210760 [0,2,0,0,0,0|2,0,0]=4 28976 B14R1.677 CC(C)COCCc1ccc(cc1)I 34a_100012291149_100000210624 [0,2,0,0,0,0|2,0,0]=4 28977 B14R1.677 CC(C)COCCc1ccc(cc1)I 7a_100012291149_100000210760 [0,2,0,0,0,0|2,0,0]=4 28978 B14R1.677 CC(C)COCCc1ccc(cc1)N 34a_100011204434_100000210624 [0,2,0,0,0,0|2,0,0]=4 28979 B14R1.677 CC(C)CSCCc1ccc(cc1)Br 62a_100000210624_100011740612 [0,2,0,0,0,0|2,0,0]=4 28980 B14R1.677 CC(C)CSCCc1ccc(cc1)Br 62a_100011740612_100000210760 [0,2,0,0,0,0|2,0,0]=4 28981 B14R1.677 CC(C)CSCCc1ccc(cc1)Cl 62a_100000210624_100011713675 [0,2,0,0,0,0|2,0,0]=4 28982 B14R1.677 CC(C)CSCCc1ccc(cc1)Cl 62a_100011713675_100000210760 [0,2,0,0,0,0|2,0,0]=4 28983 B14R1.677 CC(C)CSCCc1ccc(cc1)F 62a_100000210624_100011217392 [0,2,0,0,0,0|2,0,0]=4 28984 B14R1.677 CC(C)CSCCc1ccc(cc1)F 62a_100011217392_100000210760 [0,2,0,0,0,0|2,0,0]=4 28985 B14R1.677 CC(C)CSCCc1ccc(cc1)O 62a_100000210624_100009816426 [0,2,0,0,0,0|2,0,0]=4 28986 B14R1.677 CC(C)CSCCc1ccc(cc1)O 62a_100009816426_100000210760 [0,2,0,0,0,0|2,0,0]=4 28987 B14R1.677 CC(C)NCCCc1ccc(cc1)Br 2230a_100011297623_100000210206 [0,2,0,0,0,0|2,0,0]=4 28988 B14R1.677 CC(C)NCCCc1ccc(cc1)Br 2230a_100138425928_100011713682 [0,2,0,0,0,0|2,0,0]=4 28989 B14R1.677 CC(C)NCCCc1ccc(cc1)Br 34a_100011297623_100000210206 [0,2,0,0,0,0|2,0,0]=4 28990 B14R1.677 CC(C)NCCCc1ccc(cc1)Br 34a_100138425928_100011713682 [0,2,0,0,0,0|2,0,0]=4 28991 B14R1.677 CC(C)NCCCc1ccc(cc1)Cl 2230a_100000748451_100000210206 [0,2,0,0,0,0|2,0,0]=4 28992 B14R1.677 CC(C)NCCCc1ccc(cc1)Cl 2230a_100138425928_100000759440 [0,2,0,0,0,0|2,0,0]=4 28993 B14R1.677 CC(C)NCCCc1ccc(cc1)Cl 34a_100000748451_100000210206 [0,2,0,0,0,0|2,0,0]=4 28994 B14R1.677 CC(C)NCCCc1ccc(cc1)Cl 34a_100138425928_100000759440 [0,2,0,0,0,0|2,0,0]=4 28995 B14R1.677 CC(C)NCCCc1ccc(cc1)F 2230a_100025745824_100000210206 [0,2,0,0,0,0|2,0,0]=4 28996 B14R1.677 CC(C)NCCCc1ccc(cc1)F 2230a_100138425928_200011713563 [0,2,0,0,0,0|2,0,0]=4 28997 B14R1.677 CC(C)NCCCc1ccc(cc1)F 34a_100025745824_100000210206 [0,2,0,0,0,0|2,0,0]=4 28998 B14R1.677 CC(C)NCCCc1ccc(cc1)F 34a_100138425928_200011713563 [0,2,0,0,0,0|2,0,0]=4 28999 B14R1.677 CC(C)OCCCc1ccc(cc1)Br 34a_100000212225_100011713682 [0,2,0,0,0,0|2,0,0]=4 29000 B14R1.677 CC(C)OCCCc1ccc(cc1)Br 34a_100011709247_100000210206 [0,2,0,0,0,0|2,0,0]=4 29001 B14R1.677 CC(C)OCCCc1ccc(cc1)Br 7a_100011709247_100000210206 [0,2,0,0,0,0|2,0,0]=4 29002 B14R1.677 CC(C)OCCCc1ccc(cc1)Cl 34a_100000212225_100000759440 [0,2,0,0,0,0|2,0,0]=4 29003 B14R1.677 CC(C)OCCCc1ccc(cc1)Cl 34a_100011217485_100000210206 [0,2,0,0,0,0|2,0,0]=4 29004 B14R1.677 CC(C)OCCCc1ccc(cc1)Cl 7a_100011217485_100000210206 [0,2,0,0,0,0|2,0,0]=4 29005 B14R1.677 CC(C)OCCCc1ccc(cc1)F 34a_100000212225_200011713563 [0,2,0,0,0,0|2,0,0]=4 29006 B14R1.677 CC(C)OCCCc1ccc(cc1)F 34a_100000757351_100000210206 [0,2,0,0,0,0|2,0,0]=4 29007 B14R1.677 CC(C)OCCCc1ccc(cc1)F 7a_100000757351_100000210206 [0,2,0,0,0,0|2,0,0]=4 29008 B14R1.677 CC(C)SCCCc1ccc(cc1)Br 62a_100000210206_100011713682 [0,2,0,0,0,0|2,0,0]=4 29009 B14R1.677 CC(C)SCCCc1ccc(cc1)Br 62a_100011713682_100000210206 [0,2,0,0,0,0|2,0,0]=4 29010 B14R1.677 CC(C)SCCCc1ccc(cc1)Cl 62a_100000210206_100000759440 [0,2,0,0,0,0|2,0,0]=4 29011 B14R1.677 CC(C)SCCCc1ccc(cc1)Cl 62a_100000759440_100000210206 [0,2,0,0,0,0|2,0,0]=4 29012 B14R1.677 CC(C)SCCCc1ccc(cc1)F 62a_100000210206_200011713563 [0,2,0,0,0,0|2,0,0]=4 29013 B14R1.677 CC(C)SCCCc1ccc(cc1)F 62a_200011713563_100000210206 [0,2,0,0,0,0|2,0,0]=4 29014 B14R1.677 CC(F)COCCc1ccc(cc1)Br 34a_100015925927_100011740612 [0,2,0,0,0,0|2,0,0]=4 29015 B14R1.677 CC(F)COCCc1ccc(cc1)Cl 34a_100015925927_100011713675 [0,2,0,0,0,0|2,0,0]=4 29016 B14R1.677 CC(F)COCCc1ccc(cc1)F 34a_100015925927_100011217392 [0,2,0,0,0,0|2,0,0]=4 29017 B14R1.677 CC(O)CCCNc1ccc(cc1)Br 2230a_100000210018_200000718107 [0,2,0,0,0,0|1,0,0]=3 29018 B14R1.677 CC(O)CCCNc1ccc(cc1)Br 34a_100000210018_200000718107 [0,2,0,0,0,0|1,0,0]=3 29019 B14R1.677 CC(O)CCCNc1ccc(cc1)Cl 2230a_100000210052_200000718107 [0,2,0,0,0,0|1,0,0]=3 29020 B14R1.677 CC(O)CCCNc1ccc(cc1)Cl 34a_100000210052_200000718107 [0,2,0,0,0,0|1,0,0]=3 29021 B14R1.677 CC(O)CCCNc1ccc(cc1)F 34a_100000185862_200000718107 [0,2,0,0,0,0|1,0,0]=3 29022 B14R1.677 CC(O)CCCNc1ccc(cc1)I 34a_100000185761_200000718107 [0,2,0,0,0,0|1,0,0]=3 29023 B14R1.677 CC(O)CCCNc1ccc(cc1)O 34a_100000185829_200000718107 [0,2,0,0,0,0|1,0,0]=3 29024 B14R1.677 CC(O)CCCOc1ccc(=O)[nH]c1 34a_100000075641_200000718107 [0,2,0,0,0,0|2,0,0]=4 29025 B14R1.677 CC(O)CCCOc1ccc(cc1)Br 34a_100000185759_200000718107 [0,2,0,0,0,0|1,0,0]=3 29026 B14R1.677 CC(O)CCCOc1ccc(cc1)Br 7a_100000185759_200000718107 [0,2,0,0,0,0|1,0,0]=3 29027 B14R1.677 CC(O)CCCOc1ccc(cc1)Cl 34a_100000210216_200000718107 [0,2,0,0,0,0|1,0,0]=3 29028 B14R1.677 CC(O)CCCOc1ccc(cc1)Cl 7a_100000210216_200000718107 [0,2,0,0,0,0|1,0,0]=3 29029 B14R1.677 CC(O)CCCOc1ccc(cc1)F 34a_100000210339_200000718107 [0,2,0,0,0,0|1,0,0]=3 29030 B14R1.677 CC(O)CCCOc1ccc(cc1)I 34a_100000212066_200000718107 [0,2,0,0,0,0|1,0,0]=3 29031 B14R1.677 CC(O)CCCOc1ccc(cc1)I 7a_100000212066_200000718107 [0,2,0,0,0,0|1,0,0]=3 29032 B14R1.677 CC(O)CCCOc1ccc(cc1)N 34a_100000185829_200000718107 [0,2,0,0,0,0|1,0,0]=3 29033 B14R1.677 CC(O)CCCOc1ccc(cn1)Cl 34a_100011215309_200000718107 [0,2,0,0,0,0|2,0,0]=4 29034 B14R1.677 CC(O)CCCOc1ccc(cn1)F 34a_100000742473_200000718107 [0,2,0,0,0,0|2,0,0]=4 29035 B14R1.677 CC(O)CCCOc1ccc(cn1)N 34a_100000729260_200000718107 [0,2,0,0,0,0|2,0,0]=4 29036 B14R1.677 CC(O)CCCOc1ccc(nc1)Br 34a_100000685995_200000718107 [0,2,0,0,0,0|2,0,0]=4 29037 B14R1.677 CC(O)CCCOc1ccc(nc1)Br 7a_100000685995_200000718107 [0,2,0,0,0,0|2,0,0]=4 29038 B14R1.677 CC(O)CCCOc1ccc(nc1)Cl 34a_100000744096_200000718107 [0,2,0,0,0,0|2,0,0]=4 29039 B14R1.677 CC(O)CCCOc1ccc(nc1)Cl 7a_100000744096_200000718107 [0,2,0,0,0,0|2,0,0]=4 29040 B14R1.677 CC(O)CCCOc1ccc(nc1)F 34a_100000688820_200000718107 [0,2,0,0,0,0|2,0,0]=4 29041 B14R1.677 CC(O)CCCOc1ccc(nc1)F 7a_100000688820_200000718107 [0,2,0,0,0,0|2,0,0]=4 29042 B14R1.677 CC(O)CCCOc1ccc(nc1)I 34a_100000687607_200000718107 [0,2,0,0,0,0|2,0,0]=4 29043 B14R1.677 CC(O)CCCOc1ccc(nc1)I 7a_100000687607_200000718107 [0,2,0,0,0,0|2,0,0]=4 29044 B14R1.677 CC(O)CCCOc1ccc(nc1)N 34a_100015188713_200000718107 [0,2,0,0,0,0|2,0,0]=4 29045 B14R1.677 CC(O)CCCOc1ccc(nc1)N 7a_100015188713_200000718107 [0,2,0,0,0,0|2,0,0]=4 29046 B14R1.677 CC(O)CCCSc1cc[n+](cc1)[O-] 62a_200000718107_100000039755 [0,2,0,0,0,0|2,0,0]=4 29047 B14R1.677 CC(O)CCCSc1ccc(=O)[nH]c1 62a_100000212171_200000718107 [0,2,0,0,0,0|2,0,0]=4 29048 B14R1.677 CC(O)CCCSc1ccc(=O)[nH]c1 62a_200000718107_100000212171 [0,2,0,0,0,0|2,0,0]=4 29049 B14R1.677 CC(O)CCCSc1ccc(cc1)Br 62a_100000752885_200000718107 [0,2,0,0,0,0|1,0,0]=3 29050 B14R1.677 CC(O)CCCSc1ccc(cc1)Br 62a_200000718107_100000752885 [0,2,0,0,0,0|1,0,0]=3 29051 B14R1.677 CC(O)CCCSc1ccc(cc1)Cl 62a_100000755918_200000718107 [0,2,0,0,0,0|1,0,0]=3 29052 B14R1.677 CC(O)CCCSc1ccc(cc1)Cl 62a_200000718107_100000755918 [0,2,0,0,0,0|1,0,0]=3 29053 B14R1.677 CC(O)CCCSc1ccc(cc1)F 62a_100000211213_200000718107 [0,2,0,0,0,0|1,0,0]=3 29054 B14R1.677 CC(O)CCCSc1ccc(cc1)F 62a_200000718107_100000211213 [0,2,0,0,0,0|1,0,0]=3 29055 B14R1.677 CC(O)CCCSc1ccc(cc1)N 62a_100000185761_200000718107 [0,2,0,0,0,0|1,0,0]=3 29056 B14R1.677 CC(O)CCCSc1ccc(cc1)N 62a_200000718107_100000185761 [0,2,0,0,0,0|1,0,0]=3 29057 B14R1.677 CC(O)CCCSc1ccc(cc1)O 62a_200000718107_100000185759 [0,2,0,0,0,0|1,0,0]=3 29058 B14R1.677 CC(O)CCCSc1ccc(cn1)Br 62a_100000686858_200000718107 [0,2,0,0,0,0|2,0,0]=4 29059 B14R1.677 CC(O)CCCSc1ccc(cn1)Br 62a_200000718107_100000686858 [0,2,0,0,0,0|2,0,0]=4 29060 B14R1.677 CC(O)CCCSc1ccc(cn1)Cl 62a_100011356976_200000718107 [0,2,0,0,0,0|2,0,0]=4 29061 B14R1.677 CC(O)CCCSc1ccc(cn1)Cl 62a_200000718107_100011356976 [0,2,0,0,0,0|2,0,0]=4 29062 B14R1.677 CC(O)CCCSc1ccc(cn1)F 62a_100000744514_200000718107 [0,2,0,0,0,0|2,0,0]=4 29063 B14R1.677 CC(O)CCCSc1ccc(cn1)F 62a_200000718107_100000744514 [0,2,0,0,0,0|2,0,0]=4 29064 B14R1.677 CC(O)CCCSc1ccc(cn1)N 62a_100000737798_200000718107 [0,2,0,0,0,0|2,0,0]=4 29065 B14R1.677 CC(O)CCCSc1ccc(cn1)N 62a_200000718107_100000737798 [0,2,0,0,0,0|2,0,0]=4 29066 B14R1.677 CC(O)CCCSc1ccc(cn1)O 62a_100000685995_200000718107 [0,2,0,0,0,0|2,0,0]=4 29067 B14R1.677 CC(O)CCCSc1ccc(cn1)O 62a_200000718107_100000744096 [0,2,0,0,0,0|2,0,0]=4 29068 B14R1.677 CC(O)CCCSc1ccc(nc1)Br 62a_100009814638_200000718107 [0,2,0,0,0,0|2,0,0]=4 29069 B14R1.677 CC(O)CCCSc1ccc(nc1)Br 62a_200000718107_100009814638 [0,2,0,0,0,0|2,0,0]=4 29070 B14R1.677 CC(O)CCCSc1ccc(nc1)Cl 62a_100000034144_200000718107 [0,2,0,0,0,0|2,0,0]=4 29071 B14R1.677 CC(O)CCCSc1ccc(nc1)Cl 62a_200000718107_100000034144 [0,2,0,0,0,0|2,0,0]=4 29072 B14R1.677 CC(O)CCCSc1ccc(nc1)F 62a_100000042367_200000718107 [0,2,0,0,0,0|2,0,0]=4 29073 B14R1.677 CC(O)CCCSc1ccc(nc1)F 62a_200000718107_100000042367 [0,2,0,0,0,0|2,0,0]=4 29074 B14R1.677 CC(O)CCCSc1ccc(nc1)N 62a_100000187370_200000718107 [0,2,0,0,0,0|2,0,0]=4 29075 B14R1.677 CC(O)CCCSc1ccc(nc1)N 62a_200000718107_100000187370 [0,2,0,0,0,0|2,0,0]=4 29076 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 207a_200000755665_100000186029 [0,2,0,0,0,0|1,0,0]=3 29077 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 2230a_100000174875_100012276601 [0,2,0,0,0,0|1,0,0]=3 29078 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 2230a_200000755665_100011217064 [0,2,0,0,0,0|1,0,0]=3 29079 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 270004a_200000755665_100000186029 [0,2,0,0,0,0|1,0,0]=3 29080 B14R1.677 CC(O)CCNCc1ccc(cc1)Br 34a_100000174875_100012276601 [0,2,0,0,0,0|1,0,0]=3 29081 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 207a_200000755665_100000189385 [0,2,0,0,0,0|1,0,0]=3 29082 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 2230a_100000174871_100012276601 [0,2,0,0,0,0|1,0,0]=3 29083 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 2230a_200000755665_100000694040 [0,2,0,0,0,0|1,0,0]=3 29084 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 270004a_200000755665_100000189385 [0,2,0,0,0,0|1,0,0]=3 29085 B14R1.677 CC(O)CCNCc1ccc(cc1)Cl 34a_100000174871_100012276601 [0,2,0,0,0,0|1,0,0]=3 29086 B14R1.677 CC(O)CCNCc1ccc(cc1)F 207a_200000755665_100000210084 [0,2,0,0,0,0|1,0,0]=3 29087 B14R1.677 CC(O)CCNCc1ccc(cc1)F 2230a_100000174882_100012276601 [0,2,0,0,0,0|1,0,0]=3 29088 B14R1.677 CC(O)CCNCc1ccc(cc1)F 2230a_200000755665_100000198546 [0,2,0,0,0,0|1,0,0]=3 29089 B14R1.677 CC(O)CCNCc1ccc(cc1)F 270004a_200000755665_100000210084 [0,2,0,0,0,0|1,0,0]=3 29090 B14R1.677 CC(O)CCNCc1ccc(cc1)F 34a_100000174882_100012276601 [0,2,0,0,0,0|1,0,0]=3 29091 B14R1.677 CC(O)CCNCc1ccc(cc1)I 207a_200000755665_100000188517 [0,2,0,0,0,0|1,0,0]=3 29092 B14R1.677 CC(O)CCNCc1ccc(cc1)I 2230a_100016989417_100012276601 [0,2,0,0,0,0|1,0,0]=3 29093 B14R1.677 CC(O)CCNCc1ccc(cc1)I 2230a_200000755665_100000189116 [0,2,0,0,0,0|1,0,0]=3 29094 B14R1.677 CC(O)CCNCc1ccc(cc1)I 34a_100016989417_100012276601 [0,2,0,0,0,0|1,0,0]=3 29095 B14R1.677 CC(O)CCNCc1ccc(cc1)O 34a_100000185549_100012276601 [0,2,0,0,0,0|1,0,0]=3 29096 B14R1.677 CC(O)CCNCc1ccc(cn1)Br 207a_200000755665_100000754260 [0,2,0,0,0,0|2,0,0]=4 29097 B14R1.677 CC(O)CCNCc1ccc(cn1)Br 2230a_200000755665_100000702658 [0,2,0,0,0,0|2,0,0]=4 29098 B14R1.677 CC(O)CCNCc1ccc(cn1)Br 270004a_200000755665_100000754260 [0,2,0,0,0,0|2,0,0]=4 29099 B14R1.677 CC(O)CCNCc1ccc(cn1)Br 34a_100015188789_100012276601 [0,2,0,0,0,0|2,0,0]=4 29100 B14R1.677 CC(O)CCNCc1ccc(cn1)Cl 207a_200000755665_100011361569 [0,2,0,0,0,0|2,0,0]=4 29101 B14R1.677 CC(O)CCNCc1ccc(cn1)Cl 2230a_200000755665_100012066911 [0,2,0,0,0,0|2,0,0]=4 29102 B14R1.677 CC(O)CCNCc1ccc(cn1)Cl 270004a_200000755665_100011361569 [0,2,0,0,0,0|2,0,0]=4 29103 B14R1.677 CC(O)CCNCc1ccc(cn1)Cl 34a_100000697193_100012276601 [0,2,0,0,0,0|2,0,0]=4 29104 B14R1.677 CC(O)CCNCc1ccc(cn1)F 207a_200000755665_100011934744 [0,2,0,0,0,0|2,0,0]=4 29105 B14R1.677 CC(O)CCNCc1ccc(cn1)F 2230a_200000755665_100000703193 [0,2,0,0,0,0|2,0,0]=4 29106 B14R1.677 CC(O)CCNCc1ccc(cn1)F 270004a_200000755665_100011934744 [0,2,0,0,0,0|2,0,0]=4 29107 B14R1.677 CC(O)CCNCc1ccc(cn1)F 34a_100020620131_100012276601 [0,2,0,0,0,0|2,0,0]=4 29108 B14R1.677 CC(O)CCNCc1ccc(nc1)Br 2230a_100009817727_100012276601 [0,2,0,0,0,0|2,0,0]=4 29109 B14R1.677 CC(O)CCNCc1ccc(nc1)Br 2230a_200000755665_100009831999 [0,2,0,0,0,0|2,0,0]=4 29110 B14R1.677 CC(O)CCNCc1ccc(nc1)Br 34a_100009817727_100012276601 [0,2,0,0,0,0|2,0,0]=4 29111 B14R1.677 CC(O)CCNCc1ccc(nc1)Cl 2230a_100000735879_100012276601 [0,2,0,0,0,0|2,0,0]=4 29112 B14R1.677 CC(O)CCNCc1ccc(nc1)Cl 2230a_200000755665_100000735431 [0,2,0,0,0,0|2,0,0]=4 29113 B14R1.677 CC(O)CCNCc1ccc(nc1)Cl 34a_100000735879_100012276601 [0,2,0,0,0,0|2,0,0]=4 29114 B14R1.677 CC(O)CCNCc1ccc(nc1)F 2230a_100000101913_100012276601 [0,2,0,0,0,0|2,0,0]=4 29115 B14R1.677 CC(O)CCNCc1ccc(nc1)F 2230a_200000755665_100009820150 [0,2,0,0,0,0|2,0,0]=4 29116 B14R1.677 CC(O)CCNCc1ccc(nc1)F 34a_100000101913_100012276601 [0,2,0,0,0,0|2,0,0]=4 29117 B14R1.677 CC(O)CCNCc1ccc(nc1)O 207a_200000755665_100011361521 [0,2,0,0,0,0|2,0,0]=4 29118 B14R1.677 CC(O)CCNCc1ccc(nc1)O 2230a_100000757128_100012276601 [0,2,0,0,0,0|2,0,0]=4 29119 B14R1.677 CC(O)CCOCc1cc[n+](cc1)C 34a_100009831711_100012276601 [0,2,0,0,0,0|2,0,0]=4 29120 B14R1.677 CC(O)CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100012276601 [0,2,0,0,0,0|2,0,0]=4 29121 B14R1.677 CC(O)CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100012276601 [0,2,0,0,0,0|2,0,0]=4 29122 B14R1.677 CC(O)CCOCc1ccc(=O)[nH]c1 34a_100011999846_100012276601 [0,2,0,0,0,0|2,0,0]=4 29123 B14R1.677 CC(O)CCOCc1ccc(cc1)Br 34a_100000695286_100012276601 [0,2,0,0,0,0|1,0,0]=3 29124 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 34a_100000211118_100012276601 [0,2,0,0,0,0|1,0,0]=3 29125 B14R1.677 CC(O)CCOCc1ccc(cc1)Cl 7a_100000211118_100012276601 [0,2,0,0,0,0|1,0,0]=3 29126 B14R1.677 CC(O)CCOCc1ccc(cc1)F 34a_100000210977_100012276601 [0,2,0,0,0,0|1,0,0]=3 29127 B14R1.677 CC(O)CCOCc1ccc(cc1)F 7a_100000210977_100012276601 [0,2,0,0,0,0|1,0,0]=3 29128 B14R1.677 CC(O)CCOCc1ccc(cc1)I 34a_100000690907_100012276601 [0,2,0,0,0,0|1,0,0]=3 29129 B14R1.677 CC(O)CCOCc1ccc(cc1)I 7a_100000690907_100012276601 [0,2,0,0,0,0|1,0,0]=3 29130 B14R1.677 CC(O)CCOCc1ccc(cc1)N 34a_100011215238_100012276601 [0,2,0,0,0,0|1,0,0]=3 29131 B14R1.677 CC(O)CCOCc1ccc(cn1)Br 34a_100000754261_100012276601 [0,2,0,0,0,0|2,0,0]=4 29132 B14R1.677 CC(O)CCOCc1ccc(cn1)Cl 34a_100000703999_100012276601 [0,2,0,0,0,0|2,0,0]=4 29133 B14R1.677 CC(O)CCOCc1ccc(cn1)F 34a_100011999454_100012276601 [0,2,0,0,0,0|2,0,0]=4 29134 B14R1.677 CC(O)CCOCc1ccc(cn1)N 34a_100011998161_100012276601 [0,2,0,0,0,0|2,0,0]=4 29135 B14R1.677 CC(O)CCOCc1ccc(nc1)Br 34a_100009816760_100012276601 [0,2,0,0,0,0|2,0,0]=4 29136 B14R1.677 CC(O)CCOCc1ccc(nc1)Br 7a_100009816760_100012276601 [0,2,0,0,0,0|2,0,0]=4 29137 B14R1.677 CC(O)CCOCc1ccc(nc1)Cl 34a_100000755211_100012276601 [0,2,0,0,0,0|2,0,0]=4 29138 B14R1.677 CC(O)CCOCc1ccc(nc1)Cl 7a_100000755211_100012276601 [0,2,0,0,0,0|2,0,0]=4 29139 B14R1.677 CC(O)CCOCc1ccc(nc1)F 34a_100000079959_100012276601 [0,2,0,0,0,0|2,0,0]=4 29140 B14R1.677 CC(O)CCOCc1ccc(nc1)N 34a_100000704267_100012276601 [0,2,0,0,0,0|2,0,0]=4 29141 B14R1.677 CC(O)CCSCc1ccc(cc1)Br 62a_100000189115_100012276601 [0,2,0,0,0,0|1,0,0]=3 29142 B14R1.677 CC(O)CCSCc1ccc(cc1)Br 62a_100012276601_100000189115 [0,2,0,0,0,0|1,0,0]=3 29143 B14R1.677 CC(O)CCSCc1ccc(cc1)Cl 62a_100000187161_100012276601 [0,2,0,0,0,0|1,0,0]=3 29144 B14R1.677 CC(O)CCSCc1ccc(cc1)Cl 62a_100012276601_100000187161 [0,2,0,0,0,0|1,0,0]=3 29145 B14R1.677 CC(O)CCSCc1ccc(cc1)F 62a_100000198546_100012276601 [0,2,0,0,0,0|1,0,0]=3 29146 B14R1.677 CC(O)CCSCc1ccc(cc1)F 62a_100012276601_100000187164 [0,2,0,0,0,0|1,0,0]=3 29147 B14R1.677 CC(O)CCSCc1ccc(cc1)I 62a_100000189116_100012276601 [0,2,0,0,0,0|1,0,0]=3 29148 B14R1.677 CC(O)CCSCc1ccc(cc1)I 62a_100012276601_100000189116 [0,2,0,0,0,0|1,0,0]=3 29149 B14R1.677 CC(O)CCSCc1ccc(cn1)Br 62a_100000702658_100012276601 [0,2,0,0,0,0|2,0,0]=4 29150 B14R1.677 CC(O)CCSCc1ccc(cn1)Br 62a_100012276601_100000702658 [0,2,0,0,0,0|2,0,0]=4 29151 B14R1.677 CC(O)CCSCc1ccc(cn1)Cl 62a_100012066911_100012276601 [0,2,0,0,0,0|2,0,0]=4 29152 B14R1.677 CC(O)CCSCc1ccc(cn1)Cl 62a_100012276601_100000697101 [0,2,0,0,0,0|2,0,0]=4 29153 B14R1.677 CC(O)CCSCc1ccc(cn1)F 62a_100000703193_100012276601 [0,2,0,0,0,0|2,0,0]=4 29154 B14R1.677 CC(O)CCSCc1ccc(cn1)F 62a_100012276601_100000703193 [0,2,0,0,0,0|2,0,0]=4 29155 B14R1.677 CC(O)CCSCc1ccc(nc1)Br 62a_100009831999_100012276601 [0,2,0,0,0,0|2,0,0]=4 29156 B14R1.677 CC(O)CCSCc1ccc(nc1)Br 62a_100012276601_100009831999 [0,2,0,0,0,0|2,0,0]=4 29157 B14R1.677 CC(O)CCSCc1ccc(nc1)Cl 62a_100000735431_100012276601 [0,2,0,0,0,0|2,0,0]=4 29158 B14R1.677 CC(O)CCSCc1ccc(nc1)Cl 62a_100012276601_100000735431 [0,2,0,0,0,0|2,0,0]=4 29159 B14R1.677 CC(O)CCSCc1ccc(nc1)F 62a_100009820150_100012276601 [0,2,0,0,0,0|2,0,0]=4 29160 B14R1.677 CC(O)CCSCc1ccc(nc1)F 62a_100012276601_100000099788 [0,2,0,0,0,0|2,0,0]=4 29161 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 2230a_100000210904_100011740612 [0,2,0,0,0,0|1,0,0]=3 29162 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 2230a_100000755846_100011218427 [0,2,0,0,0,0|1,0,0]=3 29163 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 34a_100000210904_100011740612 [0,2,0,0,0,0|1,0,0]=3 29164 B14R1.677 CC(O)CNCCc1ccc(cc1)Br 34a_100000755846_100011218427 [0,2,0,0,0,0|1,0,0]=3 29165 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011218427 [0,2,0,0,0,0|1,0,0]=3 29166 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 2230a_100000210904_100011713675 [0,2,0,0,0,0|1,0,0]=3 29167 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 34a_100000185265_100011218427 [0,2,0,0,0,0|1,0,0]=3 29168 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl 34a_100000210904_100011713675 [0,2,0,0,0,0|1,0,0]=3 29169 B14R1.677 CC(O)CNCCc1ccc(cc1)F 2230a_100000199005_100011218427 [0,2,0,0,0,0|1,0,0]=3 29170 B14R1.677 CC(O)CNCCc1ccc(cc1)F 2230a_100000210904_100011217392 [0,2,0,0,0,0|1,0,0]=3 29171 B14R1.677 CC(O)CNCCc1ccc(cc1)F 34a_100000199005_100011218427 [0,2,0,0,0,0|1,0,0]=3 29172 B14R1.677 CC(O)CNCCc1ccc(cc1)F 34a_100000210904_100011217392 [0,2,0,0,0,0|1,0,0]=3 29173 B14R1.677 CC(O)CNCCc1ccc(cc1)O 2230a_100000210904_100009816426 [0,2,0,0,0,0|1,0,0]=3 29174 B14R1.677 CC(O)CNCCc1ccc(cc1)O 34a_100000743037_100011218427 [0,2,0,0,0,0|1,0,0]=3 29175 B14R1.677 CC(O)COCCc1ccc(cc1)Br 34a_100000766406_100011218427 [0,2,0,0,0,0|1,0,0]=3 29176 B14R1.677 CC(O)COCCc1ccc(cc1)Br 7a_100000766406_100011218427 [0,2,0,0,0,0|1,0,0]=3 29177 B14R1.677 CC(O)COCCc1ccc(cc1)Cl 34a_100011219627_100011218427 [0,2,0,0,0,0|1,0,0]=3 29178 B14R1.677 CC(O)COCCc1ccc(cc1)Cl 7a_100011219627_100011218427 [0,2,0,0,0,0|1,0,0]=3 29179 B14R1.677 CC(O)COCCc1ccc(cc1)F 34a_100000754732_100011218427 [0,2,0,0,0,0|1,0,0]=3 29180 B14R1.677 CC(O)COCCc1ccc(cc1)F 7a_100000754732_100011218427 [0,2,0,0,0,0|1,0,0]=3 29181 B14R1.677 CC(O)COCCc1ccc(cc1)I 34a_100012291149_100011218427 [0,2,0,0,0,0|1,0,0]=3 29182 B14R1.677 CC(O)COCCc1ccc(cc1)I 7a_100012291149_100011218427 [0,2,0,0,0,0|1,0,0]=3 29183 B14R1.677 CC(O)COCCc1ccc(cc1)N 34a_100011204434_100011218427 [0,2,0,0,0,0|1,0,0]=3 29184 B14R1.677 CC(O)COCCc1ccc(cn1)Br 34a_100012357577_100011218427 [0,2,0,0,0,0|2,0,0]=4 29185 B14R1.677 CC(O)COCCc1ccc(nc1)Cl 34a_100009880866_100011218427 [0,2,0,0,0,0|2,0,0]=4 29186 B14R1.677 CC(O)COCCc1ccc(nc1)Cl 7a_100009880866_100011218427 [0,2,0,0,0,0|2,0,0]=4 29187 B14R1.677 CC(O)CSCCc1ccc(cc1)Br 62a_100011218427_100011740612 [0,2,0,0,0,0|1,0,0]=3 29188 B14R1.677 CC(O)CSCCc1ccc(cc1)Br 62a_100011740612_100011218427 [0,2,0,0,0,0|1,0,0]=3 29189 B14R1.677 CC(O)CSCCc1ccc(cc1)Cl 62a_100011218427_100011713675 [0,2,0,0,0,0|1,0,0]=3 29190 B14R1.677 CC(O)CSCCc1ccc(cc1)Cl 62a_100011713675_100011218427 [0,2,0,0,0,0|1,0,0]=3 29191 B14R1.677 CC(O)CSCCc1ccc(cc1)F 62a_100011217392_100011218427 [0,2,0,0,0,0|1,0,0]=3 29192 B14R1.677 CC(O)CSCCc1ccc(cc1)F 62a_100011218427_100011217392 [0,2,0,0,0,0|1,0,0]=3 29193 B14R1.677 CC(O)CSCCc1ccc(cc1)O 62a_100009816426_100011218427 [0,2,0,0,0,0|1,0,0]=3 29194 B14R1.677 CC(O)CSCCc1ccc(cc1)O 62a_100011218427_100009816426 [0,2,0,0,0,0|1,0,0]=3 29195 B14R1.677 CN(C)CCCCc1ccc(cc1)Br 2230a_100102631434_200012094861 [0,2,0,0,0,0|2,0,0]=4 29196 B14R1.677 CN(C)CCCCc1ccc(cc1)Br 269982a_100102631434_200012094861 [0,2,0,0,0,0|2,0,0]=4 29197 B14R1.677 CN(C)CCCCc1ccc(cc1)F 2230a_100102631434_100012093538 [0,2,0,0,0,0|2,0,0]=4 29198 B14R1.677 CN(C)CCCCc1ccc(cc1)F 269982a_100102631434_100012093538 [0,2,0,0,0,0|2,0,0]=4 29199 B14R1.677 C[C@@H](Cl)COCCc1ccc(cc1)Br 34a_100016084084_100011740612 [0,2,0,0,0,0|2,0,0]=4 29200 B14R1.677 C[C@@H](Cl)COCCc1ccc(cc1)Cl 34a_100016084084_100011713675 [0,2,0,0,0,0|2,0,0]=4 29201 B14R1.677 C[C@@H](Cl)COCCc1ccc(cc1)F 34a_100016084084_100011217392 [0,2,0,0,0,0|2,0,0]=4 29202 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)Br 34a_100000706166_100000189115 [0,2,0,0,0,0|2,0,0]=4 29203 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)Cl 34a_100000706166_100000694040 [0,2,0,0,0,0|2,0,0]=4 29204 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)F 34a_100000706166_100000198546 [0,2,0,0,0,0|2,0,0]=4 29205 B14R1.677 C[C@@H](N)CCOCc1ccc(cc1)I 34a_100000706166_100000189116 [0,2,0,0,0,0|2,0,0]=4 29206 B14R1.677 C[C@@H](N)COCCc1ccc(cc1)Br 34a_100000737577_100011740612 [0,2,0,0,0,0|2,0,0]=4 29207 B14R1.677 C[C@@H](N)COCCc1ccc(cc1)Cl 34a_100000737577_100011713675 [0,2,0,0,0,0|2,0,0]=4 29208 B14R1.677 C[C@@H](N)COCCc1ccc(cc1)F 34a_100000737577_100011217392 [0,2,0,0,0,0|2,0,0]=4 29209 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Br 2230a_100000755846_100009817552 [0,2,0,0,0,0|1,0,0]=3 29210 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Br 34a_100000755846_100009817552 [0,2,0,0,0,0|1,0,0]=3 29211 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Cl 2230a_100000185265_100009817552 [0,2,0,0,0,0|1,0,0]=3 29212 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)Cl 34a_100000185265_100009817552 [0,2,0,0,0,0|1,0,0]=3 29213 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)F 2230a_100000199005_100009817552 [0,2,0,0,0,0|1,0,0]=3 29214 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)F 34a_100000199005_100009817552 [0,2,0,0,0,0|1,0,0]=3 29215 B14R1.677 C[C@@H](O)CNCCc1ccc(cc1)O 34a_100000743037_100009817552 [0,2,0,0,0,0|1,0,0]=3 29216 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Br 34a_100000766406_100009817552 [0,2,0,0,0,0|1,0,0]=3 29217 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Br 7a_100000766406_100009817552 [0,2,0,0,0,0|1,0,0]=3 29218 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Cl 34a_100011219627_100009817552 [0,2,0,0,0,0|1,0,0]=3 29219 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)Cl 7a_100011219627_100009817552 [0,2,0,0,0,0|1,0,0]=3 29220 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)F 34a_100000754732_100009817552 [0,2,0,0,0,0|1,0,0]=3 29221 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)F 7a_100000754732_100009817552 [0,2,0,0,0,0|1,0,0]=3 29222 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)I 34a_100012291149_100009817552 [0,2,0,0,0,0|1,0,0]=3 29223 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)I 7a_100012291149_100009817552 [0,2,0,0,0,0|1,0,0]=3 29224 B14R1.677 C[C@@H](O)COCCc1ccc(cc1)N 34a_100011204434_100009817552 [0,2,0,0,0,0|1,0,0]=3 29225 B14R1.677 C[C@@H](O)COCCc1ccc(cn1)Br 34a_100012357577_100009817552 [0,2,0,0,0,0|2,0,0]=4 29226 B14R1.677 C[C@@H](O)COCCc1ccc(nc1)Cl 34a_100009880866_100009817552 [0,2,0,0,0,0|2,0,0]=4 29227 B14R1.677 C[C@@H](O)COCCc1ccc(nc1)Cl 7a_100009880866_100009817552 [0,2,0,0,0,0|2,0,0]=4 29228 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Br 62a_100009817552_100011740612 [0,2,0,0,0,0|1,0,0]=3 29229 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Br 62a_100011740612_100009817552 [0,2,0,0,0,0|1,0,0]=3 29230 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Cl 62a_100009817552_100011713675 [0,2,0,0,0,0|1,0,0]=3 29231 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)Cl 62a_100011713675_100009817552 [0,2,0,0,0,0|1,0,0]=3 29232 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)F 62a_100009817552_100011217392 [0,2,0,0,0,0|1,0,0]=3 29233 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)F 62a_100011217392_100009817552 [0,2,0,0,0,0|1,0,0]=3 29234 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)O 62a_100009816426_100009817552 [0,2,0,0,0,0|1,0,0]=3 29235 B14R1.677 C[C@@H](O)CSCCc1ccc(cc1)O 62a_100009817552_100009816426 [0,2,0,0,0,0|1,0,0]=3 29236 B14R1.677 Cc1ccc(cc1)CCCNC(C)C 2230a_100011236272_100000210206 [0,2,0,0,0,0|2,0,0]=4 29237 B14R1.677 Cc1ccc(cc1)CCCNC(C)C 34a_100011236272_100000210206 [0,2,0,0,0,0|2,0,0]=4 29238 B14R1.677 Cc1ccc(cc1)CCCOC(C)C 34a_100000189427_100000210206 [0,2,0,0,0,0|2,0,0]=4 29239 B14R1.677 Cc1ccc(cc1)CCCOC(C)C 7a_100000189427_100000210206 [0,2,0,0,0,0|2,0,0]=4 29240 B14R1.677 Cc1ccc(cc1)CCNCC(=O)O 269956a_100016091260_100011713686 [0,2,0,0,0,0|1,0,1]=4 29241 B14R1.677 Cc1ccc(cc1)CCNCC(C)C 2230a_100000210953_100011713686 [0,2,0,0,0,0|2,0,0]=4 29242 B14R1.677 Cc1ccc(cc1)CCNCC(C)C 2230a_100000705350_100000210760 [0,2,0,0,0,0|2,0,0]=4 29243 B14R1.677 Cc1ccc(cc1)CCNCC(C)C 270004a_100000705350_100000210432 [0,2,0,0,0,0|2,0,0]=4 29244 B14R1.677 Cc1ccc(cc1)CCNCC(C)C 34a_100000210953_100011713686 [0,2,0,0,0,0|2,0,0]=4 29245 B14R1.677 Cc1ccc(cc1)CCNCC(C)C 34a_100000705350_100000210624 [0,2,0,0,0,0|2,0,0]=4 29246 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 2230a_100000210904_100011713686 [0,2,0,0,0,0|1,0,0]=3 29247 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 2230a_100000705350_100011218427 [0,2,0,0,0,0|1,0,0]=3 29248 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 34a_100000210904_100011713686 [0,2,0,0,0,0|1,0,0]=3 29249 B14R1.677 Cc1ccc(cc1)CCNCC(C)O 34a_100000705350_100011218427 [0,2,0,0,0,0|1,0,0]=3 29250 B14R1.677 Cc1ccc(cc1)CCNCC(F)F 2230a_100000705350_100011934356 [0,2,0,0,0,0|2,0,0]=4 29251 B14R1.677 Cc1ccc(cc1)CCNCC(F)F 34a_100000705350_100011934356 [0,2,0,0,0,0|2,0,0]=4 29252 B14R1.677 Cc1ccc(cc1)CCNCC(F)F 34a_100000765723_100011713686 [0,2,0,0,0,0|2,0,0]=4 29253 B14R1.677 Cc1ccc(cc1)CCNC[C@@H](C)O 2230a_100000705350_100009817552 [0,2,0,0,0,0|1,0,0]=3 29254 B14R1.677 Cc1ccc(cc1)CCNC[C@@H](C)O 34a_100000705350_100009817552 [0,2,0,0,0,0|1,0,0]=3 29255 B14R1.677 Cc1ccc(cc1)CCOCC(C)Br 34a_100012180447_100011713686 [0,2,0,0,0,0|2,0,0]=4 29256 B14R1.677 Cc1ccc(cc1)CCOCC(C)C 34a_100000210257_100011713686 [0,2,0,0,0,0|2,0,0]=4 29257 B14R1.677 Cc1ccc(cc1)CCOCC(C)C 34a_100000756670_100000210624 [0,2,0,0,0,0|2,0,0]=4 29258 B14R1.677 Cc1ccc(cc1)CCOCC(C)C 7a_100000756670_100000210760 [0,2,0,0,0,0|2,0,0]=4 29259 B14R1.677 Cc1ccc(cc1)CCOCC(C)F 34a_100015925927_100011713686 [0,2,0,0,0,0|2,0,0]=4 29260 B14R1.677 Cc1ccc(cc1)CCOCC(C)O 34a_100000756670_100011218427 [0,2,0,0,0,0|1,0,0]=3 29261 B14R1.677 Cc1ccc(cc1)CCOCC(C)O 7a_100000756670_100011218427 [0,2,0,0,0,0|1,0,0]=3 29262 B14R1.677 Cc1ccc(cc1)CCOCC(F)F 34a_100000743014_100011713686 [0,2,0,0,0,0|2,0,0]=4 29263 B14R1.677 Cc1ccc(cc1)CCOCC(F)F 34a_100000756670_100011934356 [0,2,0,0,0,0|2,0,0]=4 29264 B14R1.677 Cc1ccc(cc1)CCOCC(F)F 7a_100000756670_100011934356 [0,2,0,0,0,0|2,0,0]=4 29265 B14R1.677 Cc1ccc(cc1)CCOC[C@@H](C)Cl 34a_100016084084_100011713686 [0,2,0,0,0,0|2,0,0]=4 29266 B14R1.677 Cc1ccc(cc1)CCOC[C@@H](C)N 34a_100000737577_100011713686 [0,2,0,0,0,0|2,0,0]=4 29267 B14R1.677 Cc1ccc(cc1)CCOC[C@@H](C)O 34a_100000756670_100009817552 [0,2,0,0,0,0|1,0,0]=3 29268 B14R1.677 Cc1ccc(cc1)CCOC[C@@H](C)O 7a_100000756670_100009817552 [0,2,0,0,0,0|1,0,0]=3 29269 B14R1.677 Cc1ccc(cc1)CCSCC(C)C 62a_100000210624_100011713686 [0,2,0,0,0,0|2,0,0]=4 29270 B14R1.677 Cc1ccc(cc1)CCSCC(C)C 62a_100011713686_100000210760 [0,2,0,0,0,0|2,0,0]=4 29271 B14R1.677 Cc1ccc(cc1)CCSCC(C)O 62a_100011218427_100011713686 [0,2,0,0,0,0|1,0,0]=3 29272 B14R1.677 Cc1ccc(cc1)CCSCC(C)O 62a_100011713686_100011218427 [0,2,0,0,0,0|1,0,0]=3 29273 B14R1.677 Cc1ccc(cc1)CCSCC(F)F 62a_100011713686_100011934356 [0,2,0,0,0,0|2,0,0]=4 29274 B14R1.677 Cc1ccc(cc1)CCSCC(F)F 62a_100011934356_100011713686 [0,2,0,0,0,0|2,0,0]=4 29275 B14R1.677 Cc1ccc(cc1)CCSC[C@@H](C)O 62a_100009817552_100011713686 [0,2,0,0,0,0|1,0,0]=3 29276 B14R1.677 Cc1ccc(cc1)CCSC[C@@H](C)O 62a_100011713686_100009817552 [0,2,0,0,0,0|1,0,0]=3 29277 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 207a_100000210545_100000211033 [0,2,0,0,0,0|2,0,0]=4 29278 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 2230a_100000174908_100000210312 [0,2,0,0,0,0|2,0,0]=4 29279 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 269862a_100000174908_100000185833 [0,2,0,0,0,0|2,0,0]=4 29280 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 26a_100000210545_200020625495 [0,2,0,0,0,0|2,0,0]=4 29281 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 270004a_100000210545_100000211033 [0,2,0,0,0,0|2,0,0]=4 29282 B14R1.677 Cc1ccc(cc1)CNCCC(C)C 34a_100000174908_100000210312 [0,2,0,0,0,0|2,0,0]=4 29283 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 207a_200000755665_100000211033 [0,2,0,0,0,0|1,0,0]=3 29284 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 2230a_100000174908_100012276601 [0,2,0,0,0,0|1,0,0]=3 29285 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 2230a_200000755665_100000210814 [0,2,0,0,0,0|1,0,0]=3 29286 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 270004a_200000755665_100000211033 [0,2,0,0,0,0|1,0,0]=3 29287 B14R1.677 Cc1ccc(cc1)CNCCC(C)O 34a_100000174908_100012276601 [0,2,0,0,0,0|1,0,0]=3 29288 B14R1.677 Cc1ccc(cc1)COCCC(C)Br 34a_100009893172_100000210814 [0,2,0,0,0,0|2,0,0]=4 29289 B14R1.677 Cc1ccc(cc1)COCCC(C)C 34a_100000210254_100000210814 [0,2,0,0,0,0|2,0,0]=4 29290 B14R1.677 Cc1ccc(cc1)COCCC(C)C 34a_100011215236_100000210312 [0,2,0,0,0,0|2,0,0]=4 29291 B14R1.677 Cc1ccc(cc1)COCCC(C)C 7a_100000210254_100000210814 [0,2,0,0,0,0|2,0,0]=4 29292 B14R1.677 Cc1ccc(cc1)COCCC(C)C 7a_100011215236_100000210626 [0,2,0,0,0,0|2,0,0]=4 29293 B14R1.677 Cc1ccc(cc1)COCCC(C)O 34a_100011215236_100012276601 [0,2,0,0,0,0|1,0,0]=3 29294 B14R1.677 Cc1ccc(cc1)COCCC(C)O 7a_100011215236_100012276601 [0,2,0,0,0,0|1,0,0]=3 29295 B14R1.677 Cc1ccc(cc1)COCCC(F)F 34a_100103093639_100000210814 [0,2,0,0,0,0|2,0,0]=4 29296 B14R1.677 Cc1ccc(cc1)COCC[C@@H](C)N 34a_100000706166_100000210814 [0,2,0,0,0,0|2,0,0]=4 29297 B14R1.677 Cc1ccc(cc1)CSCCC(C)C 62a_100000210312_100000210814 [0,2,0,0,0,0|2,0,0]=4 29298 B14R1.677 Cc1ccc(cc1)CSCCC(C)C 62a_100000210814_100000210312 [0,2,0,0,0,0|2,0,0]=4 29299 B14R1.677 Cc1ccc(cc1)CSCCC(C)O 62a_100000210814_100012276601 [0,2,0,0,0,0|1,0,0]=3 29300 B14R1.677 Cc1ccc(cc1)CSCCC(C)O 62a_100012276601_100000210814 [0,2,0,0,0,0|1,0,0]=3 29301 B14R1.677 Cc1ccc(cc1)NCCCC(C)C 34a_100000124888_100011214892 [0,2,0,0,0,0|2,0,0]=4 29302 B14R1.677 Cc1ccc(cc1)NCCCC(C)O 34a_100000124888_200000718107 [0,2,0,0,0,0|1,0,0]=3 29303 B14R1.677 Cc1ccc(cc1)OCCCC(C)C 34a_100000210336_100011214892 [0,2,0,0,0,0|2,0,0]=4 29304 B14R1.677 Cc1ccc(cc1)OCCCC(C)C 7a_100000210336_100011214892 [0,2,0,0,0,0|2,0,0]=4 29305 B14R1.677 Cc1ccc(cc1)OCCCC(C)O 34a_100000210336_200000718107 [0,2,0,0,0,0|1,0,0]=3 29306 B14R1.677 Cc1ccc(cc1)OCCCC(C)O 7a_100000210336_200000718107 [0,2,0,0,0,0|1,0,0]=3 29307 B14R1.677 Cc1ccc(cc1)SCCCC(C)C 62a_100000186775_100011214892 [0,2,0,0,0,0|2,0,0]=4 29308 B14R1.677 Cc1ccc(cc1)SCCCC(C)C 62a_100011214892_100000186775 [0,2,0,0,0,0|2,0,0]=4 29309 B14R1.677 Cc1ccc(cc1)SCCCC(C)O 62a_100000186775_200000718107 [0,2,0,0,0,0|1,0,0]=3 29310 B14R1.677 Cc1ccc(cc1)SCCCC(C)O 62a_200000718107_100000186775 [0,2,0,0,0,0|1,0,0]=3 29311 B14R1.677 Cc1ccc(cn1)CCOCC(C)O 34a_100011815783_100011218427 [0,2,0,0,0,0|2,0,0]=4 29312 B14R1.677 Cc1ccc(cn1)CCOC[C@@H](C)O 34a_100011815783_100009817552 [0,2,0,0,0,0|2,0,0]=4 29313 B14R1.677 Cc1ccc(cn1)CNCCC(C)O 2230a_200000755665_100016987292 [0,2,0,0,0,0|2,0,0]=4 29314 B14R1.677 Cc1ccc(cn1)CNCCC(C)O 270004a_200000755665_100000743784 [0,2,0,0,0,0|2,0,0]=4 29315 B14R1.677 Cc1ccc(cn1)CNCCC(C)O 34a_100000740942_100012276601 [0,2,0,0,0,0|2,0,0]=4 29316 B14R1.677 Cc1ccc(cn1)COCCC(C)O 34a_100011248133_100012276601 [0,2,0,0,0,0|2,0,0]=4 29317 B14R1.677 Cc1ccc(cn1)CSCCC(C)O 62a_100012276601_100016987292 [0,2,0,0,0,0|2,0,0]=4 29318 B14R1.677 Cc1ccc(cn1)CSCCC(C)O 62a_100016987292_100012276601 [0,2,0,0,0,0|2,0,0]=4 29319 B14R1.677 Cc1ccc(cn1)OCCCC(C)O 34a_100000745506_200000718107 [0,2,0,0,0,0|2,0,0]=4 29320 B14R1.677 Cc1ccc(cn1)OCCCC(C)O 7a_100000745506_200000718107 [0,2,0,0,0,0|2,0,0]=4 29321 B14R1.677 Cc1ccc(cn1)SCCCC(C)O 62a_100000751577_200000718107 [0,2,0,0,0,0|2,0,0]=4 29322 B14R1.677 Cc1ccc(cn1)SCCCC(C)O 62a_200000718107_100000751577 [0,2,0,0,0,0|2,0,0]=4 29323 B14R1.677 Cc1ccc(nc1)CNCCC(C)O 207a_200000755665_100000050478 [0,2,0,0,0,0|2,0,0]=4 29324 B14R1.677 Cc1ccc(nc1)CNCCC(C)O 2230a_200000755665_100000691093 [0,2,0,0,0,0|2,0,0]=4 29325 B14R1.677 Cc1ccc(nc1)CNCCC(C)O 270004a_200000755665_100000050478 [0,2,0,0,0,0|2,0,0]=4 29326 B14R1.677 Cc1ccc(nc1)CNCCC(C)O 34a_100015187455_100012276601 [0,2,0,0,0,0|2,0,0]=4 29327 B14R1.677 Cc1ccc(nc1)COCCC(C)O 34a_100012001401_100012276601 [0,2,0,0,0,0|2,0,0]=4 29328 B14R1.677 Cc1ccc(nc1)CSCCC(C)O 62a_100000691093_100012276601 [0,2,0,0,0,0|2,0,0]=4 29329 B14R1.677 Cc1ccc(nc1)CSCCC(C)O 62a_100012276601_100000691093 [0,2,0,0,0,0|2,0,0]=4 29330 B14R1.677 Cc1ccc(nc1)OCCCC(C)O 34a_100000759353_200000718107 [0,2,0,0,0,0|2,0,0]=4 29331 B14R1.677 Cc1ccc(nc1)SCCCC(C)O 62a_100011192072_200000718107 [0,2,0,0,0,0|2,0,0]=4 29332 B14R1.677 Cc1ccc(nc1)SCCCC(C)O 62a_200000718107_100000754016 [0,2,0,0,0,0|2,0,0]=4 29333 B14R1.677 FC(F)CCOCc1ccc(cc1)Br 34a_100103093639_100000189115 [0,2,0,0,0,0|2,0,0]=4 29334 B14R1.677 FC(F)CCOCc1ccc(cc1)Cl 34a_100103093639_100000694040 [0,2,0,0,0,0|2,0,0]=4 29335 B14R1.677 FC(F)CCOCc1ccc(cc1)I 34a_100103093639_100000189116 [0,2,0,0,0,0|2,0,0]=4 29336 B14R1.677 FC(F)CNCCc1ccc(cc1)Br 2230a_100000755846_100011934356 [0,2,0,0,0,0|2,0,0]=4 29337 B14R1.677 FC(F)CNCCc1ccc(cc1)Br 34a_100000755846_100011934356 [0,2,0,0,0,0|2,0,0]=4 29338 B14R1.677 FC(F)CNCCc1ccc(cc1)Br 34a_100000765723_100011740612 [0,2,0,0,0,0|2,0,0]=4 29339 B14R1.677 FC(F)CNCCc1ccc(cc1)Cl 2230a_100000185265_100011934356 [0,2,0,0,0,0|2,0,0]=4 29340 B14R1.677 FC(F)CNCCc1ccc(cc1)Cl 34a_100000185265_100011934356 [0,2,0,0,0,0|2,0,0]=4 29341 B14R1.677 FC(F)CNCCc1ccc(cc1)Cl 34a_100000765723_100011713675 [0,2,0,0,0,0|2,0,0]=4 29342 B14R1.677 FC(F)COCCc1ccc(cc1)Br 34a_100000743014_100011740612 [0,2,0,0,0,0|2,0,0]=4 29343 B14R1.677 FC(F)COCCc1ccc(cc1)Br 34a_100000766406_100011934356 [0,2,0,0,0,0|2,0,0]=4 29344 B14R1.677 FC(F)COCCc1ccc(cc1)Br 7a_100000766406_100011934356 [0,2,0,0,0,0|2,0,0]=4 29345 B14R1.677 FC(F)COCCc1ccc(cc1)Cl 34a_100000743014_100011713675 [0,2,0,0,0,0|2,0,0]=4 29346 B14R1.677 FC(F)COCCc1ccc(cc1)Cl 34a_100011219627_100011934356 [0,2,0,0,0,0|2,0,0]=4 29347 B14R1.677 FC(F)COCCc1ccc(cc1)Cl 7a_100011219627_100011934356 [0,2,0,0,0,0|2,0,0]=4 29348 B14R1.677 FC(F)COCCc1ccc(cc1)I 34a_100012291149_100011934356 [0,2,0,0,0,0|2,0,0]=4 29349 B14R1.677 FC(F)COCCc1ccc(cc1)I 7a_100012291149_100011934356 [0,2,0,0,0,0|2,0,0]=4 29350 B14R1.677 FC(F)CSCCc1ccc(cc1)Br 62a_100011740612_100011934356 [0,2,0,0,0,0|2,0,0]=4 29351 B14R1.677 FC(F)CSCCc1ccc(cc1)Br 62a_100011934356_100011740612 [0,2,0,0,0,0|2,0,0]=4 29352 B14R1.677 FC(F)CSCCc1ccc(cc1)Cl 62a_100011713675_100011934356 [0,2,0,0,0,0|2,0,0]=4 29353 B14R1.677 FC(F)CSCCc1ccc(cc1)Cl 62a_100011934356_100011713675 [0,2,0,0,0,0|2,0,0]=4 29354 B14R1.677 Fc1ccc(cc1)CCNCC(F)F 2230a_100000199005_100011934356 [0,2,0,0,0,0|2,0,0]=4 29355 B14R1.677 Fc1ccc(cc1)CCNCC(F)F 34a_100000199005_100011934356 [0,2,0,0,0,0|2,0,0]=4 29356 B14R1.677 Fc1ccc(cc1)CCNCC(F)F 34a_100000765723_100011217392 [0,2,0,0,0,0|2,0,0]=4 29357 B14R1.677 Fc1ccc(cc1)CCOCC(F)F 34a_100000743014_100011217392 [0,2,0,0,0,0|2,0,0]=4 29358 B14R1.677 Fc1ccc(cc1)CCOCC(F)F 34a_100000754732_100011934356 [0,2,0,0,0,0|2,0,0]=4 29359 B14R1.677 Fc1ccc(cc1)CCOCC(F)F 7a_100000754732_100011934356 [0,2,0,0,0,0|2,0,0]=4 29360 B14R1.677 Fc1ccc(cc1)CCSCC(F)F 62a_100011217392_100011934356 [0,2,0,0,0,0|2,0,0]=4 29361 B14R1.677 Fc1ccc(cc1)CCSCC(F)F 62a_100011934356_100011217392 [0,2,0,0,0,0|2,0,0]=4 29362 B14R1.677 Fc1ccc(cc1)COCCC(F)F 34a_100103093639_100000198546 [0,2,0,0,0,0|2,0,0]=4 29363 B14R1.677 Nc1ccc(cc1)CCOCC(F)F 34a_100011204434_100011934356 [0,2,0,0,0,0|2,0,0]=4 29364 B14R1.677 O=C(O)CNCCc1ccc(cc1)Br 269956a_100016091260_100011740612 [0,2,0,0,0,0|1,0,1]=4 29365 B14R1.677 O=C(O)CNCCc1ccc(cc1)Cl 269956a_100016091260_100011713675 [0,2,0,0,0,0|1,0,1]=4 29366 B14R1.677 O=C(O)CNCCc1ccc(cc1)F 269956a_100016091260_100011217392 [0,2,0,0,0,0|1,0,1]=4 29367 B14R1.677 O=C(O)CNCCc1ccc(cc1)O 269956a_100016091260_100009816426 [0,2,0,0,0,0|1,0,1]=4 29368 B14R1.677 Oc1ccc(cc1)CCNCC(F)F 34a_100000743037_100011934356 [0,2,0,0,0,0|2,0,0]=4 29369 B14R1.677 Oc1ccc(cc1)CCSCC(F)F 62a_100009816426_100011934356 [0,2,0,0,0,0|2,0,0]=4 29370 B14R1.677 Oc1ccc(cc1)CCSCC(F)F 62a_100011934356_100009816426 [0,2,0,0,0,0|2,0,0]=4 29371 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Br 1458a_100000741018_200025704644 [0,2,0,0,0,0|0,0,2]=4 29372 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)Cl 1458a_100000684701_200025704644 [0,2,0,0,0,0|0,0,2]=4 29373 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)F 1458a_100000703604_200025704644 [0,2,0,0,0,0|0,0,2]=4 29374 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)I 1458a_100000749853_200025704644 [0,2,0,0,0,0|0,0,2]=4 29375 B14R1.677 [13CH3]C(=O)CCCCc1ccc(cc1)O 1458a_100000047048_200025704644 [0,2,0,0,0,0|0,0,2]=4 29376 B14R1.774 BrCCCOCc1ccc(cc1Br)Br 34a_100011217188_200012351560 [0,2,0,0,0,0|2,0,0]=4 29377 B14R1.774 BrCCCOCc1ccc(cc1Br)I 34a_100011217188_100010146610 [0,2,0,0,0,0|2,0,0]=4 29378 B14R1.774 BrCCCOCc1ccc(cc1I)Br 34a_100011217188_100010146615 [0,2,0,0,0,0|2,0,0]=4 29379 B14R1.774 CCCCCNc1ccc(cc1Br)Br 34a_100000211012_100000718602 [0,2,0,0,0,0|2,0,0]=4 29380 B14R1.774 CCCCCNc1ccc(cc1Br)C 34a_100000210942_100000718602 [0,2,0,0,0,0|2,0,0]=4 29381 B14R1.774 CCCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000718602 [0,2,0,0,0,0|2,0,0]=4 29382 B14R1.774 CCCCCNc1ccc(cc1Br)F 34a_100000738039_100000718602 [0,2,0,0,0,0|2,0,0]=4 29383 B14R1.774 CCCCCNc1ccc(cc1Br)O 34a_100012001276_100000718602 [0,2,0,0,0,0|2,0,0]=4 29384 B14R1.774 CCCCCNc1ccc(cc1C)Br 34a_100000211769_100000718602 [0,2,0,0,0,0|2,0,0]=4 29385 B14R1.774 CCCCCNc1ccc(cc1C)Br 7a_100000211769_100000210326 [0,2,0,0,0,0|2,0,0]=4 29386 B14R1.774 CCCCCNc1ccc(cc1C)C 34a_100000736561_100000718602 [0,2,0,0,0,0|2,0,0]=4 29387 B14R1.774 CCCCCNc1ccc(cc1C)C 7a_100000736561_100000210326 [0,2,0,0,0,0|2,0,0]=4 29388 B14R1.774 CCCCCNc1ccc(cc1C)Cl 34a_100000210418_100000718602 [0,2,0,0,0,0|2,0,0]=4 29389 B14R1.774 CCCCCNc1ccc(cc1C)Cl 7a_100000210418_100000210326 [0,2,0,0,0,0|2,0,0]=4 29390 B14R1.774 CCCCCNc1ccc(cc1C)F 34a_100000211637_100000718602 [0,2,0,0,0,0|2,0,0]=4 29391 B14R1.774 CCCCCNc1ccc(cc1C)F 7a_100000211637_100000210326 [0,2,0,0,0,0|2,0,0]=4 29392 B14R1.774 CCCCCNc1ccc(cc1C)I 34a_100000184554_100000718602 [0,2,0,0,0,0|2,0,0]=4 29393 B14R1.774 CCCCCNc1ccc(cc1C)I 7a_100000184554_100000210326 [0,2,0,0,0,0|2,0,0]=4 29394 B14R1.774 CCCCCNc1ccc(cc1C)O 34a_100000756630_100000718602 [0,2,0,0,0,0|2,0,0]=4 29395 B14R1.774 CCCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000718602 [0,2,0,0,0,0|2,0,0]=4 29396 B14R1.774 CCCCCNc1ccc(cc1Cl)C 34a_100000210522_100000718602 [0,2,0,0,0,0|2,0,0]=4 29397 B14R1.774 CCCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000718602 [0,2,0,0,0,0|2,0,0]=4 29398 B14R1.774 CCCCCNc1ccc(cc1Cl)F 34a_100000212003_100000718602 [0,2,0,0,0,0|2,0,0]=4 29399 B14R1.774 CCCCCNc1ccc(cc1Cl)I 34a_100011218065_100000718602 [0,2,0,0,0,0|2,0,0]=4 29400 B14R1.774 CCCCCNc1ccc(cc1Cl)O 34a_100011215599_100000718602 [0,2,0,0,0,0|2,0,0]=4 29401 B14R1.774 CCCCCNc1ccc(cc1F)Br 34a_100000210722_100000718602 [0,2,0,0,0,0|2,0,0]=4 29402 B14R1.774 CCCCCNc1ccc(cc1F)C 34a_100000211023_100000718602 [0,2,0,0,0,0|2,0,0]=4 29403 B14R1.774 CCCCCNc1ccc(cc1F)Cl 34a_100000211020_100000718602 [0,2,0,0,0,0|2,0,0]=4 29404 B14R1.774 CCCCCNc1ccc(cc1F)F 34a_100000210720_100000718602 [0,2,0,0,0,0|2,0,0]=4 29405 B14R1.774 CCCCCNc1ccc(cc1F)I 34a_100011215594_100000718602 [0,2,0,0,0,0|2,0,0]=4 29406 B14R1.774 CCCCCNc1ccc(cc1F)O 34a_100000759473_100000718602 [0,2,0,0,0,0|2,0,0]=4 29407 B14R1.774 CCCCCNc1ccc(cc1I)Br 34a_100000187925_100000718602 [0,2,0,0,0,0|2,0,0]=4 29408 B14R1.774 CCCCCNc1ccc(cc1I)C 34a_100011356834_100000718602 [0,2,0,0,0,0|2,0,0]=4 29409 B14R1.774 CCCCCNc1ccc(cc1I)Cl 34a_100000761889_100000718602 [0,2,0,0,0,0|2,0,0]=4 29410 B14R1.774 CCCCCNc1ccc(cc1I)F 34a_100000760547_100000718602 [0,2,0,0,0,0|2,0,0]=4 29411 B14R1.774 CCCCCNc1ccc(cc1I)O 34a_100010084370_100000718602 [0,2,0,0,0,0|2,0,0]=4 29412 B14R1.774 CCCCCNc1ccc(cc1O)Br 34a_100000739049_100000718602 [0,2,0,0,0,0|2,0,0]=4 29413 B14R1.774 CCCCCNc1ccc(cc1O)C 34a_100000211527_100000718602 [0,2,0,0,0,0|2,0,0]=4 29414 B14R1.774 CCCCCNc1ccc(cc1O)Cl 34a_100000185728_100000718602 [0,2,0,0,0,0|2,0,0]=4 29415 B14R1.774 CCCCCNc1ccc(cc1O)F 34a_100000753323_100000718602 [0,2,0,0,0,0|2,0,0]=4 29416 B14R1.774 CCCCCNc1ccc(cc1O)O 34a_100000106777_100000718602 [0,2,0,0,0,0|2,0,0]=4 29417 B14R1.774 CCCCCOc1ccc(cc1Br)Br 34a_100000188717_100000718602 [0,2,0,0,0,0|2,0,0]=4 29418 B14R1.774 CCCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210326 [0,2,0,0,0,0|2,0,0]=4 29419 B14R1.774 CCCCCOc1ccc(cc1Br)C 34a_100000210800_100000718602 [0,2,0,0,0,0|2,0,0]=4 29420 B14R1.774 CCCCCOc1ccc(cc1Br)C 7a_100000210800_100000210326 [0,2,0,0,0,0|2,0,0]=4 29421 B14R1.774 CCCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000718602 [0,2,0,0,0,0|2,0,0]=4 29422 B14R1.774 CCCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210326 [0,2,0,0,0,0|2,0,0]=4 29423 B14R1.774 CCCCCOc1ccc(cc1Br)F 34a_100000211999_100000718602 [0,2,0,0,0,0|2,0,0]=4 29424 B14R1.774 CCCCCOc1ccc(cc1Br)F 7a_100000211999_100000210326 [0,2,0,0,0,0|2,0,0]=4 29425 B14R1.774 CCCCCOc1ccc(cc1Br)I 34a_100012361655_100000718602 [0,2,0,0,0,0|2,0,0]=4 29426 B14R1.774 CCCCCOc1ccc(cc1Br)I 7a_100012361655_100000210326 [0,2,0,0,0,0|2,0,0]=4 29427 B14R1.774 CCCCCOc1ccc(cc1Br)N 34a_100011534360_100000718602 [0,2,0,0,0,0|2,0,0]=4 29428 B14R1.774 CCCCCOc1ccc(cc1Br)N 7a_100011534360_100000210326 [0,2,0,0,0,0|2,0,0]=4 29429 B14R1.774 CCCCCOc1ccc(cc1C)Br 34a_100000186361_100000718602 [0,2,0,0,0,0|2,0,0]=4 29430 B14R1.774 CCCCCOc1ccc(cc1C)Br 7a_100000186361_100000210326 [0,2,0,0,0,0|2,0,0]=4 29431 B14R1.774 CCCCCOc1ccc(cc1C)C 34a_100000211776_100000718602 [0,2,0,0,0,0|2,0,0]=4 29432 B14R1.774 CCCCCOc1ccc(cc1C)C 7a_100000211776_100000210326 [0,2,0,0,0,0|2,0,0]=4 29433 B14R1.774 CCCCCOc1ccc(cc1C)Cl 34a_100000211091_100000718602 [0,2,0,0,0,0|2,0,0]=4 29434 B14R1.774 CCCCCOc1ccc(cc1C)Cl 7a_100000211091_100000210326 [0,2,0,0,0,0|2,0,0]=4 29435 B14R1.774 CCCCCOc1ccc(cc1C)F 34a_100000764316_100000718602 [0,2,0,0,0,0|2,0,0]=4 29436 B14R1.774 CCCCCOc1ccc(cc1C)F 7a_100000764316_100000210326 [0,2,0,0,0,0|2,0,0]=4 29437 B14R1.774 CCCCCOc1ccc(cc1C)I 34a_100011218673_100000718602 [0,2,0,0,0,0|2,0,0]=4 29438 B14R1.774 CCCCCOc1ccc(cc1C)I 7a_100011218673_100000210326 [0,2,0,0,0,0|2,0,0]=4 29439 B14R1.774 CCCCCOc1ccc(cc1C)N 34a_100011218179_100000718602 [0,2,0,0,0,0|2,0,0]=4 29440 B14R1.774 CCCCCOc1ccc(cc1C)N 7a_100011218179_100000210326 [0,2,0,0,0,0|2,0,0]=4 29441 B14R1.774 CCCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000718602 [0,2,0,0,0,0|2,0,0]=4 29442 B14R1.774 CCCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210326 [0,2,0,0,0,0|2,0,0]=4 29443 B14R1.774 CCCCCOc1ccc(cc1Cl)C 34a_100000749699_100000718602 [0,2,0,0,0,0|2,0,0]=4 29444 B14R1.774 CCCCCOc1ccc(cc1Cl)C 7a_100000749699_100000210326 [0,2,0,0,0,0|2,0,0]=4 29445 B14R1.774 CCCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000718602 [0,2,0,0,0,0|2,0,0]=4 29446 B14R1.774 CCCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210326 [0,2,0,0,0,0|2,0,0]=4 29447 B14R1.774 CCCCCOc1ccc(cc1Cl)F 34a_100000212004_100000718602 [0,2,0,0,0,0|2,0,0]=4 29448 B14R1.774 CCCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210326 [0,2,0,0,0,0|2,0,0]=4 29449 B14R1.774 CCCCCOc1ccc(cc1Cl)I 34a_100012360047_100000718602 [0,2,0,0,0,0|2,0,0]=4 29450 B14R1.774 CCCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210326 [0,2,0,0,0,0|2,0,0]=4 29451 B14R1.774 CCCCCOc1ccc(cc1Cl)N 34a_100000744943_100000718602 [0,2,0,0,0,0|2,0,0]=4 29452 B14R1.774 CCCCCOc1ccc(cc1Cl)N 7a_100000744943_100000210326 [0,2,0,0,0,0|2,0,0]=4 29453 B14R1.774 CCCCCOc1ccc(cc1F)Br 34a_100000185481_100000718602 [0,2,0,0,0,0|2,0,0]=4 29454 B14R1.774 CCCCCOc1ccc(cc1F)Br 7a_100000185481_100000210326 [0,2,0,0,0,0|2,0,0]=4 29455 B14R1.774 CCCCCOc1ccc(cc1F)C 34a_100011216688_100000718602 [0,2,0,0,0,0|2,0,0]=4 29456 B14R1.774 CCCCCOc1ccc(cc1F)C 7a_100011216688_100000210326 [0,2,0,0,0,0|2,0,0]=4 29457 B14R1.774 CCCCCOc1ccc(cc1F)Cl 34a_100000230166_100000718602 [0,2,0,0,0,0|2,0,0]=4 29458 B14R1.774 CCCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210326 [0,2,0,0,0,0|2,0,0]=4 29459 B14R1.774 CCCCCOc1ccc(cc1F)F 34a_100000230127_100000718602 [0,2,0,0,0,0|2,0,0]=4 29460 B14R1.774 CCCCCOc1ccc(cc1F)F 7a_100000230127_100000210326 [0,2,0,0,0,0|2,0,0]=4 29461 B14R1.774 CCCCCOc1ccc(cc1F)I 34a_100011356965_100000718602 [0,2,0,0,0,0|2,0,0]=4 29462 B14R1.774 CCCCCOc1ccc(cc1F)I 7a_100011356965_100000210326 [0,2,0,0,0,0|2,0,0]=4 29463 B14R1.774 CCCCCOc1ccc(cc1F)N 34a_100011220035_100000718602 [0,2,0,0,0,0|2,0,0]=4 29464 B14R1.774 CCCCCOc1ccc(cc1F)N 7a_100011220035_100000210326 [0,2,0,0,0,0|2,0,0]=4 29465 B14R1.774 CCCCCOc1ccc(cc1I)Br 34a_100012355227_100000718602 [0,2,0,0,0,0|2,0,0]=4 29466 B14R1.774 CCCCCOc1ccc(cc1I)Br 7a_100012355227_100000210326 [0,2,0,0,0,0|2,0,0]=4 29467 B14R1.774 CCCCCOc1ccc(cc1I)C 34a_100000765521_100000718602 [0,2,0,0,0,0|2,0,0]=4 29468 B14R1.774 CCCCCOc1ccc(cc1I)C 7a_100000765521_100000210326 [0,2,0,0,0,0|2,0,0]=4 29469 B14R1.774 CCCCCOc1ccc(cc1I)Cl 34a_100011356953_100000718602 [0,2,0,0,0,0|2,0,0]=4 29470 B14R1.774 CCCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210326 [0,2,0,0,0,0|2,0,0]=4 29471 B14R1.774 CCCCCOc1ccc(cc1I)F 34a_100012355409_100000718602 [0,2,0,0,0,0|2,0,0]=4 29472 B14R1.774 CCCCCOc1ccc(cc1I)F 7a_100012355409_100000210326 [0,2,0,0,0,0|2,0,0]=4 29473 B14R1.774 CCCCCOc1ccc(cc1I)I 7a_100010001573_100000210326 [0,2,0,0,0,0|2,0,0]=4 29474 B14R1.774 CCCCCOc1ccc(cc1N)Br 34a_100000752626_100000718602 [0,2,0,0,0,0|2,0,0]=4 29475 B14R1.774 CCCCCOc1ccc(cc1N)Br 7a_100000752626_100000210326 [0,2,0,0,0,0|2,0,0]=4 29476 B14R1.774 CCCCCOc1ccc(cc1N)C 34a_100011215204_100000718602 [0,2,0,0,0,0|2,0,0]=4 29477 B14R1.774 CCCCCOc1ccc(cc1N)C 7a_100011215204_100000210326 [0,2,0,0,0,0|2,0,0]=4 29478 B14R1.774 CCCCCOc1ccc(cc1N)Cl 34a_100000210500_100000718602 [0,2,0,0,0,0|2,0,0]=4 29479 B14R1.774 CCCCCOc1ccc(cc1N)Cl 7a_100000210500_100000210326 [0,2,0,0,0,0|2,0,0]=4 29480 B14R1.774 CCCCCOc1ccc(cc1N)F 34a_100000759472_100000718602 [0,2,0,0,0,0|2,0,0]=4 29481 B14R1.774 CCCCCOc1ccc(cc1N)F 7a_100000759472_100000210326 [0,2,0,0,0,0|2,0,0]=4 29482 B14R1.774 CCCCCOc1ccc(cc1N)I 34a_100000753495_100000718602 [0,2,0,0,0,0|2,0,0]=4 29483 B14R1.774 CCCCCOc1ccc(cc1N)I 7a_100000753495_100000210326 [0,2,0,0,0,0|2,0,0]=4 29484 B14R1.774 CCCCCOc1ccc(cc1N)N 34a_100000725306_100000718602 [0,2,0,0,0,0|2,0,0]=4 29485 B14R1.774 CCCCCSc1ccc(cc1Br)Br 62a_100000210326_100011484698 [0,2,0,0,0,0|2,0,0]=4 29486 B14R1.774 CCCCCSc1ccc(cc1Br)Br 62a_100011484698_100000210326 [0,2,0,0,0,0|2,0,0]=4 29487 B14R1.774 CCCCCSc1ccc(cc1Br)C 62a_100000210326_100009813563 [0,2,0,0,0,0|2,0,0]=4 29488 B14R1.774 CCCCCSc1ccc(cc1Br)C 62a_100009813563_100000210326 [0,2,0,0,0,0|2,0,0]=4 29489 B14R1.774 CCCCCSc1ccc(cc1Br)Cl 62a_100000210326_100011219703 [0,2,0,0,0,0|2,0,0]=4 29490 B14R1.774 CCCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210326 [0,2,0,0,0,0|2,0,0]=4 29491 B14R1.774 CCCCCSc1ccc(cc1Br)F 62a_100000210326_100011217111 [0,2,0,0,0,0|2,0,0]=4 29492 B14R1.774 CCCCCSc1ccc(cc1Br)F 62a_100011217111_100000210326 [0,2,0,0,0,0|2,0,0]=4 29493 B14R1.774 CCCCCSc1ccc(cc1Br)N 62a_100000210326_100000750458 [0,2,0,0,0,0|2,0,0]=4 29494 B14R1.774 CCCCCSc1ccc(cc1Br)N 62a_100000750458_100000210326 [0,2,0,0,0,0|2,0,0]=4 29495 B14R1.774 CCCCCSc1ccc(cc1Br)O 62a_100000210326_100000701344 [0,2,0,0,0,0|2,0,0]=4 29496 B14R1.774 CCCCCSc1ccc(cc1Br)O 62a_100000701344_100000210326 [0,2,0,0,0,0|2,0,0]=4 29497 B14R1.774 CCCCCSc1ccc(cc1C)Br 62a_100000210326_100000701812 [0,2,0,0,0,0|2,0,0]=4 29498 B14R1.774 CCCCCSc1ccc(cc1C)Br 62a_100000701812_100000210326 [0,2,0,0,0,0|2,0,0]=4 29499 B14R1.774 CCCCCSc1ccc(cc1C)C 62a_100000210326_100011217332 [0,2,0,0,0,0|2,0,0]=4 29500 B14R1.774 CCCCCSc1ccc(cc1C)C 62a_100011217332_100000210326 [0,2,0,0,0,0|2,0,0]=4 29501 B14R1.774 CCCCCSc1ccc(cc1C)Cl 62a_100000210326_100011219607 [0,2,0,0,0,0|2,0,0]=4 29502 B14R1.774 CCCCCSc1ccc(cc1C)Cl 62a_100011219607_100000210326 [0,2,0,0,0,0|2,0,0]=4 29503 B14R1.774 CCCCCSc1ccc(cc1C)F 62a_100000210326_100011205405 [0,2,0,0,0,0|2,0,0]=4 29504 B14R1.774 CCCCCSc1ccc(cc1C)F 62a_100011205405_100000210326 [0,2,0,0,0,0|2,0,0]=4 29505 B14R1.774 CCCCCSc1ccc(cc1C)N 62a_100000210326_100000210723 [0,2,0,0,0,0|2,0,0]=4 29506 B14R1.774 CCCCCSc1ccc(cc1C)N 62a_100000210723_100000210326 [0,2,0,0,0,0|2,0,0]=4 29507 B14R1.774 CCCCCSc1ccc(cc1C)O 62a_100000210326_100000690111 [0,2,0,0,0,0|2,0,0]=4 29508 B14R1.774 CCCCCSc1ccc(cc1Cl)Br 62a_100000210326_100011216062 [0,2,0,0,0,0|2,0,0]=4 29509 B14R1.774 CCCCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210326 [0,2,0,0,0,0|2,0,0]=4 29510 B14R1.774 CCCCCSc1ccc(cc1Cl)C 62a_100000210326_100011263221 [0,2,0,0,0,0|2,0,0]=4 29511 B14R1.774 CCCCCSc1ccc(cc1Cl)C 62a_100011263221_100000210326 [0,2,0,0,0,0|2,0,0]=4 29512 B14R1.774 CCCCCSc1ccc(cc1Cl)Cl 62a_100000210326_100000699841 [0,2,0,0,0,0|2,0,0]=4 29513 B14R1.774 CCCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210326 [0,2,0,0,0,0|2,0,0]=4 29514 B14R1.774 CCCCCSc1ccc(cc1Cl)F 62a_100000210326_100000733362 [0,2,0,0,0,0|2,0,0]=4 29515 B14R1.774 CCCCCSc1ccc(cc1Cl)F 62a_100000733362_100000210326 [0,2,0,0,0,0|2,0,0]=4 29516 B14R1.774 CCCCCSc1ccc(cc1Cl)N 62a_100000210326_100000761885 [0,2,0,0,0,0|2,0,0]=4 29517 B14R1.774 CCCCCSc1ccc(cc1Cl)N 62a_100000761885_100000210326 [0,2,0,0,0,0|2,0,0]=4 29518 B14R1.774 CCCCCSc1ccc(cc1Cl)O 62a_100000047559_100000210326 [0,2,0,0,0,0|2,0,0]=4 29519 B14R1.774 CCCCCSc1ccc(cc1Cl)O 62a_100000210326_100000047559 [0,2,0,0,0,0|2,0,0]=4 29520 B14R1.774 CCCCCSc1ccc(cc1F)Br 62a_100000210326_100009814013 [0,2,0,0,0,0|2,0,0]=4 29521 B14R1.774 CCCCCSc1ccc(cc1F)Br 62a_100009814013_100000210326 [0,2,0,0,0,0|2,0,0]=4 29522 B14R1.774 CCCCCSc1ccc(cc1F)C 62a_100000210326_100011216119 [0,2,0,0,0,0|2,0,0]=4 29523 B14R1.774 CCCCCSc1ccc(cc1F)C 62a_100011216119_100000210326 [0,2,0,0,0,0|2,0,0]=4 29524 B14R1.774 CCCCCSc1ccc(cc1F)Cl 62a_100000210326_100011216042 [0,2,0,0,0,0|2,0,0]=4 29525 B14R1.774 CCCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210326 [0,2,0,0,0,0|2,0,0]=4 29526 B14R1.774 CCCCCSc1ccc(cc1F)F 62a_100000210326_100000750030 [0,2,0,0,0,0|2,0,0]=4 29527 B14R1.774 CCCCCSc1ccc(cc1F)F 62a_100000750030_100000210326 [0,2,0,0,0,0|2,0,0]=4 29528 B14R1.774 CCCCCSc1ccc(cc1F)N 62a_100000210326_100011356925 [0,2,0,0,0,0|2,0,0]=4 29529 B14R1.774 CCCCCSc1ccc(cc1F)N 62a_100011356925_100000210326 [0,2,0,0,0,0|2,0,0]=4 29530 B14R1.774 CCCCCSc1ccc(cc1F)O 62a_100000210326_100000755031 [0,2,0,0,0,0|2,0,0]=4 29531 B14R1.774 CCCCCSc1ccc(cc1F)O 62a_100000755031_100000210326 [0,2,0,0,0,0|2,0,0]=4 29532 B14R1.774 CCCCCSc1ccc(cc1N)Br 62a_100000210326_100000743836 [0,2,0,0,0,0|2,0,0]=4 29533 B14R1.774 CCCCCSc1ccc(cc1N)Br 62a_100000743836_100000210326 [0,2,0,0,0,0|2,0,0]=4 29534 B14R1.774 CCCCCSc1ccc(cc1N)C 62a_100000210326_100011216686 [0,2,0,0,0,0|2,0,0]=4 29535 B14R1.774 CCCCCSc1ccc(cc1N)C 62a_100011216686_100000210326 [0,2,0,0,0,0|2,0,0]=4 29536 B14R1.774 CCCCCSc1ccc(cc1N)Cl 62a_100000210326_100000761886 [0,2,0,0,0,0|2,0,0]=4 29537 B14R1.774 CCCCCSc1ccc(cc1N)Cl 62a_100000761886_100000210326 [0,2,0,0,0,0|2,0,0]=4 29538 B14R1.774 CCCCCSc1ccc(cc1N)F 62a_100000210326_100000687223 [0,2,0,0,0,0|2,0,0]=4 29539 B14R1.774 CCCCCSc1ccc(cc1N)F 62a_100000687223_100000210326 [0,2,0,0,0,0|2,0,0]=4 29540 B14R1.774 CCCCCSc1ccc(cc1N)N 62a_100000210326_200012175722 [0,2,0,0,0,0|2,0,0]=4 29541 B14R1.774 CCCCCSc1ccc(cc1N)N 62a_200012175722_100000210326 [0,2,0,0,0,0|2,0,0]=4 29542 B14R1.774 CCCCCSc1ccc(cc1N)O 62a_100000210326_100011999798 [0,2,0,0,0,0|2,0,0]=4 29543 B14R1.774 CCCCCSc1ccc(cc1N)O 62a_100011999798_100000210326 [0,2,0,0,0,0|2,0,0]=4 29544 B14R1.774 CCCCCSc1ccc(cc1O)Br 62a_100000210326_100012344904 [0,2,0,0,0,0|2,0,0]=4 29545 B14R1.774 CCCCCSc1ccc(cc1O)Br 62a_100012344904_100000210326 [0,2,0,0,0,0|2,0,0]=4 29546 B14R1.774 CCCCCSc1ccc(cc1O)C 62a_100000210326_100012002257 [0,2,0,0,0,0|2,0,0]=4 29547 B14R1.774 CCCCCSc1ccc(cc1O)C 62a_100012002257_100000210326 [0,2,0,0,0,0|2,0,0]=4 29548 B14R1.774 CCCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210326 [0,2,0,0,0,0|2,0,0]=4 29549 B14R1.774 CCCCCSc1ccc(cc1O)Cl 62a_100000210326_100000050036 [0,2,0,0,0,0|2,0,0]=4 29550 B14R1.774 CCCCCSc1ccc(cc1O)F 62a_100000210326_100000690578 [0,2,0,0,0,0|2,0,0]=4 29551 B14R1.774 CCCCCSc1ccc(cc1O)F 62a_100000690578_100000210326 [0,2,0,0,0,0|2,0,0]=4 29552 B14R1.774 CCCCCSc1ccc(cc1O)O 62a_100000210326_100009813921 [0,2,0,0,0,0|2,0,0]=4 29553 B14R1.774 CCCCNCc1ccc(cc1Br)Br 207a_100000102301_100012351556 [0,2,0,0,0,0|2,0,0]=4 29554 B14R1.774 CCCCNCc1ccc(cc1Br)Br 2230a_100000102301_200012351560 [0,2,0,0,0,0|2,0,0]=4 29555 B14R1.774 CCCCNCc1ccc(cc1Br)Br 270004a_100000102301_100012351556 [0,2,0,0,0,0|2,0,0]=4 29556 B14R1.774 CCCCNCc1ccc(cc1Br)Br 7a_106832991798_200012351560 [0,2,0,0,0,0|2,0,0]=4 29557 B14R1.774 CCCCNCc1ccc(cc1Br)C 207a_100000102301_100000692596 [0,2,0,0,0,0|2,0,0]=4 29558 B14R1.774 CCCCNCc1ccc(cc1Br)C 270004a_100000102301_100000692596 [0,2,0,0,0,0|2,0,0]=4 29559 B14R1.774 CCCCNCc1ccc(cc1Br)Cl 207a_100000102301_100000687667 [0,2,0,0,0,0|2,0,0]=4 29560 B14R1.774 CCCCNCc1ccc(cc1Br)Cl 2230a_100000102301_100000755608 [0,2,0,0,0,0|2,0,0]=4 29561 B14R1.774 CCCCNCc1ccc(cc1Br)Cl 270004a_100000102301_100000687667 [0,2,0,0,0,0|2,0,0]=4 29562 B14R1.774 CCCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000210210 [0,2,0,0,0,0|2,0,0]=4 29563 B14R1.774 CCCCNCc1ccc(cc1Br)Cl 7a_106832991798_100000755608 [0,2,0,0,0,0|2,0,0]=4 29564 B14R1.774 CCCCNCc1ccc(cc1Br)F 207a_100000102301_100000685661 [0,2,0,0,0,0|2,0,0]=4 29565 B14R1.774 CCCCNCc1ccc(cc1Br)F 2230a_100000102301_100000243222 [0,2,0,0,0,0|2,0,0]=4 29566 B14R1.774 CCCCNCc1ccc(cc1Br)F 270004a_100000102301_100000685661 [0,2,0,0,0,0|2,0,0]=4 29567 B14R1.774 CCCCNCc1ccc(cc1Br)F 34a_100000708791_100000210210 [0,2,0,0,0,0|2,0,0]=4 29568 B14R1.774 CCCCNCc1ccc(cc1Br)F 7a_106832991798_100000243222 [0,2,0,0,0,0|2,0,0]=4 29569 B14R1.774 CCCCNCc1ccc(cc1Br)I 207a_100000102301_100010185650 [0,2,0,0,0,0|2,0,0]=4 29570 B14R1.774 CCCCNCc1ccc(cc1Br)I 2230a_100000102301_100010146610 [0,2,0,0,0,0|2,0,0]=4 29571 B14R1.774 CCCCNCc1ccc(cc1Br)I 7a_106832991798_100010146610 [0,2,0,0,0,0|2,0,0]=4 29572 B14R1.774 CCCCNCc1ccc(cc1C)Br 207a_100000102301_100000687586 [0,2,0,0,0,0|2,0,0]=4 29573 B14R1.774 CCCCNCc1ccc(cc1C)Br 2230a_100000102301_100000708836 [0,2,0,0,0,0|2,0,0]=4 29574 B14R1.774 CCCCNCc1ccc(cc1C)Br 270004a_100000102301_100000687586 [0,2,0,0,0,0|2,0,0]=4 29575 B14R1.774 CCCCNCc1ccc(cc1C)Br 34a_100000753881_100000210210 [0,2,0,0,0,0|2,0,0]=4 29576 B14R1.774 CCCCNCc1ccc(cc1C)Br 7a_106832991798_100000708836 [0,2,0,0,0,0|2,0,0]=4 29577 B14R1.774 CCCCNCc1ccc(cc1C)C 207a_100000102301_100000211342 [0,2,0,0,0,0|2,0,0]=4 29578 B14R1.774 CCCCNCc1ccc(cc1C)C 2230a_100000102301_100011219618 [0,2,0,0,0,0|2,0,0]=4 29579 B14R1.774 CCCCNCc1ccc(cc1C)C 270004a_100000102301_100000211342 [0,2,0,0,0,0|2,0,0]=4 29580 B14R1.774 CCCCNCc1ccc(cc1C)C 34a_100000737523_100000210210 [0,2,0,0,0,0|2,0,0]=4 29581 B14R1.774 CCCCNCc1ccc(cc1C)C 7a_106832991798_100011219618 [0,2,0,0,0,0|2,0,0]=4 29582 B14R1.774 CCCCNCc1ccc(cc1C)Cl 207a_100000102301_100000766358 [0,2,0,0,0,0|2,0,0]=4 29583 B14R1.774 CCCCNCc1ccc(cc1C)Cl 2230a_100000102301_100012361307 [0,2,0,0,0,0|2,0,0]=4 29584 B14R1.774 CCCCNCc1ccc(cc1C)Cl 270004a_100000102301_100000766358 [0,2,0,0,0,0|2,0,0]=4 29585 B14R1.774 CCCCNCc1ccc(cc1C)Cl 34a_103436540063_100000210210 [0,2,0,0,0,0|2,0,0]=4 29586 B14R1.774 CCCCNCc1ccc(cc1C)Cl 7a_106832991798_100012361307 [0,2,0,0,0,0|2,0,0]=4 29587 B14R1.774 CCCCNCc1ccc(cc1C)F 207a_100000102301_100000745986 [0,2,0,0,0,0|2,0,0]=4 29588 B14R1.774 CCCCNCc1ccc(cc1C)F 2230a_100000102301_100000700533 [0,2,0,0,0,0|2,0,0]=4 29589 B14R1.774 CCCCNCc1ccc(cc1C)F 270004a_100000102301_100000745986 [0,2,0,0,0,0|2,0,0]=4 29590 B14R1.774 CCCCNCc1ccc(cc1C)F 34a_100137329023_100000210210 [0,2,0,0,0,0|2,0,0]=4 29591 B14R1.774 CCCCNCc1ccc(cc1C)F 7a_106832991798_100000700533 [0,2,0,0,0,0|2,0,0]=4 29592 B14R1.774 CCCCNCc1ccc(cc1Cl)Br 207a_100000102301_100000764164 [0,2,0,0,0,0|2,0,0]=4 29593 B14R1.774 CCCCNCc1ccc(cc1Cl)Br 2230a_100000102301_100011740631 [0,2,0,0,0,0|2,0,0]=4 29594 B14R1.774 CCCCNCc1ccc(cc1Cl)Br 270004a_100000102301_100000764164 [0,2,0,0,0,0|2,0,0]=4 29595 B14R1.774 CCCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000210210 [0,2,0,0,0,0|2,0,0]=4 29596 B14R1.774 CCCCNCc1ccc(cc1Cl)Br 7a_106832991798_100011740631 [0,2,0,0,0,0|2,0,0]=4 29597 B14R1.774 CCCCNCc1ccc(cc1Cl)C 207a_100000102301_100011935181 [0,2,0,0,0,0|2,0,0]=4 29598 B14R1.774 CCCCNCc1ccc(cc1Cl)C 2230a_100000102301_100012349684 [0,2,0,0,0,0|2,0,0]=4 29599 B14R1.774 CCCCNCc1ccc(cc1Cl)C 270004a_100000102301_100011935181 [0,2,0,0,0,0|2,0,0]=4 29600 B14R1.774 CCCCNCc1ccc(cc1Cl)C 34a_100011997539_100000210210 [0,2,0,0,0,0|2,0,0]=4 29601 B14R1.774 CCCCNCc1ccc(cc1Cl)C 7a_106832991798_100012349684 [0,2,0,0,0,0|2,0,0]=4 29602 B14R1.774 CCCCNCc1ccc(cc1Cl)Cl 207a_100000102301_100000188887 [0,2,0,0,0,0|2,0,0]=4 29603 B14R1.774 CCCCNCc1ccc(cc1Cl)Cl 2230a_100000102301_100000188473 [0,2,0,0,0,0|2,0,0]=4 29604 B14R1.774 CCCCNCc1ccc(cc1Cl)Cl 270004a_100000102301_100000188887 [0,2,0,0,0,0|2,0,0]=4 29605 B14R1.774 CCCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000210210 [0,2,0,0,0,0|2,0,0]=4 29606 B14R1.774 CCCCNCc1ccc(cc1Cl)Cl 7a_106832991798_100000188473 [0,2,0,0,0,0|2,0,0]=4 29607 B14R1.774 CCCCNCc1ccc(cc1Cl)F 207a_100000102301_100000752949 [0,2,0,0,0,0|2,0,0]=4 29608 B14R1.774 CCCCNCc1ccc(cc1Cl)F 2230a_100000102301_100011216360 [0,2,0,0,0,0|2,0,0]=4 29609 B14R1.774 CCCCNCc1ccc(cc1Cl)F 270004a_100000102301_100000752949 [0,2,0,0,0,0|2,0,0]=4 29610 B14R1.774 CCCCNCc1ccc(cc1Cl)F 34a_100000174946_100000210210 [0,2,0,0,0,0|2,0,0]=4 29611 B14R1.774 CCCCNCc1ccc(cc1Cl)F 7a_106832991798_100011216360 [0,2,0,0,0,0|2,0,0]=4 29612 B14R1.774 CCCCNCc1ccc(cc1Cl)I 207a_100000102301_100000727542 [0,2,0,0,0,0|2,0,0]=4 29613 B14R1.774 CCCCNCc1ccc(cc1Cl)O 34a_200161156549_100000210210 [0,2,0,0,0,0|2,0,0]=4 29614 B14R1.774 CCCCNCc1ccc(cc1F)Br 207a_100000102301_100000211676 [0,2,0,0,0,0|2,0,0]=4 29615 B14R1.774 CCCCNCc1ccc(cc1F)Br 2230a_100000102301_100000211606 [0,2,0,0,0,0|2,0,0]=4 29616 B14R1.774 CCCCNCc1ccc(cc1F)Br 270004a_100000102301_100000211676 [0,2,0,0,0,0|2,0,0]=4 29617 B14R1.774 CCCCNCc1ccc(cc1F)Br 34a_100000754580_100000210210 [0,2,0,0,0,0|2,0,0]=4 29618 B14R1.774 CCCCNCc1ccc(cc1F)Br 7a_106832991798_100000211606 [0,2,0,0,0,0|2,0,0]=4 29619 B14R1.774 CCCCNCc1ccc(cc1F)C 207a_100000102301_100011217368 [0,2,0,0,0,0|2,0,0]=4 29620 B14R1.774 CCCCNCc1ccc(cc1F)C 2230a_100000102301_100011217900 [0,2,0,0,0,0|2,0,0]=4 29621 B14R1.774 CCCCNCc1ccc(cc1F)C 270004a_100000102301_100011217368 [0,2,0,0,0,0|2,0,0]=4 29622 B14R1.774 CCCCNCc1ccc(cc1F)C 34a_100102887089_100000210210 [0,2,0,0,0,0|2,0,0]=4 29623 B14R1.774 CCCCNCc1ccc(cc1F)C 7a_106832991798_100012002367 [0,2,0,0,0,0|2,0,0]=4 29624 B14R1.774 CCCCNCc1ccc(cc1F)Cl 207a_100000102301_100000697372 [0,2,0,0,0,0|2,0,0]=4 29625 B14R1.774 CCCCNCc1ccc(cc1F)Cl 2230a_100000102301_100000709361 [0,2,0,0,0,0|2,0,0]=4 29626 B14R1.774 CCCCNCc1ccc(cc1F)Cl 270004a_100000102301_100000697372 [0,2,0,0,0,0|2,0,0]=4 29627 B14R1.774 CCCCNCc1ccc(cc1F)Cl 34a_100000708496_100000210210 [0,2,0,0,0,0|2,0,0]=4 29628 B14R1.774 CCCCNCc1ccc(cc1F)Cl 7a_106832991798_100000709361 [0,2,0,0,0,0|2,0,0]=4 29629 B14R1.774 CCCCNCc1ccc(cc1F)F 207a_100000102301_100000211964 [0,2,0,0,0,0|2,0,0]=4 29630 B14R1.774 CCCCNCc1ccc(cc1F)F 2230a_100000102301_100000748237 [0,2,0,0,0,0|2,0,0]=4 29631 B14R1.774 CCCCNCc1ccc(cc1F)F 270004a_100000102301_100000211964 [0,2,0,0,0,0|2,0,0]=4 29632 B14R1.774 CCCCNCc1ccc(cc1F)F 34a_100000737868_100000210210 [0,2,0,0,0,0|2,0,0]=4 29633 B14R1.774 CCCCNCc1ccc(cc1F)F 7a_106832991798_100000748237 [0,2,0,0,0,0|2,0,0]=4 29634 B14R1.774 CCCCNCc1ccc(cc1F)I 207a_100000102301_100000050965 [0,2,0,0,0,0|2,0,0]=4 29635 B14R1.774 CCCCNCc1ccc(cc1F)I 2230a_100000102301_100010244991 [0,2,0,0,0,0|2,0,0]=4 29636 B14R1.774 CCCCNCc1ccc(cc1F)I 7a_106832991798_100010244991 [0,2,0,0,0,0|2,0,0]=4 29637 B14R1.774 CCCCNCc1ccc(cc1I)Br 207a_100000102301_100010146562 [0,2,0,0,0,0|2,0,0]=4 29638 B14R1.774 CCCCNCc1ccc(cc1I)Br 2230a_100000102301_100010146615 [0,2,0,0,0,0|2,0,0]=4 29639 B14R1.774 CCCCNCc1ccc(cc1I)Br 270004a_100000102301_100010146562 [0,2,0,0,0,0|2,0,0]=4 29640 B14R1.774 CCCCNCc1ccc(cc1I)Br 7a_106832991798_100010146615 [0,2,0,0,0,0|2,0,0]=4 29641 B14R1.774 CCCCNCc1ccc(cc1I)C 207a_100000102301_100010150104 [0,2,0,0,0,0|2,0,0]=4 29642 B14R1.774 CCCCNCc1ccc(cc1I)C 270004a_100000102301_100010150104 [0,2,0,0,0,0|2,0,0]=4 29643 B14R1.774 CCCCNCc1ccc(cc1I)Cl 2230a_100000102301_100010254388 [0,2,0,0,0,0|2,0,0]=4 29644 B14R1.774 CCCCNCc1ccc(cc1I)Cl 7a_106832991798_100010254388 [0,2,0,0,0,0|2,0,0]=4 29645 B14R1.774 CCCCNCc1ccc(cc1I)F 207a_100000102301_100010254405 [0,2,0,0,0,0|2,0,0]=4 29646 B14R1.774 CCCCNCc1ccc(cc1I)F 2230a_100000102301_100012354799 [0,2,0,0,0,0|2,0,0]=4 29647 B14R1.774 CCCCNCc1ccc(cc1I)F 7a_106832991798_100012354799 [0,2,0,0,0,0|2,0,0]=4 29648 B14R1.774 CCCCOCc1ccc(cc1Br)Br 34a_100000210227_200012351560 [0,2,0,0,0,0|2,0,0]=4 29649 B14R1.774 CCCCOCc1ccc(cc1Br)Br 34a_100012357508_100000210210 [0,2,0,0,0,0|2,0,0]=4 29650 B14R1.774 CCCCOCc1ccc(cc1Br)Br 7a_100000210227_200012351560 [0,2,0,0,0,0|2,0,0]=4 29651 B14R1.774 CCCCOCc1ccc(cc1Br)Br 7a_100012357508_100000210211 [0,2,0,0,0,0|2,0,0]=4 29652 B14R1.774 CCCCOCc1ccc(cc1Br)Cl 34a_100000210227_100000755608 [0,2,0,0,0,0|2,0,0]=4 29653 B14R1.774 CCCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000210210 [0,2,0,0,0,0|2,0,0]=4 29654 B14R1.774 CCCCOCc1ccc(cc1Br)Cl 7a_100000210227_100000755608 [0,2,0,0,0,0|2,0,0]=4 29655 B14R1.774 CCCCOCc1ccc(cc1Br)Cl 7a_100000707881_100000210211 [0,2,0,0,0,0|2,0,0]=4 29656 B14R1.774 CCCCOCc1ccc(cc1Br)F 34a_100000210227_100000243222 [0,2,0,0,0,0|2,0,0]=4 29657 B14R1.774 CCCCOCc1ccc(cc1Br)F 34a_100000744086_100000210210 [0,2,0,0,0,0|2,0,0]=4 29658 B14R1.774 CCCCOCc1ccc(cc1Br)F 7a_100000210227_100000243222 [0,2,0,0,0,0|2,0,0]=4 29659 B14R1.774 CCCCOCc1ccc(cc1Br)F 7a_100000744086_100000210211 [0,2,0,0,0,0|2,0,0]=4 29660 B14R1.774 CCCCOCc1ccc(cc1Br)I 34a_100000210227_100010146610 [0,2,0,0,0,0|2,0,0]=4 29661 B14R1.774 CCCCOCc1ccc(cc1Br)I 7a_100000210227_100010146610 [0,2,0,0,0,0|2,0,0]=4 29662 B14R1.774 CCCCOCc1ccc(cc1Br)I 7a_100010240206_100000210211 [0,2,0,0,0,0|2,0,0]=4 29663 B14R1.774 CCCCOCc1ccc(cc1C)Br 34a_100000210227_100000708836 [0,2,0,0,0,0|2,0,0]=4 29664 B14R1.774 CCCCOCc1ccc(cc1C)Br 34a_100000748258_100000210210 [0,2,0,0,0,0|2,0,0]=4 29665 B14R1.774 CCCCOCc1ccc(cc1C)Br 7a_100000210227_100000708836 [0,2,0,0,0,0|2,0,0]=4 29666 B14R1.774 CCCCOCc1ccc(cc1C)Br 7a_100000748258_100000210211 [0,2,0,0,0,0|2,0,0]=4 29667 B14R1.774 CCCCOCc1ccc(cc1C)C 34a_100000210227_100011219618 [0,2,0,0,0,0|2,0,0]=4 29668 B14R1.774 CCCCOCc1ccc(cc1C)C 34a_100011215341_100000210210 [0,2,0,0,0,0|2,0,0]=4 29669 B14R1.774 CCCCOCc1ccc(cc1C)C 7a_100000210227_100011219618 [0,2,0,0,0,0|2,0,0]=4 29670 B14R1.774 CCCCOCc1ccc(cc1C)C 7a_100011215341_100000210211 [0,2,0,0,0,0|2,0,0]=4 29671 B14R1.774 CCCCOCc1ccc(cc1C)Cl 34a_100000210227_100012361307 [0,2,0,0,0,0|2,0,0]=4 29672 B14R1.774 CCCCOCc1ccc(cc1C)Cl 34a_100000702939_100000210210 [0,2,0,0,0,0|2,0,0]=4 29673 B14R1.774 CCCCOCc1ccc(cc1C)Cl 7a_100000210227_100012361307 [0,2,0,0,0,0|2,0,0]=4 29674 B14R1.774 CCCCOCc1ccc(cc1C)Cl 7a_100000702939_100000210211 [0,2,0,0,0,0|2,0,0]=4 29675 B14R1.774 CCCCOCc1ccc(cc1C)F 34a_100000210227_100000700533 [0,2,0,0,0,0|2,0,0]=4 29676 B14R1.774 CCCCOCc1ccc(cc1C)F 34a_100000700136_100000210210 [0,2,0,0,0,0|2,0,0]=4 29677 B14R1.774 CCCCOCc1ccc(cc1C)F 7a_100000210227_100000700533 [0,2,0,0,0,0|2,0,0]=4 29678 B14R1.774 CCCCOCc1ccc(cc1C)F 7a_100000700136_100000210211 [0,2,0,0,0,0|2,0,0]=4 29679 B14R1.774 CCCCOCc1ccc(cc1C)N 34a_100000102464_100000210210 [0,2,0,0,0,0|2,0,0]=4 29680 B14R1.774 CCCCOCc1ccc(cc1C)N 7a_100000102464_100000210211 [0,2,0,0,0,0|2,0,0]=4 29681 B14R1.774 CCCCOCc1ccc(cc1Cl)Br 34a_100000210227_100011740631 [0,2,0,0,0,0|2,0,0]=4 29682 B14R1.774 CCCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000210210 [0,2,0,0,0,0|2,0,0]=4 29683 B14R1.774 CCCCOCc1ccc(cc1Cl)Br 7a_100000210227_100011740631 [0,2,0,0,0,0|2,0,0]=4 29684 B14R1.774 CCCCOCc1ccc(cc1Cl)Br 7a_100000756401_100000210211 [0,2,0,0,0,0|2,0,0]=4 29685 B14R1.774 CCCCOCc1ccc(cc1Cl)C 34a_100000210227_100012349684 [0,2,0,0,0,0|2,0,0]=4 29686 B14R1.774 CCCCOCc1ccc(cc1Cl)C 34a_100000720314_100000210210 [0,2,0,0,0,0|2,0,0]=4 29687 B14R1.774 CCCCOCc1ccc(cc1Cl)C 7a_100000210227_100012349684 [0,2,0,0,0,0|2,0,0]=4 29688 B14R1.774 CCCCOCc1ccc(cc1Cl)C 7a_100000720314_100000210211 [0,2,0,0,0,0|2,0,0]=4 29689 B14R1.774 CCCCOCc1ccc(cc1Cl)Cl 34a_100000210227_100000188473 [0,2,0,0,0,0|2,0,0]=4 29690 B14R1.774 CCCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000210210 [0,2,0,0,0,0|2,0,0]=4 29691 B14R1.774 CCCCOCc1ccc(cc1Cl)Cl 7a_100000210227_100000188473 [0,2,0,0,0,0|2,0,0]=4 29692 B14R1.774 CCCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100000210211 [0,2,0,0,0,0|2,0,0]=4 29693 B14R1.774 CCCCOCc1ccc(cc1Cl)F 34a_100000210227_100011216360 [0,2,0,0,0,0|2,0,0]=4 29694 B14R1.774 CCCCOCc1ccc(cc1Cl)F 34a_100011219954_100000210210 [0,2,0,0,0,0|2,0,0]=4 29695 B14R1.774 CCCCOCc1ccc(cc1Cl)F 7a_100000210227_100011216360 [0,2,0,0,0,0|2,0,0]=4 29696 B14R1.774 CCCCOCc1ccc(cc1Cl)F 7a_100011219954_100000210211 [0,2,0,0,0,0|2,0,0]=4 29697 B14R1.774 CCCCOCc1ccc(cc1Cl)N 34a_100000689119_100000210210 [0,2,0,0,0,0|2,0,0]=4 29698 B14R1.774 CCCCOCc1ccc(cc1F)Br 34a_100000210227_100000211606 [0,2,0,0,0,0|2,0,0]=4 29699 B14R1.774 CCCCOCc1ccc(cc1F)Br 34a_100011191541_100000210210 [0,2,0,0,0,0|2,0,0]=4 29700 B14R1.774 CCCCOCc1ccc(cc1F)Br 7a_100000210227_100000211606 [0,2,0,0,0,0|2,0,0]=4 29701 B14R1.774 CCCCOCc1ccc(cc1F)Br 7a_100011191541_100000210211 [0,2,0,0,0,0|2,0,0]=4 29702 B14R1.774 CCCCOCc1ccc(cc1F)C 34a_100000210227_100012002367 [0,2,0,0,0,0|2,0,0]=4 29703 B14R1.774 CCCCOCc1ccc(cc1F)C 34a_100011216587_100000210210 [0,2,0,0,0,0|2,0,0]=4 29704 B14R1.774 CCCCOCc1ccc(cc1F)C 7a_100000210227_100012002367 [0,2,0,0,0,0|2,0,0]=4 29705 B14R1.774 CCCCOCc1ccc(cc1F)C 7a_100011216587_100000210211 [0,2,0,0,0,0|2,0,0]=4 29706 B14R1.774 CCCCOCc1ccc(cc1F)Cl 34a_100000210227_100000709361 [0,2,0,0,0,0|2,0,0]=4 29707 B14R1.774 CCCCOCc1ccc(cc1F)Cl 34a_100011217562_100000210210 [0,2,0,0,0,0|2,0,0]=4 29708 B14R1.774 CCCCOCc1ccc(cc1F)Cl 7a_100000210227_100000709361 [0,2,0,0,0,0|2,0,0]=4 29709 B14R1.774 CCCCOCc1ccc(cc1F)Cl 7a_100011217562_100000210211 [0,2,0,0,0,0|2,0,0]=4 29710 B14R1.774 CCCCOCc1ccc(cc1F)F 34a_100000210227_100000748237 [0,2,0,0,0,0|2,0,0]=4 29711 B14R1.774 CCCCOCc1ccc(cc1F)F 34a_100011215441_100000210210 [0,2,0,0,0,0|2,0,0]=4 29712 B14R1.774 CCCCOCc1ccc(cc1F)F 7a_100000210227_100000748237 [0,2,0,0,0,0|2,0,0]=4 29713 B14R1.774 CCCCOCc1ccc(cc1F)F 7a_100011215441_100000210211 [0,2,0,0,0,0|2,0,0]=4 29714 B14R1.774 CCCCOCc1ccc(cc1F)I 34a_100000210227_100010244991 [0,2,0,0,0,0|2,0,0]=4 29715 B14R1.774 CCCCOCc1ccc(cc1F)I 34a_200010202041_100000210210 [0,2,0,0,0,0|2,0,0]=4 29716 B14R1.774 CCCCOCc1ccc(cc1F)I 7a_100000210227_100010244991 [0,2,0,0,0,0|2,0,0]=4 29717 B14R1.774 CCCCOCc1ccc(cc1F)I 7a_200010202041_100000210211 [0,2,0,0,0,0|2,0,0]=4 29718 B14R1.774 CCCCOCc1ccc(cc1I)Br 34a_100000210227_100010146615 [0,2,0,0,0,0|2,0,0]=4 29719 B14R1.774 CCCCOCc1ccc(cc1I)Br 7a_100000210227_100010146615 [0,2,0,0,0,0|2,0,0]=4 29720 B14R1.774 CCCCOCc1ccc(cc1I)Br 7a_100010146605_100000210211 [0,2,0,0,0,0|2,0,0]=4 29721 B14R1.774 CCCCOCc1ccc(cc1I)Cl 34a_100000210227_100010254388 [0,2,0,0,0,0|2,0,0]=4 29722 B14R1.774 CCCCOCc1ccc(cc1I)Cl 34a_100000722340_100000210210 [0,2,0,0,0,0|2,0,0]=4 29723 B14R1.774 CCCCOCc1ccc(cc1I)Cl 7a_100000210227_100010254388 [0,2,0,0,0,0|2,0,0]=4 29724 B14R1.774 CCCCOCc1ccc(cc1I)Cl 7a_100000722340_100000210211 [0,2,0,0,0,0|2,0,0]=4 29725 B14R1.774 CCCCOCc1ccc(cc1I)F 34a_100000210227_100012354799 [0,2,0,0,0,0|2,0,0]=4 29726 B14R1.774 CCCCOCc1ccc(cc1I)F 34a_100011356828_100000210210 [0,2,0,0,0,0|2,0,0]=4 29727 B14R1.774 CCCCOCc1ccc(cc1I)F 7a_100000210227_100012354799 [0,2,0,0,0,0|2,0,0]=4 29728 B14R1.774 CCCCOCc1ccc(cc1I)F 7a_100011356828_100000210211 [0,2,0,0,0,0|2,0,0]=4 29729 B14R1.774 CCCCOCc1ccc(cc1N)Br 34a_100000718831_100000210210 [0,2,0,0,0,0|2,0,0]=4 29730 B14R1.774 CCCCOCc1ccc(cc1N)Br 7a_100000718831_100000210211 [0,2,0,0,0,0|2,0,0]=4 29731 B14R1.774 CCCCOCc1ccc(cc1N)C 34a_100000087799_100000210210 [0,2,0,0,0,0|2,0,0]=4 29732 B14R1.774 CCCCOCc1ccc(cc1N)C 7a_100000087799_100000210211 [0,2,0,0,0,0|2,0,0]=4 29733 B14R1.774 CCCCOCc1ccc(cc1N)Cl 34a_100000238622_100000210210 [0,2,0,0,0,0|2,0,0]=4 29734 B14R1.774 CCCCOCc1ccc(cc1N)Cl 7a_100000238622_100000210211 [0,2,0,0,0,0|2,0,0]=4 29735 B14R1.774 CCCCOCc1ccc(cc1N)F 34a_100011996588_100000210210 [0,2,0,0,0,0|2,0,0]=4 29736 B14R1.774 CCCCSCc1ccc(cc1Br)Br 62a_100000210211_200012351560 [0,2,0,0,0,0|2,0,0]=4 29737 B14R1.774 CCCCSCc1ccc(cc1Br)Br 62a_200012351560_100000210210 [0,2,0,0,0,0|2,0,0]=4 29738 B14R1.774 CCCCSCc1ccc(cc1Br)Cl 62a_100000210211_100000755608 [0,2,0,0,0,0|2,0,0]=4 29739 B14R1.774 CCCCSCc1ccc(cc1Br)Cl 62a_100000755608_100000210210 [0,2,0,0,0,0|2,0,0]=4 29740 B14R1.774 CCCCSCc1ccc(cc1Br)F 62a_100000210211_100000243222 [0,2,0,0,0,0|2,0,0]=4 29741 B14R1.774 CCCCSCc1ccc(cc1Br)F 62a_100000243222_100000210210 [0,2,0,0,0,0|2,0,0]=4 29742 B14R1.774 CCCCSCc1ccc(cc1Br)I 62a_100000210211_100010146610 [0,2,0,0,0,0|2,0,0]=4 29743 B14R1.774 CCCCSCc1ccc(cc1Br)I 62a_100010146610_100000210210 [0,2,0,0,0,0|2,0,0]=4 29744 B14R1.774 CCCCSCc1ccc(cc1C)Br 62a_100000210211_100000708836 [0,2,0,0,0,0|2,0,0]=4 29745 B14R1.774 CCCCSCc1ccc(cc1C)Br 62a_100000708836_100000210210 [0,2,0,0,0,0|2,0,0]=4 29746 B14R1.774 CCCCSCc1ccc(cc1C)C 62a_100000210211_100011219618 [0,2,0,0,0,0|2,0,0]=4 29747 B14R1.774 CCCCSCc1ccc(cc1C)C 62a_100011219618_100000210210 [0,2,0,0,0,0|2,0,0]=4 29748 B14R1.774 CCCCSCc1ccc(cc1C)Cl 62a_100000210211_100012361307 [0,2,0,0,0,0|2,0,0]=4 29749 B14R1.774 CCCCSCc1ccc(cc1C)Cl 62a_100012361307_100000210210 [0,2,0,0,0,0|2,0,0]=4 29750 B14R1.774 CCCCSCc1ccc(cc1C)F 62a_100000210211_100000700533 [0,2,0,0,0,0|2,0,0]=4 29751 B14R1.774 CCCCSCc1ccc(cc1C)F 62a_100000700533_100000210210 [0,2,0,0,0,0|2,0,0]=4 29752 B14R1.774 CCCCSCc1ccc(cc1Cl)Br 62a_100000210211_100011740631 [0,2,0,0,0,0|2,0,0]=4 29753 B14R1.774 CCCCSCc1ccc(cc1Cl)Br 62a_100011740631_100000210210 [0,2,0,0,0,0|2,0,0]=4 29754 B14R1.774 CCCCSCc1ccc(cc1Cl)C 62a_100000210211_100012349684 [0,2,0,0,0,0|2,0,0]=4 29755 B14R1.774 CCCCSCc1ccc(cc1Cl)C 62a_100012349684_100000210210 [0,2,0,0,0,0|2,0,0]=4 29756 B14R1.774 CCCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100000210210 [0,2,0,0,0,0|2,0,0]=4 29757 B14R1.774 CCCCSCc1ccc(cc1Cl)Cl 62a_100000210211_100000188473 [0,2,0,0,0,0|2,0,0]=4 29758 B14R1.774 CCCCSCc1ccc(cc1Cl)F 62a_100000187853_100000210210 [0,2,0,0,0,0|2,0,0]=4 29759 B14R1.774 CCCCSCc1ccc(cc1Cl)F 62a_100000210211_100000187853 [0,2,0,0,0,0|2,0,0]=4 29760 B14R1.774 CCCCSCc1ccc(cc1F)Br 62a_100000210211_100000211606 [0,2,0,0,0,0|2,0,0]=4 29761 B14R1.774 CCCCSCc1ccc(cc1F)Br 62a_100000211606_100000210210 [0,2,0,0,0,0|2,0,0]=4 29762 B14R1.774 CCCCSCc1ccc(cc1F)C 62a_100000210211_100011217900 [0,2,0,0,0,0|2,0,0]=4 29763 B14R1.774 CCCCSCc1ccc(cc1F)C 62a_100011217900_100000210210 [0,2,0,0,0,0|2,0,0]=4 29764 B14R1.774 CCCCSCc1ccc(cc1F)Cl 62a_100000210211_100000709361 [0,2,0,0,0,0|2,0,0]=4 29765 B14R1.774 CCCCSCc1ccc(cc1F)Cl 62a_100000709361_100000210210 [0,2,0,0,0,0|2,0,0]=4 29766 B14R1.774 CCCCSCc1ccc(cc1F)F 62a_100000210211_100000748237 [0,2,0,0,0,0|2,0,0]=4 29767 B14R1.774 CCCCSCc1ccc(cc1F)F 62a_100000748237_100000210210 [0,2,0,0,0,0|2,0,0]=4 29768 B14R1.774 CCCCSCc1ccc(cc1F)I 62a_100000210211_100010244991 [0,2,0,0,0,0|2,0,0]=4 29769 B14R1.774 CCCCSCc1ccc(cc1F)I 62a_100010244991_100000210210 [0,2,0,0,0,0|2,0,0]=4 29770 B14R1.774 CCCCSCc1ccc(cc1I)Br 62a_100000210211_100010146615 [0,2,0,0,0,0|2,0,0]=4 29771 B14R1.774 CCCCSCc1ccc(cc1I)Br 62a_100010146615_100000210210 [0,2,0,0,0,0|2,0,0]=4 29772 B14R1.774 CCCCSCc1ccc(cc1I)Cl 62a_100000210211_100010254388 [0,2,0,0,0,0|2,0,0]=4 29773 B14R1.774 CCCCSCc1ccc(cc1I)Cl 62a_100010254388_100000210210 [0,2,0,0,0,0|2,0,0]=4 29774 B14R1.774 CCCCSCc1ccc(cc1I)F 62a_100000210211_100012354799 [0,2,0,0,0,0|2,0,0]=4 29775 B14R1.774 CCCCSCc1ccc(cc1I)F 62a_100012354799_100000210210 [0,2,0,0,0,0|2,0,0]=4 29776 B14R1.774 CCCNCCc1ccc(cc1C)C 2230a_100000745621_100000210303 [0,2,0,0,0,0|2,0,0]=4 29777 B14R1.774 CCCNCCc1ccc(cc1C)C 270004a_100020643023_100011754701 [0,2,0,0,0,0|2,0,0]=4 29778 B14R1.774 CCCNCCc1ccc(cc1C)C 34a_100000745621_100000210303 [0,2,0,0,0,0|2,0,0]=4 29779 B14R1.774 CCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000210303 [0,2,0,0,0,0|2,0,0]=4 29780 B14R1.774 CCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000210303 [0,2,0,0,0,0|2,0,0]=4 29781 B14R1.774 CCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000210303 [0,2,0,0,0,0|2,0,0]=4 29782 B14R1.774 CCCNCCc1ccc(cc1F)Cl 34a_103496529009_100000210303 [0,2,0,0,0,0|2,0,0]=4 29783 B14R1.774 CCCNCCc1ccc(cc1F)F 2230a_100000754870_100000210303 [0,2,0,0,0,0|2,0,0]=4 29784 B14R1.774 CCCNCCc1ccc(cc1F)F 34a_100000754870_100000210303 [0,2,0,0,0,0|2,0,0]=4 29785 B14R1.774 CCCOCCc1ccc(cc1Br)Cl 34a_100000210258_200012945151 [0,2,0,0,0,0|2,0,0]=4 29786 B14R1.774 CCCOCCc1ccc(cc1Cl)Br 34a_100013445822_100000210303 [0,2,0,0,0,0|2,0,0]=4 29787 B14R1.774 CCCOCCc1ccc(cc1Cl)Br 7a_100013445822_100000210303 [0,2,0,0,0,0|2,0,0]=4 29788 B14R1.774 CCCOCCc1ccc(cc1Cl)Cl 34a_100000210258_200012161198 [0,2,0,0,0,0|2,0,0]=4 29789 B14R1.774 CCCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000210303 [0,2,0,0,0,0|2,0,0]=4 29790 B14R1.774 CCCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000210303 [0,2,0,0,0,0|2,0,0]=4 29791 B14R1.774 CCCOCCc1ccc(cc1Cl)F 34a_100011962860_100000210303 [0,2,0,0,0,0|2,0,0]=4 29792 B14R1.774 CCCOCCc1ccc(cc1Cl)F 7a_100011962860_100000210303 [0,2,0,0,0,0|2,0,0]=4 29793 B14R1.774 CCCOCCc1ccc(cc1F)Br 34a_100011962869_100000210303 [0,2,0,0,0,0|2,0,0]=4 29794 B14R1.774 CCCOCCc1ccc(cc1F)Br 7a_100011962869_100000210303 [0,2,0,0,0,0|2,0,0]=4 29795 B14R1.774 CCCOCCc1ccc(cc1F)F 34a_100000697962_100000210303 [0,2,0,0,0,0|2,0,0]=4 29796 B14R1.774 CCCOCCc1ccc(cc1F)F 7a_100000697962_100000210303 [0,2,0,0,0,0|2,0,0]=4 29797 B14R1.774 CCCSCCc1ccc(cc1Br)Cl 62a_100000210303_200012945151 [0,2,0,0,0,0|2,0,0]=4 29798 B14R1.774 CCCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000210303 [0,2,0,0,0,0|2,0,0]=4 29799 B14R1.774 CCCSCCc1ccc(cc1Cl)Cl 62a_100000210303_200012161198 [0,2,0,0,0,0|2,0,0]=4 29800 B14R1.774 CCCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000210303 [0,2,0,0,0,0|2,0,0]=4 29801 B14R1.774 CCNCCCc1ccc(cc1Cl)Cl 270004a_100015525214_100000765304 [0,2,0,0,0,0|2,0,0]=4 29802 B14R1.774 CCOCCCc1ccc(cc1Cl)Cl 34a_200011713141_100000210202 [0,2,0,0,0,0|2,0,0]=4 29803 B14R1.774 CCOCCCc1ccc(cc1Cl)Cl 7a_200011713141_100000210202 [0,2,0,0,0,0|2,0,0]=4 29804 B14R1.774 Cc1c[n+](ccc1SCCCCO)[O-] 62a_100000210776_100000074940 [0,2,0,0,0,0|2,0,0]=4 29805 B14R1.774 Cc1cc(=O)c(co1)OCCCCO 34a_100000081520_100011216708 [0,2,0,0,0,0|2,0,0]=4 29806 B14R1.774 Cc1cc(c(cn1)CNCCCO)C 207a_100000182051_200009869383 [0,2,0,0,0,0|2,0,0]=4 29807 B14R1.774 Cc1cc(c(cn1)CNCCCO)C 270004a_100000182051_200009869383 [0,2,0,0,0,0|2,0,0]=4 29808 B14R1.774 Cc1cc(c(cn1)COCCCO)N 34a_200012022818_100000230001 [0,2,0,0,0,0|2,0,0]=4 29809 B14R1.774 Cc1cc(c(cn1)OCCCCO)Br 34a_100009843476_100011216708 [0,2,0,0,0,0|2,0,0]=4 29810 B14R1.774 Cc1cc(c(cn1)OCCCCO)Br 7a_100009843476_100000210776 [0,2,0,0,0,0|2,0,0]=4 29811 B14R1.774 Cc1cc(c(cn1)OCCCCO)C 34a_200000068632_100011216708 [0,2,0,0,0,0|2,0,0]=4 29812 B14R1.774 Cc1cc(c(cn1)OCCCCO)C 7a_200000068632_100000210776 [0,2,0,0,0,0|2,0,0]=4 29813 B14R1.774 Cc1cc(c(cn1)SCCCCO)C 62a_100000210776_100009819613 [0,2,0,0,0,0|2,0,0]=4 29814 B14R1.774 Cc1cc(c(cn1)SCCCCO)C 62a_100009819613_100000210776 [0,2,0,0,0,0|2,0,0]=4 29815 B14R1.774 Cc1cc(c(cn1)SCCCCO)N 62a_100000210776_100009817891 [0,2,0,0,0,0|2,0,0]=4 29816 B14R1.774 Cc1cc(c(cn1)SCCCCO)N 62a_100009817891_100000210776 [0,2,0,0,0,0|2,0,0]=4 29817 B14R1.774 Cc1cc(c(cn1)SCCCCO)O 62a_100000210776_100011016184 [0,2,0,0,0,0|2,0,0]=4 29818 B14R1.774 Cc1cc(c(cn1)SCCCCO)O 62a_100011016184_100000210776 [0,2,0,0,0,0|2,0,0]=4 29819 B14R1.774 Cc1cc(ccc1CNCCCF)Br 207a_100015189416_100000687586 [0,2,0,0,0,0|2,0,0]=4 29820 B14R1.774 Cc1cc(ccc1CNCCCF)Br 2230a_100015189416_100000708836 [0,2,0,0,0,0|2,0,0]=4 29821 B14R1.774 Cc1cc(ccc1CNCCCF)Br 270004a_100015189416_100000687586 [0,2,0,0,0,0|2,0,0]=4 29822 B14R1.774 Cc1cc(ccc1CNCCCF)Br 34a_100000753881_100011934791 [0,2,0,0,0,0|2,0,0]=4 29823 B14R1.774 Cc1cc(ccc1CNCCCF)Br 34a_100015189416_100000708836 [0,2,0,0,0,0|2,0,0]=4 29824 B14R1.774 Cc1cc(ccc1CNCCCF)Cl 207a_100015189416_100000766358 [0,2,0,0,0,0|2,0,0]=4 29825 B14R1.774 Cc1cc(ccc1CNCCCF)Cl 2230a_100015189416_100012361307 [0,2,0,0,0,0|2,0,0]=4 29826 B14R1.774 Cc1cc(ccc1CNCCCF)Cl 270004a_100015189416_100000766358 [0,2,0,0,0,0|2,0,0]=4 29827 B14R1.774 Cc1cc(ccc1CNCCCF)Cl 34a_100015189416_100012361307 [0,2,0,0,0,0|2,0,0]=4 29828 B14R1.774 Cc1cc(ccc1CNCCCF)Cl 34a_103436540063_100011934791 [0,2,0,0,0,0|2,0,0]=4 29829 B14R1.774 Cc1cc(ccc1CNCCCF)F 207a_100015189416_100000745986 [0,2,0,0,0,0|2,0,0]=4 29830 B14R1.774 Cc1cc(ccc1CNCCCF)F 2230a_100015189416_100000700533 [0,2,0,0,0,0|2,0,0]=4 29831 B14R1.774 Cc1cc(ccc1CNCCCF)F 270004a_100015189416_100000745986 [0,2,0,0,0,0|2,0,0]=4 29832 B14R1.774 Cc1cc(ccc1CNCCCF)F 34a_100015189416_100000700533 [0,2,0,0,0,0|2,0,0]=4 29833 B14R1.774 Cc1cc(ccc1CNCCCF)F 34a_100137329023_100011934791 [0,2,0,0,0,0|2,0,0]=4 29834 B14R1.774 Cc1cc(ccc1CNCCCO)Br 207a_100000182051_100000687586 [0,2,0,0,0,0|1,0,0]=3 29835 B14R1.774 Cc1cc(ccc1CNCCCO)Br 270004a_100000182051_100000687586 [0,2,0,0,0,0|1,0,0]=3 29836 B14R1.774 Cc1cc(ccc1CNCCCO)Br 34a_100000753881_100000230001 [0,2,0,0,0,0|1,0,0]=3 29837 B14R1.774 Cc1cc(ccc1CNCCCO)Cl 207a_100000182051_100000766358 [0,2,0,0,0,0|1,0,0]=3 29838 B14R1.774 Cc1cc(ccc1CNCCCO)Cl 270004a_100000182051_100000766358 [0,2,0,0,0,0|1,0,0]=3 29839 B14R1.774 Cc1cc(ccc1CNCCCO)Cl 34a_103436540063_100000230001 [0,2,0,0,0,0|1,0,0]=3 29840 B14R1.774 Cc1cc(ccc1CNCCCO)F 207a_100000182051_100000745986 [0,2,0,0,0,0|1,0,0]=3 29841 B14R1.774 Cc1cc(ccc1CNCCCO)F 270004a_100000182051_100000745986 [0,2,0,0,0,0|1,0,0]=3 29842 B14R1.774 Cc1cc(ccc1CNCCCO)F 34a_100137329023_100000230001 [0,2,0,0,0,0|1,0,0]=3 29843 B14R1.774 Cc1cc(ccc1COCCCBr)Br 34a_100011217188_100000708836 [0,2,0,0,0,0|2,0,0]=4 29844 B14R1.774 Cc1cc(ccc1COCCCBr)Cl 34a_100011217188_100012361307 [0,2,0,0,0,0|2,0,0]=4 29845 B14R1.774 Cc1cc(ccc1COCCCBr)F 34a_100011217188_100000700533 [0,2,0,0,0,0|2,0,0]=4 29846 B14R1.774 Cc1cc(ccc1COCCCCl)Br 34a_100000230001_100000708836 [0,2,0,0,0,0|2,0,0]=4 29847 B14R1.774 Cc1cc(ccc1COCCCCl)Cl 34a_100000230001_100012361307 [0,2,0,0,0,0|2,0,0]=4 29848 B14R1.774 Cc1cc(ccc1COCCCCl)F 34a_100000230001_100000700533 [0,2,0,0,0,0|2,0,0]=4 29849 B14R1.774 Cc1cc(ccc1COCCCF)Br 34a_100000748258_100011934791 [0,2,0,0,0,0|2,0,0]=4 29850 B14R1.774 Cc1cc(ccc1COCCCF)Br 34a_100000759539_100000708836 [0,2,0,0,0,0|2,0,0]=4 29851 B14R1.774 Cc1cc(ccc1COCCCF)Br 7a_100000748258_100011934791 [0,2,0,0,0,0|2,0,0]=4 29852 B14R1.774 Cc1cc(ccc1COCCCF)Cl 34a_100000702939_100011934791 [0,2,0,0,0,0|2,0,0]=4 29853 B14R1.774 Cc1cc(ccc1COCCCF)Cl 34a_100000759539_100012361307 [0,2,0,0,0,0|2,0,0]=4 29854 B14R1.774 Cc1cc(ccc1COCCCF)Cl 7a_100000702939_100011934791 [0,2,0,0,0,0|2,0,0]=4 29855 B14R1.774 Cc1cc(ccc1COCCCF)F 34a_100000700136_100011934791 [0,2,0,0,0,0|2,0,0]=4 29856 B14R1.774 Cc1cc(ccc1COCCCF)F 34a_100000759539_100000700533 [0,2,0,0,0,0|2,0,0]=4 29857 B14R1.774 Cc1cc(ccc1COCCCF)F 7a_100000700136_100011934791 [0,2,0,0,0,0|2,0,0]=4 29858 B14R1.774 Cc1cc(ccc1COCCCF)N 34a_100000102464_100011934791 [0,2,0,0,0,0|2,0,0]=4 29859 B14R1.774 Cc1cc(ccc1COCCCF)N 7a_100000102464_100011934791 [0,2,0,0,0,0|2,0,0]=4 29860 B14R1.774 Cc1cc(ccc1COCCCN)Br 34a_100000182051_100000708836 [0,2,0,0,0,0|2,0,0]=4 29861 B14R1.774 Cc1cc(ccc1COCCCN)Cl 34a_100000182051_100012361307 [0,2,0,0,0,0|2,0,0]=4 29862 B14R1.774 Cc1cc(ccc1COCCCN)F 34a_100000182051_100000700533 [0,2,0,0,0,0|2,0,0]=4 29863 B14R1.774 Cc1cc(ccc1COCCCO)Br 34a_100000748258_100000230001 [0,2,0,0,0,0|1,0,0]=3 29864 B14R1.774 Cc1cc(ccc1COCCCO)Br 7a_100000748258_100011215043 [0,2,0,0,0,0|1,0,0]=3 29865 B14R1.774 Cc1cc(ccc1COCCCO)Cl 34a_100000702939_100000230001 [0,2,0,0,0,0|1,0,0]=3 29866 B14R1.774 Cc1cc(ccc1COCCCO)Cl 7a_100000702939_100011215043 [0,2,0,0,0,0|1,0,0]=3 29867 B14R1.774 Cc1cc(ccc1COCCCO)F 34a_100000700136_100000230001 [0,2,0,0,0,0|1,0,0]=3 29868 B14R1.774 Cc1cc(ccc1COCCCO)F 7a_100000700136_100011215043 [0,2,0,0,0,0|1,0,0]=3 29869 B14R1.774 Cc1cc(ccc1COCCCO)N 34a_100000102464_100000230001 [0,2,0,0,0,0|1,0,0]=3 29870 B14R1.774 Cc1cc(ccc1COCCCO)N 7a_100000102464_100011215043 [0,2,0,0,0,0|1,0,0]=3 29871 B14R1.774 Cc1cc(ccc1CSCCCF)Br 62a_100000708836_100011934791 [0,2,0,0,0,0|2,0,0]=4 29872 B14R1.774 Cc1cc(ccc1CSCCCF)Br 62a_100011934791_100000708836 [0,2,0,0,0,0|2,0,0]=4 29873 B14R1.774 Cc1cc(ccc1CSCCCF)Cl 62a_100011934791_100012361307 [0,2,0,0,0,0|2,0,0]=4 29874 B14R1.774 Cc1cc(ccc1CSCCCF)Cl 62a_100012361307_100011934791 [0,2,0,0,0,0|2,0,0]=4 29875 B14R1.774 Cc1cc(ccc1CSCCCF)F 62a_100000700533_100011934791 [0,2,0,0,0,0|2,0,0]=4 29876 B14R1.774 Cc1cc(ccc1CSCCCF)F 62a_100011934791_100000700533 [0,2,0,0,0,0|2,0,0]=4 29877 B14R1.774 Cc1cc(ccc1CSCCCO)Br 62a_100000708836_100011215043 [0,2,0,0,0,0|1,0,0]=3 29878 B14R1.774 Cc1cc(ccc1CSCCCO)Br 62a_100011215043_100000708836 [0,2,0,0,0,0|1,0,0]=3 29879 B14R1.774 Cc1cc(ccc1CSCCCO)Cl 62a_100011215043_100012361307 [0,2,0,0,0,0|1,0,0]=3 29880 B14R1.774 Cc1cc(ccc1CSCCCO)Cl 62a_100012361307_100011215043 [0,2,0,0,0,0|1,0,0]=3 29881 B14R1.774 Cc1cc(ccc1CSCCCO)F 62a_100000700533_100011215043 [0,2,0,0,0,0|1,0,0]=3 29882 B14R1.774 Cc1cc(ccc1CSCCCO)F 62a_100011215043_100000700533 [0,2,0,0,0,0|1,0,0]=3 29883 B14R1.774 Cc1cc(ccc1NCCCCF)Br 34a_100000211769_100000729493 [0,2,0,0,0,0|2,0,0]=4 29884 B14R1.774 Cc1cc(ccc1NCCCCF)Br 7a_100000211769_100000729493 [0,2,0,0,0,0|2,0,0]=4 29885 B14R1.774 Cc1cc(ccc1NCCCCF)Cl 34a_100000210418_100000729493 [0,2,0,0,0,0|2,0,0]=4 29886 B14R1.774 Cc1cc(ccc1NCCCCF)Cl 7a_100000210418_100000729493 [0,2,0,0,0,0|2,0,0]=4 29887 B14R1.774 Cc1cc(ccc1NCCCCF)F 34a_100000211637_100000729493 [0,2,0,0,0,0|2,0,0]=4 29888 B14R1.774 Cc1cc(ccc1NCCCCF)F 7a_100000211637_100000729493 [0,2,0,0,0,0|2,0,0]=4 29889 B14R1.774 Cc1cc(ccc1NCCCCF)I 34a_100000184554_100000729493 [0,2,0,0,0,0|2,0,0]=4 29890 B14R1.774 Cc1cc(ccc1NCCCCF)I 7a_100000184554_100000729493 [0,2,0,0,0,0|2,0,0]=4 29891 B14R1.774 Cc1cc(ccc1NCCCCF)O 34a_100000756630_100000729493 [0,2,0,0,0,0|2,0,0]=4 29892 B14R1.774 Cc1cc(ccc1NCCCCO)Br 34a_100000211769_100011216708 [0,2,0,0,0,0|1,0,0]=3 29893 B14R1.774 Cc1cc(ccc1NCCCCO)Br 7a_100000211769_100000210776 [0,2,0,0,0,0|1,0,0]=3 29894 B14R1.774 Cc1cc(ccc1NCCCCO)Cl 34a_100000210418_100011216708 [0,2,0,0,0,0|1,0,0]=3 29895 B14R1.774 Cc1cc(ccc1NCCCCO)Cl 7a_100000210418_100000210776 [0,2,0,0,0,0|1,0,0]=3 29896 B14R1.774 Cc1cc(ccc1NCCCCO)F 34a_100000211637_100011216708 [0,2,0,0,0,0|1,0,0]=3 29897 B14R1.774 Cc1cc(ccc1NCCCCO)F 7a_100000211637_100000210776 [0,2,0,0,0,0|1,0,0]=3 29898 B14R1.774 Cc1cc(ccc1NCCCCO)I 34a_100000184554_100011216708 [0,2,0,0,0,0|1,0,0]=3 29899 B14R1.774 Cc1cc(ccc1NCCCCO)I 7a_100000184554_100000210776 [0,2,0,0,0,0|1,0,0]=3 29900 B14R1.774 Cc1cc(ccc1NCCCCO)O 34a_100000756630_100011216708 [0,2,0,0,0,0|1,0,0]=3 29901 B14R1.774 Cc1cc(ccc1OCCCCF)Br 34a_100000186361_100000729493 [0,2,0,0,0,0|2,0,0]=4 29902 B14R1.774 Cc1cc(ccc1OCCCCF)Br 7a_100000186361_100000729493 [0,2,0,0,0,0|2,0,0]=4 29903 B14R1.774 Cc1cc(ccc1OCCCCF)Cl 34a_100000211091_100000729493 [0,2,0,0,0,0|2,0,0]=4 29904 B14R1.774 Cc1cc(ccc1OCCCCF)Cl 7a_100000211091_100000729493 [0,2,0,0,0,0|2,0,0]=4 29905 B14R1.774 Cc1cc(ccc1OCCCCF)F 34a_100000764316_100000729493 [0,2,0,0,0,0|2,0,0]=4 29906 B14R1.774 Cc1cc(ccc1OCCCCF)F 7a_100000764316_100000729493 [0,2,0,0,0,0|2,0,0]=4 29907 B14R1.774 Cc1cc(ccc1OCCCCF)I 34a_100011218673_100000729493 [0,2,0,0,0,0|2,0,0]=4 29908 B14R1.774 Cc1cc(ccc1OCCCCF)I 7a_100011218673_100000729493 [0,2,0,0,0,0|2,0,0]=4 29909 B14R1.774 Cc1cc(ccc1OCCCCF)N 34a_100011218179_100000729493 [0,2,0,0,0,0|2,0,0]=4 29910 B14R1.774 Cc1cc(ccc1OCCCCF)N 7a_100011218179_100000729493 [0,2,0,0,0,0|2,0,0]=4 29911 B14R1.774 Cc1cc(ccc1OCCCCO)Br 34a_100000186361_100011216708 [0,2,0,0,0,0|1,0,0]=3 29912 B14R1.774 Cc1cc(ccc1OCCCCO)Br 7a_100000186361_100000210776 [0,2,0,0,0,0|1,0,0]=3 29913 B14R1.774 Cc1cc(ccc1OCCCCO)Cl 34a_100000211091_100011216708 [0,2,0,0,0,0|1,0,0]=3 29914 B14R1.774 Cc1cc(ccc1OCCCCO)Cl 7a_100000211091_100000210776 [0,2,0,0,0,0|1,0,0]=3 29915 B14R1.774 Cc1cc(ccc1OCCCCO)F 34a_100000764316_100011216708 [0,2,0,0,0,0|1,0,0]=3 29916 B14R1.774 Cc1cc(ccc1OCCCCO)F 7a_100000764316_100000210776 [0,2,0,0,0,0|1,0,0]=3 29917 B14R1.774 Cc1cc(ccc1OCCCCO)I 34a_100011218673_100011216708 [0,2,0,0,0,0|1,0,0]=3 29918 B14R1.774 Cc1cc(ccc1OCCCCO)I 7a_100011218673_100000210776 [0,2,0,0,0,0|1,0,0]=3 29919 B14R1.774 Cc1cc(ccc1OCCCCO)N 34a_100011218179_100011216708 [0,2,0,0,0,0|1,0,0]=3 29920 B14R1.774 Cc1cc(ccc1OCCCCO)N 7a_100011218179_100000210776 [0,2,0,0,0,0|1,0,0]=3 29921 B14R1.774 Cc1cc(ccc1SCCCCF)Br 62a_100000701812_100000729493 [0,2,0,0,0,0|2,0,0]=4 29922 B14R1.774 Cc1cc(ccc1SCCCCF)Br 62a_100000729493_100000701812 [0,2,0,0,0,0|2,0,0]=4 29923 B14R1.774 Cc1cc(ccc1SCCCCF)Cl 62a_100000729493_100011219607 [0,2,0,0,0,0|2,0,0]=4 29924 B14R1.774 Cc1cc(ccc1SCCCCF)Cl 62a_100011219607_100000729493 [0,2,0,0,0,0|2,0,0]=4 29925 B14R1.774 Cc1cc(ccc1SCCCCF)F 62a_100000729493_100011205405 [0,2,0,0,0,0|2,0,0]=4 29926 B14R1.774 Cc1cc(ccc1SCCCCF)F 62a_100011205405_100000729493 [0,2,0,0,0,0|2,0,0]=4 29927 B14R1.774 Cc1cc(ccc1SCCCCF)N 62a_100000210723_100000729493 [0,2,0,0,0,0|2,0,0]=4 29928 B14R1.774 Cc1cc(ccc1SCCCCF)N 62a_100000729493_100000210723 [0,2,0,0,0,0|2,0,0]=4 29929 B14R1.774 Cc1cc(ccc1SCCCCF)O 62a_100000729493_100000690111 [0,2,0,0,0,0|2,0,0]=4 29930 B14R1.774 Cc1cc(ccc1SCCCCO)Br 62a_100000210776_100000701812 [0,2,0,0,0,0|1,0,0]=3 29931 B14R1.774 Cc1cc(ccc1SCCCCO)Br 62a_100000701812_100000210776 [0,2,0,0,0,0|1,0,0]=3 29932 B14R1.774 Cc1cc(ccc1SCCCCO)Cl 62a_100000210776_100011219607 [0,2,0,0,0,0|1,0,0]=3 29933 B14R1.774 Cc1cc(ccc1SCCCCO)Cl 62a_100011219607_100000210776 [0,2,0,0,0,0|1,0,0]=3 29934 B14R1.774 Cc1cc(ccc1SCCCCO)F 62a_100000210776_100011205405 [0,2,0,0,0,0|1,0,0]=3 29935 B14R1.774 Cc1cc(ccc1SCCCCO)F 62a_100011205405_100000210776 [0,2,0,0,0,0|1,0,0]=3 29936 B14R1.774 Cc1cc(ccc1SCCCCO)N 62a_100000210723_100000210776 [0,2,0,0,0,0|1,0,0]=3 29937 B14R1.774 Cc1cc(ccc1SCCCCO)N 62a_100000210776_100000210723 [0,2,0,0,0,0|1,0,0]=3 29938 B14R1.774 Cc1cc(ccc1SCCCCO)O 62a_100000210776_100000690111 [0,2,0,0,0,0|1,0,0]=3 29939 B14R1.774 Cc1cc(cnc1CNCCCO)Br 207a_100000182051_100010185443 [0,2,0,0,0,0|2,0,0]=4 29940 B14R1.774 Cc1cc(cnc1CNCCCO)Br 270004a_100000182051_100010185443 [0,2,0,0,0,0|2,0,0]=4 29941 B14R1.774 Cc1cc(cnc1CNCCCO)Cl 207a_100000182051_200009887756 [0,2,0,0,0,0|2,0,0]=4 29942 B14R1.774 Cc1cc(cnc1CNCCCO)Cl 270004a_100000182051_200009887756 [0,2,0,0,0,0|2,0,0]=4 29943 B14R1.774 Cc1cc(cnc1COCCCO)Br 34a_100010116297_100000230001 [0,2,0,0,0,0|2,0,0]=4 29944 B14R1.774 Cc1cc(cnc1COCCCO)Br 7a_100010116297_100011215043 [0,2,0,0,0,0|2,0,0]=4 29945 B14R1.774 Cc1cc(cnc1OCCCCO)Br 34a_100000685391_100011216708 [0,2,0,0,0,0|2,0,0]=4 29946 B14R1.774 Cc1cc(cnc1SCCCCO)Br 62a_100000210776_100012353652 [0,2,0,0,0,0|2,0,0]=4 29947 B14R1.774 Cc1cc(cnc1SCCCCO)Br 62a_100012353652_100000210776 [0,2,0,0,0,0|2,0,0]=4 29948 B14R1.774 Cc1cc(cnc1SCCCCO)F 62a_100000210776_100009817009 [0,2,0,0,0,0|2,0,0]=4 29949 B14R1.774 Cc1cc(cnc1SCCCCO)F 62a_100009817009_100000210776 [0,2,0,0,0,0|2,0,0]=4 29950 B14R1.774 Cc1cc(cnc1SCCCCO)N 62a_100000210776_100000761747 [0,2,0,0,0,0|2,0,0]=4 29951 B14R1.774 Cc1cc(cnc1SCCCCO)N 62a_100000761747_100000210776 [0,2,0,0,0,0|2,0,0]=4 29952 B14R1.774 Cc1cc(cnc1SCCCCO)O 62a_100000210776_100012000486 [0,2,0,0,0,0|2,0,0]=4 29953 B14R1.774 Cc1cc(cnc1SCCCCO)O 62a_100012000486_100000210776 [0,2,0,0,0,0|2,0,0]=4 29954 B14R1.774 Cc1cc(ncc1COCCCO)Cl 34a_100010277336_100000230001 [0,2,0,0,0,0|2,0,0]=4 29955 B14R1.774 Cc1cc(ncc1COCCCO)Cl 7a_100010277336_100011215043 [0,2,0,0,0,0|2,0,0]=4 29956 B14R1.774 Cc1cc(ncc1CSCCCO)F 62a_100010382440_100011215043 [0,2,0,0,0,0|2,0,0]=4 29957 B14R1.774 Cc1cc(ncc1CSCCCO)F 62a_100011215043_100010382440 [0,2,0,0,0,0|2,0,0]=4 29958 B14R1.774 Cc1cc(ncc1OCCCCO)Cl 34a_100000692680_100011216708 [0,2,0,0,0,0|2,0,0]=4 29959 B14R1.774 Cc1cc(ncc1OCCCCO)Cl 7a_100000692680_100000210776 [0,2,0,0,0,0|2,0,0]=4 29960 B14R1.774 Cc1cc(ncc1OCCCCO)F 34a_100009856773_100011216708 [0,2,0,0,0,0|2,0,0]=4 29961 B14R1.774 Cc1cc(ncc1OCCCCO)F 7a_100009856773_100000210776 [0,2,0,0,0,0|2,0,0]=4 29962 B14R1.774 Cc1cc(ncc1SCCCCO)Br 62a_100000210776_100009816104 [0,2,0,0,0,0|2,0,0]=4 29963 B14R1.774 Cc1cc(ncc1SCCCCO)Br 62a_100009816104_100000210776 [0,2,0,0,0,0|2,0,0]=4 29964 B14R1.774 Cc1cc(ncc1SCCCCO)Cl 62a_100000210776_100010172789 [0,2,0,0,0,0|2,0,0]=4 29965 B14R1.774 Cc1cc(ncc1SCCCCO)Cl 62a_100010172789_100000210776 [0,2,0,0,0,0|2,0,0]=4 29966 B14R1.774 Cc1cc(ncc1SCCCCO)F 62a_100000210776_100009820716 [0,2,0,0,0,0|2,0,0]=4 29967 B14R1.774 Cc1cc(ncc1SCCCCO)F 62a_100009820716_100000210776 [0,2,0,0,0,0|2,0,0]=4 29968 B14R1.774 Cc1cc(ncc1SCCCCO)N 62a_100000050067_100000210776 [0,2,0,0,0,0|2,0,0]=4 29969 B14R1.774 Cc1cc(ncc1SCCCCO)N 62a_100000210776_100000050067 [0,2,0,0,0,0|2,0,0]=4 29970 B14R1.774 Cc1cc(ncc1SCCCCO)O 62a_100000210776_100000766222 [0,2,0,0,0,0|2,0,0]=4 29971 B14R1.774 Cc1cc(ncc1SCCCCO)O 62a_100000766222_100000210776 [0,2,0,0,0,0|2,0,0]=4 29972 B14R1.774 Cc1ccc([n+](c1)[O-])SCCCCO 62a_100000210776_100009819918 [0,2,0,0,0,0|2,0,0]=4 29973 B14R1.774 Cc1ccc(c(c1)Br)CNCCCF 207a_100015189416_100000692596 [0,2,0,0,0,0|2,0,0]=4 29974 B14R1.774 Cc1ccc(c(c1)Br)CNCCCF 270004a_100015189416_100000692596 [0,2,0,0,0,0|2,0,0]=4 29975 B14R1.774 Cc1ccc(c(c1)Br)CNCCCO 207a_100000182051_100000692596 [0,2,0,0,0,0|1,0,0]=3 29976 B14R1.774 Cc1ccc(c(c1)Br)CNCCCO 270004a_100000182051_100000692596 [0,2,0,0,0,0|1,0,0]=3 29977 B14R1.774 Cc1ccc(c(c1)Br)NCCCCF 34a_100000210942_100000729493 [0,2,0,0,0,0|2,0,0]=4 29978 B14R1.774 Cc1ccc(c(c1)Br)NCCCCO 34a_100000210942_100011216708 [0,2,0,0,0,0|1,0,0]=3 29979 B14R1.774 Cc1ccc(c(c1)Br)OCCCCF 34a_100000210800_100000729493 [0,2,0,0,0,0|2,0,0]=4 29980 B14R1.774 Cc1ccc(c(c1)Br)OCCCCF 7a_100000210800_100000729493 [0,2,0,0,0,0|2,0,0]=4 29981 B14R1.774 Cc1ccc(c(c1)Br)OCCCCO 34a_100000210800_100011216708 [0,2,0,0,0,0|1,0,0]=3 29982 B14R1.774 Cc1ccc(c(c1)Br)OCCCCO 7a_100000210800_100000210776 [0,2,0,0,0,0|1,0,0]=3 29983 B14R1.774 Cc1ccc(c(c1)Br)SCCCCF 62a_100000729493_100009813563 [0,2,0,0,0,0|2,0,0]=4 29984 B14R1.774 Cc1ccc(c(c1)Br)SCCCCF 62a_100009813563_100000729493 [0,2,0,0,0,0|2,0,0]=4 29985 B14R1.774 Cc1ccc(c(c1)Br)SCCCCO 62a_100000210776_100009813563 [0,2,0,0,0,0|1,0,0]=3 29986 B14R1.774 Cc1ccc(c(c1)Br)SCCCCO 62a_100009813563_100000210776 [0,2,0,0,0,0|1,0,0]=3 29987 B14R1.774 Cc1ccc(c(c1)C)CCNCCF 2230a_100000745621_100011217306 [0,2,0,0,0,0|2,0,0]=4 29988 B14R1.774 Cc1ccc(c(c1)C)CCNCCF 34a_100000745621_100011217306 [0,2,0,0,0,0|2,0,0]=4 29989 B14R1.774 Cc1ccc(c(c1)C)CCNCCO 2230a_100000745621_100000211926 [0,2,0,0,0,0|1,0,0]=3 29990 B14R1.774 Cc1ccc(c(c1)C)CCNCCO 270004a_100000210304_100011754701 [0,2,0,0,0,0|1,0,0]=3 29991 B14R1.774 Cc1ccc(c(c1)C)CCNCCO 34a_100000745621_100000211926 [0,2,0,0,0,0|1,0,0]=3 29992 B14R1.774 Cc1ccc(c(c1)C)CNCCCF 207a_100015189416_100000211342 [0,2,0,0,0,0|2,0,0]=4 29993 B14R1.774 Cc1ccc(c(c1)C)CNCCCF 2230a_100015189416_100011219618 [0,2,0,0,0,0|2,0,0]=4 29994 B14R1.774 Cc1ccc(c(c1)C)CNCCCF 270004a_100015189416_100000211342 [0,2,0,0,0,0|2,0,0]=4 29995 B14R1.774 Cc1ccc(c(c1)C)CNCCCF 34a_100000737523_100011934791 [0,2,0,0,0,0|2,0,0]=4 29996 B14R1.774 Cc1ccc(c(c1)C)CNCCCF 34a_100015189416_100011219618 [0,2,0,0,0,0|2,0,0]=4 29997 B14R1.774 Cc1ccc(c(c1)C)CNCCCO 207a_100000182051_100000211342 [0,2,0,0,0,0|1,0,0]=3 29998 B14R1.774 Cc1ccc(c(c1)C)CNCCCO 270004a_100000182051_100000211342 [0,2,0,0,0,0|1,0,0]=3 29999 B14R1.774 Cc1ccc(c(c1)C)CNCCCO 34a_100000737523_100000230001 [0,2,0,0,0,0|1,0,0]=3 30000 B14R1.774 Cc1ccc(c(c1)C)COCCCBr 34a_100011217188_100011219618 [0,2,0,0,0,0|2,0,0]=4 30001 B14R1.774 Cc1ccc(c(c1)C)COCCCCl 34a_100000230001_100011219618 [0,2,0,0,0,0|2,0,0]=4 30002 B14R1.774 Cc1ccc(c(c1)C)COCCCF 34a_100000759539_100011219618 [0,2,0,0,0,0|2,0,0]=4 30003 B14R1.774 Cc1ccc(c(c1)C)COCCCF 34a_100011215341_100011934791 [0,2,0,0,0,0|2,0,0]=4 30004 B14R1.774 Cc1ccc(c(c1)C)COCCCF 7a_100011215341_100011934791 [0,2,0,0,0,0|2,0,0]=4 30005 B14R1.774 Cc1ccc(c(c1)C)COCCCN 34a_100000182051_100011219618 [0,2,0,0,0,0|2,0,0]=4 30006 B14R1.774 Cc1ccc(c(c1)C)COCCCO 34a_100011215341_100000230001 [0,2,0,0,0,0|1,0,0]=3 30007 B14R1.774 Cc1ccc(c(c1)C)COCCCO 7a_100011215341_100011215043 [0,2,0,0,0,0|1,0,0]=3 30008 B14R1.774 Cc1ccc(c(c1)C)CSCCCF 62a_100011219618_100011934791 [0,2,0,0,0,0|2,0,0]=4 30009 B14R1.774 Cc1ccc(c(c1)C)CSCCCF 62a_100011934791_100011219618 [0,2,0,0,0,0|2,0,0]=4 30010 B14R1.774 Cc1ccc(c(c1)C)CSCCCO 62a_100011215043_100011219618 [0,2,0,0,0,0|1,0,0]=3 30011 B14R1.774 Cc1ccc(c(c1)C)CSCCCO 62a_100011219618_100011215043 [0,2,0,0,0,0|1,0,0]=3 30012 B14R1.774 Cc1ccc(c(c1)C)NCCCCF 34a_100000736561_100000729493 [0,2,0,0,0,0|2,0,0]=4 30013 B14R1.774 Cc1ccc(c(c1)C)NCCCCF 7a_100000736561_100000729493 [0,2,0,0,0,0|2,0,0]=4 30014 B14R1.774 Cc1ccc(c(c1)C)NCCCCO 34a_100000736561_100011216708 [0,2,0,0,0,0|1,0,0]=3 30015 B14R1.774 Cc1ccc(c(c1)C)NCCCCO 7a_100000736561_100000210776 [0,2,0,0,0,0|1,0,0]=3 30016 B14R1.774 Cc1ccc(c(c1)C)OCCCCF 34a_100000211776_100000729493 [0,2,0,0,0,0|2,0,0]=4 30017 B14R1.774 Cc1ccc(c(c1)C)OCCCCF 7a_100000211776_100000729493 [0,2,0,0,0,0|2,0,0]=4 30018 B14R1.774 Cc1ccc(c(c1)C)OCCCCO 34a_100000211776_100011216708 [0,2,0,0,0,0|1,0,0]=3 30019 B14R1.774 Cc1ccc(c(c1)C)OCCCCO 7a_100000211776_100000210776 [0,2,0,0,0,0|1,0,0]=3 30020 B14R1.774 Cc1ccc(c(c1)C)SCCCCF 62a_100000729493_100011217332 [0,2,0,0,0,0|2,0,0]=4 30021 B14R1.774 Cc1ccc(c(c1)C)SCCCCF 62a_100011217332_100000729493 [0,2,0,0,0,0|2,0,0]=4 30022 B14R1.774 Cc1ccc(c(c1)C)SCCCCO 62a_100000210776_100011217332 [0,2,0,0,0,0|1,0,0]=3 30023 B14R1.774 Cc1ccc(c(c1)C)SCCCCO 62a_100011217332_100000210776 [0,2,0,0,0,0|1,0,0]=3 30024 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCF 207a_100015189416_100011935181 [0,2,0,0,0,0|2,0,0]=4 30025 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCF 2230a_100015189416_100012349684 [0,2,0,0,0,0|2,0,0]=4 30026 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCF 270004a_100015189416_100011935181 [0,2,0,0,0,0|2,0,0]=4 30027 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCF 34a_100011997539_100011934791 [0,2,0,0,0,0|2,0,0]=4 30028 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCF 34a_100015189416_100012349684 [0,2,0,0,0,0|2,0,0]=4 30029 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCO 207a_100000182051_100011935181 [0,2,0,0,0,0|1,0,0]=3 30030 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCO 270004a_100000182051_100011935181 [0,2,0,0,0,0|1,0,0]=3 30031 B14R1.774 Cc1ccc(c(c1)Cl)CNCCCO 34a_100011997539_100000230001 [0,2,0,0,0,0|1,0,0]=3 30032 B14R1.774 Cc1ccc(c(c1)Cl)COCCCBr 34a_100011217188_100012349684 [0,2,0,0,0,0|2,0,0]=4 30033 B14R1.774 Cc1ccc(c(c1)Cl)COCCCCl 34a_100000230001_100012349684 [0,2,0,0,0,0|2,0,0]=4 30034 B14R1.774 Cc1ccc(c(c1)Cl)COCCCF 34a_100000720314_100011934791 [0,2,0,0,0,0|2,0,0]=4 30035 B14R1.774 Cc1ccc(c(c1)Cl)COCCCF 34a_100000759539_100012349684 [0,2,0,0,0,0|2,0,0]=4 30036 B14R1.774 Cc1ccc(c(c1)Cl)COCCCF 7a_100000720314_100011934791 [0,2,0,0,0,0|2,0,0]=4 30037 B14R1.774 Cc1ccc(c(c1)Cl)COCCCN 34a_100000182051_100012349684 [0,2,0,0,0,0|2,0,0]=4 30038 B14R1.774 Cc1ccc(c(c1)Cl)COCCCO 34a_100000720314_100000230001 [0,2,0,0,0,0|1,0,0]=3 30039 B14R1.774 Cc1ccc(c(c1)Cl)COCCCO 7a_100000720314_100011215043 [0,2,0,0,0,0|1,0,0]=3 30040 B14R1.774 Cc1ccc(c(c1)Cl)CSCCCF 62a_100011934791_100012349684 [0,2,0,0,0,0|2,0,0]=4 30041 B14R1.774 Cc1ccc(c(c1)Cl)CSCCCF 62a_100012349684_100011934791 [0,2,0,0,0,0|2,0,0]=4 30042 B14R1.774 Cc1ccc(c(c1)Cl)CSCCCO 62a_100011215043_100012349684 [0,2,0,0,0,0|1,0,0]=3 30043 B14R1.774 Cc1ccc(c(c1)Cl)CSCCCO 62a_100012349684_100011215043 [0,2,0,0,0,0|1,0,0]=3 30044 B14R1.774 Cc1ccc(c(c1)Cl)NCCCCF 34a_100000210522_100000729493 [0,2,0,0,0,0|2,0,0]=4 30045 B14R1.774 Cc1ccc(c(c1)Cl)NCCCCO 34a_100000210522_100011216708 [0,2,0,0,0,0|1,0,0]=3 30046 B14R1.774 Cc1ccc(c(c1)Cl)OCCCCF 34a_100000749699_100000729493 [0,2,0,0,0,0|2,0,0]=4 30047 B14R1.774 Cc1ccc(c(c1)Cl)OCCCCF 7a_100000749699_100000729493 [0,2,0,0,0,0|2,0,0]=4 30048 B14R1.774 Cc1ccc(c(c1)Cl)OCCCCO 34a_100000749699_100011216708 [0,2,0,0,0,0|1,0,0]=3 30049 B14R1.774 Cc1ccc(c(c1)Cl)OCCCCO 7a_100000749699_100000210776 [0,2,0,0,0,0|1,0,0]=3 30050 B14R1.774 Cc1ccc(c(c1)Cl)SCCCCF 62a_100000729493_100011263221 [0,2,0,0,0,0|2,0,0]=4 30051 B14R1.774 Cc1ccc(c(c1)Cl)SCCCCF 62a_100011263221_100000729493 [0,2,0,0,0,0|2,0,0]=4 30052 B14R1.774 Cc1ccc(c(c1)Cl)SCCCCO 62a_100000210776_100011263221 [0,2,0,0,0,0|1,0,0]=3 30053 B14R1.774 Cc1ccc(c(c1)Cl)SCCCCO 62a_100011263221_100000210776 [0,2,0,0,0,0|1,0,0]=3 30054 B14R1.774 Cc1ccc(c(c1)F)CNCCCF 207a_100015189416_100011217368 [0,2,0,0,0,0|2,0,0]=4 30055 B14R1.774 Cc1ccc(c(c1)F)CNCCCF 2230a_100015189416_100011217900 [0,2,0,0,0,0|2,0,0]=4 30056 B14R1.774 Cc1ccc(c(c1)F)CNCCCF 270004a_100015189416_100011217368 [0,2,0,0,0,0|2,0,0]=4 30057 B14R1.774 Cc1ccc(c(c1)F)CNCCCF 34a_100015189416_100012002367 [0,2,0,0,0,0|2,0,0]=4 30058 B14R1.774 Cc1ccc(c(c1)F)CNCCCF 34a_100102887089_100011934791 [0,2,0,0,0,0|2,0,0]=4 30059 B14R1.774 Cc1ccc(c(c1)F)CNCCCO 207a_100000182051_100011217368 [0,2,0,0,0,0|1,0,0]=3 30060 B14R1.774 Cc1ccc(c(c1)F)CNCCCO 270004a_100000182051_100011217368 [0,2,0,0,0,0|1,0,0]=3 30061 B14R1.774 Cc1ccc(c(c1)F)CNCCCO 34a_100102887089_100000230001 [0,2,0,0,0,0|1,0,0]=3 30062 B14R1.774 Cc1ccc(c(c1)F)COCCCBr 34a_100011217188_100012002367 [0,2,0,0,0,0|2,0,0]=4 30063 B14R1.774 Cc1ccc(c(c1)F)COCCCCl 34a_100000230001_100012002367 [0,2,0,0,0,0|2,0,0]=4 30064 B14R1.774 Cc1ccc(c(c1)F)COCCCF 34a_100000759539_100012002367 [0,2,0,0,0,0|2,0,0]=4 30065 B14R1.774 Cc1ccc(c(c1)F)COCCCF 34a_100011216587_100011934791 [0,2,0,0,0,0|2,0,0]=4 30066 B14R1.774 Cc1ccc(c(c1)F)COCCCF 7a_100011216587_100011934791 [0,2,0,0,0,0|2,0,0]=4 30067 B14R1.774 Cc1ccc(c(c1)F)COCCCN 34a_100000182051_100012002367 [0,2,0,0,0,0|2,0,0]=4 30068 B14R1.774 Cc1ccc(c(c1)F)COCCCO 34a_100011216587_100000230001 [0,2,0,0,0,0|1,0,0]=3 30069 B14R1.774 Cc1ccc(c(c1)F)COCCCO 7a_100011216587_100011215043 [0,2,0,0,0,0|1,0,0]=3 30070 B14R1.774 Cc1ccc(c(c1)F)CSCCCF 62a_100011217900_100011934791 [0,2,0,0,0,0|2,0,0]=4 30071 B14R1.774 Cc1ccc(c(c1)F)CSCCCF 62a_100011934791_100011217900 [0,2,0,0,0,0|2,0,0]=4 30072 B14R1.774 Cc1ccc(c(c1)F)CSCCCO 62a_100011215043_100011217900 [0,2,0,0,0,0|1,0,0]=3 30073 B14R1.774 Cc1ccc(c(c1)F)CSCCCO 62a_100011217900_100011215043 [0,2,0,0,0,0|1,0,0]=3 30074 B14R1.774 Cc1ccc(c(c1)F)NCCCCF 34a_100000211023_100000729493 [0,2,0,0,0,0|2,0,0]=4 30075 B14R1.774 Cc1ccc(c(c1)F)NCCCCO 34a_100000211023_100011216708 [0,2,0,0,0,0|1,0,0]=3 30076 B14R1.774 Cc1ccc(c(c1)F)OCCCCF 34a_100011216688_100000729493 [0,2,0,0,0,0|2,0,0]=4 30077 B14R1.774 Cc1ccc(c(c1)F)OCCCCF 7a_100011216688_100000729493 [0,2,0,0,0,0|2,0,0]=4 30078 B14R1.774 Cc1ccc(c(c1)F)OCCCCO 34a_100011216688_100011216708 [0,2,0,0,0,0|1,0,0]=3 30079 B14R1.774 Cc1ccc(c(c1)F)OCCCCO 7a_100011216688_100000210776 [0,2,0,0,0,0|1,0,0]=3 30080 B14R1.774 Cc1ccc(c(c1)F)SCCCCF 62a_100000729493_100011216119 [0,2,0,0,0,0|2,0,0]=4 30081 B14R1.774 Cc1ccc(c(c1)F)SCCCCF 62a_100011216119_100000729493 [0,2,0,0,0,0|2,0,0]=4 30082 B14R1.774 Cc1ccc(c(c1)F)SCCCCO 62a_100000210776_100011216119 [0,2,0,0,0,0|1,0,0]=3 30083 B14R1.774 Cc1ccc(c(c1)F)SCCCCO 62a_100011216119_100000210776 [0,2,0,0,0,0|1,0,0]=3 30084 B14R1.774 Cc1ccc(c(c1)I)CNCCCF 207a_100015189416_100010150104 [0,2,0,0,0,0|2,0,0]=4 30085 B14R1.774 Cc1ccc(c(c1)I)CNCCCF 270004a_100015189416_100010150104 [0,2,0,0,0,0|2,0,0]=4 30086 B14R1.774 Cc1ccc(c(c1)I)CNCCCO 207a_100000182051_100010150104 [0,2,0,0,0,0|1,0,0]=3 30087 B14R1.774 Cc1ccc(c(c1)I)CNCCCO 270004a_100000182051_100010150104 [0,2,0,0,0,0|1,0,0]=3 30088 B14R1.774 Cc1ccc(c(c1)I)NCCCCF 34a_100011356834_100000729493 [0,2,0,0,0,0|2,0,0]=4 30089 B14R1.774 Cc1ccc(c(c1)I)NCCCCO 34a_100011356834_100011216708 [0,2,0,0,0,0|1,0,0]=3 30090 B14R1.774 Cc1ccc(c(c1)I)OCCCCF 34a_100000765521_100000729493 [0,2,0,0,0,0|2,0,0]=4 30091 B14R1.774 Cc1ccc(c(c1)I)OCCCCF 7a_100000765521_100000729493 [0,2,0,0,0,0|2,0,0]=4 30092 B14R1.774 Cc1ccc(c(c1)I)OCCCCO 34a_100000765521_100011216708 [0,2,0,0,0,0|1,0,0]=3 30093 B14R1.774 Cc1ccc(c(c1)I)OCCCCO 7a_100000765521_100000210776 [0,2,0,0,0,0|1,0,0]=3 30094 B14R1.774 Cc1ccc(c(c1)N)COCCCF 34a_100000087799_100011934791 [0,2,0,0,0,0|2,0,0]=4 30095 B14R1.774 Cc1ccc(c(c1)N)COCCCF 7a_100000087799_100011934791 [0,2,0,0,0,0|2,0,0]=4 30096 B14R1.774 Cc1ccc(c(c1)N)COCCCO 34a_100000087799_100000230001 [0,2,0,0,0,0|1,0,0]=3 30097 B14R1.774 Cc1ccc(c(c1)N)COCCCO 7a_100000087799_100011215043 [0,2,0,0,0,0|1,0,0]=3 30098 B14R1.774 Cc1ccc(c(c1)N)OCCCCF 34a_100011215204_100000729493 [0,2,0,0,0,0|2,0,0]=4 30099 B14R1.774 Cc1ccc(c(c1)N)OCCCCF 7a_100011215204_100000729493 [0,2,0,0,0,0|2,0,0]=4 30100 B14R1.774 Cc1ccc(c(c1)N)OCCCCO 34a_100011215204_100011216708 [0,2,0,0,0,0|1,0,0]=3 30101 B14R1.774 Cc1ccc(c(c1)N)OCCCCO 7a_100011215204_100000210776 [0,2,0,0,0,0|1,0,0]=3 30102 B14R1.774 Cc1ccc(c(c1)N)SCCCCF 62a_100000729493_100011216686 [0,2,0,0,0,0|2,0,0]=4 30103 B14R1.774 Cc1ccc(c(c1)N)SCCCCF 62a_100011216686_100000729493 [0,2,0,0,0,0|2,0,0]=4 30104 B14R1.774 Cc1ccc(c(c1)N)SCCCCO 62a_100000210776_100011216686 [0,2,0,0,0,0|1,0,0]=3 30105 B14R1.774 Cc1ccc(c(c1)N)SCCCCO 62a_100011216686_100000210776 [0,2,0,0,0,0|1,0,0]=3 30106 B14R1.774 Cc1ccc(c(c1)O)NCCCCF 34a_100000211527_100000729493 [0,2,0,0,0,0|2,0,0]=4 30107 B14R1.774 Cc1ccc(c(c1)O)NCCCCO 34a_100000211527_100011216708 [0,2,0,0,0,0|1,0,0]=3 30108 B14R1.774 Cc1ccc(c(c1)O)SCCCCF 62a_100000729493_100012002257 [0,2,0,0,0,0|2,0,0]=4 30109 B14R1.774 Cc1ccc(c(c1)O)SCCCCF 62a_100012002257_100000729493 [0,2,0,0,0,0|2,0,0]=4 30110 B14R1.774 Cc1ccc(c(c1)O)SCCCCO 62a_100000210776_100012002257 [0,2,0,0,0,0|1,0,0]=3 30111 B14R1.774 Cc1ccc(c(c1)O)SCCCCO 62a_100012002257_100000210776 [0,2,0,0,0,0|1,0,0]=3 30112 B14R1.774 Cc1ccc(c(n1)Br)CSCCCO 62a_100011215043_200010064658 [0,2,0,0,0,0|2,0,0]=4 30113 B14R1.774 Cc1ccc(c(n1)Br)CSCCCO 62a_200010064658_100011215043 [0,2,0,0,0,0|2,0,0]=4 30114 B14R1.774 Cc1ccc(c(n1)Br)OCCCCO 34a_100000702858_100011216708 [0,2,0,0,0,0|2,0,0]=4 30115 B14R1.774 Cc1ccc(c(n1)Br)OCCCCO 7a_100000702858_100000210776 [0,2,0,0,0,0|2,0,0]=4 30116 B14R1.774 Cc1ccc(c(n1)C)CNCCCO 207a_100000182051_100011794427 [0,2,0,0,0,0|2,0,0]=4 30117 B14R1.774 Cc1ccc(c(n1)C)CNCCCO 270004a_100000182051_100011794427 [0,2,0,0,0,0|2,0,0]=4 30118 B14R1.774 Cc1ccc(c(n1)C)COCCCO 34a_100011756430_100000230001 [0,2,0,0,0,0|2,0,0]=4 30119 B14R1.774 Cc1ccc(c(n1)C)COCCCO 7a_100011756430_100011215043 [0,2,0,0,0,0|2,0,0]=4 30120 B14R1.774 Cc1ccc(c(n1)C)OCCCCO 34a_100011218912_100011216708 [0,2,0,0,0,0|2,0,0]=4 30121 B14R1.774 Cc1ccc(c(n1)C)OCCCCO 7a_100011218912_100000210776 [0,2,0,0,0,0|2,0,0]=4 30122 B14R1.774 Cc1ccc(c(n1)C)SCCCCO 62a_100000210776_100009813853 [0,2,0,0,0,0|2,0,0]=4 30123 B14R1.774 Cc1ccc(c(n1)C)SCCCCO 62a_100009813853_100000210776 [0,2,0,0,0,0|2,0,0]=4 30124 B14R1.774 Cc1ccc(c(n1)Cl)COCCCO 34a_102495338573_100000230001 [0,2,0,0,0,0|2,0,0]=4 30125 B14R1.774 Cc1ccc(c(n1)Cl)COCCCO 7a_102495338573_100011215043 [0,2,0,0,0,0|2,0,0]=4 30126 B14R1.774 Cc1ccc(c(n1)Cl)OCCCCO 34a_100000086286_100011216708 [0,2,0,0,0,0|2,0,0]=4 30127 B14R1.774 Cc1ccc(c(n1)Cl)OCCCCO 7a_100000086286_100000210776 [0,2,0,0,0,0|2,0,0]=4 30128 B14R1.774 Cc1ccc(c(n1)F)OCCCCO 34a_100000079963_100011216708 [0,2,0,0,0,0|2,0,0]=4 30129 B14R1.774 Cc1ccc(c(n1)F)OCCCCO 7a_100000079963_100000210776 [0,2,0,0,0,0|2,0,0]=4 30130 B14R1.774 Cc1ccc(c(n1)F)SCCCCO 62a_100000210776_100010006597 [0,2,0,0,0,0|2,0,0]=4 30131 B14R1.774 Cc1ccc(c(n1)F)SCCCCO 62a_100010006597_100000210776 [0,2,0,0,0,0|2,0,0]=4 30132 B14R1.774 Cc1ccc(c(n1)I)OCCCCO 34a_100000023897_100011216708 [0,2,0,0,0,0|2,0,0]=4 30133 B14R1.774 Cc1ccc(c(n1)I)OCCCCO 7a_100000023897_100000210776 [0,2,0,0,0,0|2,0,0]=4 30134 B14R1.774 Cc1ccc(c(n1)N)OCCCCO 34a_100000694039_100011216708 [0,2,0,0,0,0|2,0,0]=4 30135 B14R1.774 Cc1ccc(c(n1)N)OCCCCO 7a_100000694039_100000210776 [0,2,0,0,0,0|2,0,0]=4 30136 B14R1.774 Cc1ccc(c(n1)N)SCCCCO 62a_100000210776_100009816662 [0,2,0,0,0,0|2,0,0]=4 30137 B14R1.774 Cc1ccc(c(n1)N)SCCCCO 62a_100009816662_100000210776 [0,2,0,0,0,0|2,0,0]=4 30138 B14R1.774 Cc1ccc(c(n1)O)SCCCCO 62a_100000210776_100009817604 [0,2,0,0,0,0|2,0,0]=4 30139 B14R1.774 Cc1ccc(c(n1)O)SCCCCO 62a_100009817604_100000210776 [0,2,0,0,0,0|2,0,0]=4 30140 B14R1.774 Cc1cnc(c(c1)Br)OCCCCO 34a_100000719714_100011216708 [0,2,0,0,0,0|2,0,0]=4 30141 B14R1.774 Cc1cnc(c(c1)C)COCCCO 34a_100012000483_100000230001 [0,2,0,0,0,0|2,0,0]=4 30142 B14R1.774 Cc1cnc(c(c1)C)COCCCO 7a_100012000483_100011215043 [0,2,0,0,0,0|2,0,0]=4 30143 B14R1.774 Cc1cnc(c(c1)C)CSCCCO 62a_100011215043_100016990036 [0,2,0,0,0,0|2,0,0]=4 30144 B14R1.774 Cc1cnc(c(c1)C)CSCCCO 62a_100016990036_100011215043 [0,2,0,0,0,0|2,0,0]=4 30145 B14R1.774 Cc1cnc(c(c1)C)SCCCCO 62a_100000210776_100009864548 [0,2,0,0,0,0|2,0,0]=4 30146 B14R1.774 Cc1cnc(c(c1)C)SCCCCO 62a_100009864548_100000210776 [0,2,0,0,0,0|2,0,0]=4 30147 B14R1.774 Cc1cnc(c(c1)F)CNCCCO 207a_100000182051_100009845184 [0,2,0,0,0,0|2,0,0]=4 30148 B14R1.774 Cc1cnc(c(c1)F)CNCCCO 270004a_100000182051_100009845184 [0,2,0,0,0,0|2,0,0]=4 30149 B14R1.774 Cc1cnc(c(c1)F)SCCCCO 62a_100000210776_100009819633 [0,2,0,0,0,0|2,0,0]=4 30150 B14R1.774 Cc1cnc(c(c1)F)SCCCCO 62a_100009819633_100000210776 [0,2,0,0,0,0|2,0,0]=4 30151 B14R1.774 Cc1cnc(c(c1)N)OCCCCO 34a_100012000488_100011216708 [0,2,0,0,0,0|2,0,0]=4 30152 B14R1.774 Cc1cnc(c(c1)N)SCCCCO 62a_100000210776_100000733613 [0,2,0,0,0,0|2,0,0]=4 30153 B14R1.774 Cc1cnc(c(c1)N)SCCCCO 62a_100000733613_100000210776 [0,2,0,0,0,0|2,0,0]=4 30154 B14R1.774 Cc1cnc(c(c1)O)SCCCCO 62a_100000210776_100012000487 [0,2,0,0,0,0|2,0,0]=4 30155 B14R1.774 Cc1nc(ccc1COCCCO)F 34a_100000081978_100000230001 [0,2,0,0,0,0|2,0,0]=4 30156 B14R1.774 Cc1nc(ccc1COCCCO)F 7a_100000081978_100011215043 [0,2,0,0,0,0|2,0,0]=4 30157 B14R1.774 Cc1nc(ccc1OCCCCO)Br 34a_100012002022_100011216708 [0,2,0,0,0,0|2,0,0]=4 30158 B14R1.774 Cc1nc(ccc1OCCCCO)Br 7a_100012002022_100000210776 [0,2,0,0,0,0|2,0,0]=4 30159 B14R1.774 Cc1nc(ccc1OCCCCO)Cl 34a_100012184626_100011216708 [0,2,0,0,0,0|2,0,0]=4 30160 B14R1.774 Cc1nc(ccc1OCCCCO)Cl 7a_100012184626_100000210776 [0,2,0,0,0,0|2,0,0]=4 30161 B14R1.774 Cc1nc(ccc1OCCCCO)F 34a_100009881036_100011216708 [0,2,0,0,0,0|2,0,0]=4 30162 B14R1.774 Cc1nc(ccc1OCCCCO)F 7a_100009881036_100000210776 [0,2,0,0,0,0|2,0,0]=4 30163 B14R1.774 Cc1nc(ccc1OCCCCO)I 34a_100010233687_100011216708 [0,2,0,0,0,0|2,0,0]=4 30164 B14R1.774 Cc1nc(ccc1OCCCCO)I 7a_100010233687_100000210776 [0,2,0,0,0,0|2,0,0]=4 30165 B14R1.774 Cc1nc(ccc1SCCCCO)Cl 62a_100000062408_100000210776 [0,2,0,0,0,0|2,0,0]=4 30166 B14R1.774 Cc1nc(ccc1SCCCCO)Cl 62a_100000210776_100000062408 [0,2,0,0,0,0|2,0,0]=4 30167 B14R1.774 Cc1nc(ccc1SCCCCO)F 62a_100000210776_100000688911 [0,2,0,0,0,0|2,0,0]=4 30168 B14R1.774 Cc1nc(ccc1SCCCCO)F 62a_100000688911_100000210776 [0,2,0,0,0,0|2,0,0]=4 30169 B14R1.774 Cc1nc(ccc1SCCCCO)N 62a_100000187202_100000210776 [0,2,0,0,0,0|2,0,0]=4 30170 B14R1.774 Cc1nc(ccc1SCCCCO)N 62a_100000210776_100000187202 [0,2,0,0,0,0|2,0,0]=4 30171 B14R1.774 Cc1nc(ccc1SCCCCO)O 62a_100000210776_100000691680 [0,2,0,0,0,0|2,0,0]=4 30172 B14R1.774 Cc1nc(ccc1SCCCCO)O 62a_100000691680_100000210776 [0,2,0,0,0,0|2,0,0]=4 30173 B14R1.774 ClCCCOCc1ccc(cc1Br)Br 34a_100000230001_200012351560 [0,2,0,0,0,0|2,0,0]=4 30174 B14R1.774 ClCCCOCc1ccc(cc1Br)Cl 34a_100000230001_100000755608 [0,2,0,0,0,0|2,0,0]=4 30175 B14R1.774 ClCCCOCc1ccc(cc1Br)I 34a_100000230001_100010146610 [0,2,0,0,0,0|2,0,0]=4 30176 B14R1.774 ClCCCOCc1ccc(cc1Cl)Br 34a_100000230001_100011740631 [0,2,0,0,0,0|2,0,0]=4 30177 B14R1.774 ClCCCOCc1ccc(cc1Cl)Cl 34a_100000230001_100000188473 [0,2,0,0,0,0|2,0,0]=4 30178 B14R1.774 ClCCCOCc1ccc(cc1I)Br 34a_100000230001_100010146615 [0,2,0,0,0,0|2,0,0]=4 30179 B14R1.774 ClCCCOCc1ccc(cc1I)Cl 34a_100000230001_100010254388 [0,2,0,0,0,0|2,0,0]=4 30180 B14R1.774 Clc1cc(ccc1COCCCBr)Br 34a_100011217188_100011740631 [0,2,0,0,0,0|2,0,0]=4 30181 B14R1.774 Clc1ccc(c(c1)Br)CCOCCBr 34a_100000211926_200012945151 [0,2,0,0,0,0|2,0,0]=4 30182 B14R1.774 Clc1ccc(c(c1)Br)COCCCBr 34a_100011217188_100000755608 [0,2,0,0,0,0|2,0,0]=4 30183 B14R1.774 Clc1ccc(c(c1)Cl)CCOCCBr 34a_100000211926_200012161198 [0,2,0,0,0,0|2,0,0]=4 30184 B14R1.774 Clc1ccc(c(c1)Cl)COCCCBr 34a_100011217188_100000188473 [0,2,0,0,0,0|2,0,0]=4 30185 B14R1.774 Clc1ccc(c(c1)I)COCCCBr 34a_100011217188_100010254388 [0,2,0,0,0,0|2,0,0]=4 30186 B14R1.774 FCCCCNc1ccc(cc1Br)Br 34a_100000211012_100000729493 [0,2,0,0,0,0|2,0,0]=4 30187 B14R1.774 FCCCCNc1ccc(cc1Br)Cl 34a_100000752454_100000729493 [0,2,0,0,0,0|2,0,0]=4 30188 B14R1.774 FCCCCNc1ccc(cc1Br)F 34a_100000738039_100000729493 [0,2,0,0,0,0|2,0,0]=4 30189 B14R1.774 FCCCCNc1ccc(cc1Cl)Br 34a_100000211467_100000729493 [0,2,0,0,0,0|2,0,0]=4 30190 B14R1.774 FCCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100000729493 [0,2,0,0,0,0|2,0,0]=4 30191 B14R1.774 FCCCCNc1ccc(cc1Cl)F 34a_100000212003_100000729493 [0,2,0,0,0,0|2,0,0]=4 30192 B14R1.774 FCCCCNc1ccc(cc1Cl)I 34a_100011218065_100000729493 [0,2,0,0,0,0|2,0,0]=4 30193 B14R1.774 FCCCCNc1ccc(cc1F)Br 34a_100000210722_100000729493 [0,2,0,0,0,0|2,0,0]=4 30194 B14R1.774 FCCCCNc1ccc(cc1F)Cl 34a_100000211020_100000729493 [0,2,0,0,0,0|2,0,0]=4 30195 B14R1.774 FCCCCNc1ccc(cc1F)F 34a_100000210720_100000729493 [0,2,0,0,0,0|2,0,0]=4 30196 B14R1.774 FCCCCNc1ccc(cc1F)I 34a_100011215594_100000729493 [0,2,0,0,0,0|2,0,0]=4 30197 B14R1.774 FCCCCNc1ccc(cc1I)Br 34a_100000187925_100000729493 [0,2,0,0,0,0|2,0,0]=4 30198 B14R1.774 FCCCCNc1ccc(cc1I)Cl 34a_100000761889_100000729493 [0,2,0,0,0,0|2,0,0]=4 30199 B14R1.774 FCCCCNc1ccc(cc1I)F 34a_100000760547_100000729493 [0,2,0,0,0,0|2,0,0]=4 30200 B14R1.774 FCCCCOc1ccc(cc1Br)Br 34a_100000188717_100000729493 [0,2,0,0,0,0|2,0,0]=4 30201 B14R1.774 FCCCCOc1ccc(cc1Br)Br 7a_100000188717_100000729493 [0,2,0,0,0,0|2,0,0]=4 30202 B14R1.774 FCCCCOc1ccc(cc1Br)Cl 34a_100000211998_100000729493 [0,2,0,0,0,0|2,0,0]=4 30203 B14R1.774 FCCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000729493 [0,2,0,0,0,0|2,0,0]=4 30204 B14R1.774 FCCCCOc1ccc(cc1Br)F 34a_100000211999_100000729493 [0,2,0,0,0,0|2,0,0]=4 30205 B14R1.774 FCCCCOc1ccc(cc1Br)F 7a_100000211999_100000729493 [0,2,0,0,0,0|2,0,0]=4 30206 B14R1.774 FCCCCOc1ccc(cc1Br)I 34a_100012361655_100000729493 [0,2,0,0,0,0|2,0,0]=4 30207 B14R1.774 FCCCCOc1ccc(cc1Br)I 7a_100012361655_100000729493 [0,2,0,0,0,0|2,0,0]=4 30208 B14R1.774 FCCCCOc1ccc(cc1Cl)Br 34a_100000186472_100000729493 [0,2,0,0,0,0|2,0,0]=4 30209 B14R1.774 FCCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000729493 [0,2,0,0,0,0|2,0,0]=4 30210 B14R1.774 FCCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100000729493 [0,2,0,0,0,0|2,0,0]=4 30211 B14R1.774 FCCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000729493 [0,2,0,0,0,0|2,0,0]=4 30212 B14R1.774 FCCCCOc1ccc(cc1Cl)F 34a_100000212004_100000729493 [0,2,0,0,0,0|2,0,0]=4 30213 B14R1.774 FCCCCOc1ccc(cc1Cl)F 7a_100000212004_100000729493 [0,2,0,0,0,0|2,0,0]=4 30214 B14R1.774 FCCCCOc1ccc(cc1Cl)I 34a_100012360047_100000729493 [0,2,0,0,0,0|2,0,0]=4 30215 B14R1.774 FCCCCOc1ccc(cc1Cl)I 7a_100012360047_100000729493 [0,2,0,0,0,0|2,0,0]=4 30216 B14R1.774 FCCCCOc1ccc(cc1F)Br 34a_100000185481_100000729493 [0,2,0,0,0,0|2,0,0]=4 30217 B14R1.774 FCCCCOc1ccc(cc1F)Br 7a_100000185481_100000729493 [0,2,0,0,0,0|2,0,0]=4 30218 B14R1.774 FCCCCOc1ccc(cc1F)Cl 34a_100000230166_100000729493 [0,2,0,0,0,0|2,0,0]=4 30219 B14R1.774 FCCCCOc1ccc(cc1F)Cl 7a_100000230166_100000729493 [0,2,0,0,0,0|2,0,0]=4 30220 B14R1.774 FCCCCOc1ccc(cc1F)F 34a_100000230127_100000729493 [0,2,0,0,0,0|2,0,0]=4 30221 B14R1.774 FCCCCOc1ccc(cc1F)F 7a_100000230127_100000729493 [0,2,0,0,0,0|2,0,0]=4 30222 B14R1.774 FCCCCOc1ccc(cc1F)I 34a_100011356965_100000729493 [0,2,0,0,0,0|2,0,0]=4 30223 B14R1.774 FCCCCOc1ccc(cc1F)I 7a_100011356965_100000729493 [0,2,0,0,0,0|2,0,0]=4 30224 B14R1.774 FCCCCOc1ccc(cc1I)Br 34a_100012355227_100000729493 [0,2,0,0,0,0|2,0,0]=4 30225 B14R1.774 FCCCCOc1ccc(cc1I)Br 7a_100012355227_100000729493 [0,2,0,0,0,0|2,0,0]=4 30226 B14R1.774 FCCCCOc1ccc(cc1I)Cl 34a_100011356953_100000729493 [0,2,0,0,0,0|2,0,0]=4 30227 B14R1.774 FCCCCOc1ccc(cc1I)Cl 7a_100011356953_100000729493 [0,2,0,0,0,0|2,0,0]=4 30228 B14R1.774 FCCCCOc1ccc(cc1I)F 34a_100012355409_100000729493 [0,2,0,0,0,0|2,0,0]=4 30229 B14R1.774 FCCCCOc1ccc(cc1I)F 7a_100012355409_100000729493 [0,2,0,0,0,0|2,0,0]=4 30230 B14R1.774 FCCCCOc1ccc(cc1I)I 7a_100010001573_100000729493 [0,2,0,0,0,0|2,0,0]=4 30231 B14R1.774 FCCCCSc1ccc(cc1Br)Br 62a_100000729493_100011484698 [0,2,0,0,0,0|2,0,0]=4 30232 B14R1.774 FCCCCSc1ccc(cc1Br)Br 62a_100011484698_100000729493 [0,2,0,0,0,0|2,0,0]=4 30233 B14R1.774 FCCCCSc1ccc(cc1Br)Cl 62a_100000729493_100011219703 [0,2,0,0,0,0|2,0,0]=4 30234 B14R1.774 FCCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000729493 [0,2,0,0,0,0|2,0,0]=4 30235 B14R1.774 FCCCCSc1ccc(cc1Br)F 62a_100000729493_100011217111 [0,2,0,0,0,0|2,0,0]=4 30236 B14R1.774 FCCCCSc1ccc(cc1Br)F 62a_100011217111_100000729493 [0,2,0,0,0,0|2,0,0]=4 30237 B14R1.774 FCCCCSc1ccc(cc1Cl)Br 62a_100000729493_100011216062 [0,2,0,0,0,0|2,0,0]=4 30238 B14R1.774 FCCCCSc1ccc(cc1Cl)Br 62a_100011216062_100000729493 [0,2,0,0,0,0|2,0,0]=4 30239 B14R1.774 FCCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000729493 [0,2,0,0,0,0|2,0,0]=4 30240 B14R1.774 FCCCCSc1ccc(cc1Cl)Cl 62a_100000729493_100000699841 [0,2,0,0,0,0|2,0,0]=4 30241 B14R1.774 FCCCCSc1ccc(cc1Cl)F 62a_100000729493_100000733362 [0,2,0,0,0,0|2,0,0]=4 30242 B14R1.774 FCCCCSc1ccc(cc1Cl)F 62a_100000733362_100000729493 [0,2,0,0,0,0|2,0,0]=4 30243 B14R1.774 FCCCCSc1ccc(cc1F)Br 62a_100000729493_100009814013 [0,2,0,0,0,0|2,0,0]=4 30244 B14R1.774 FCCCCSc1ccc(cc1F)Br 62a_100009814013_100000729493 [0,2,0,0,0,0|2,0,0]=4 30245 B14R1.774 FCCCCSc1ccc(cc1F)Cl 62a_100000729493_100011216042 [0,2,0,0,0,0|2,0,0]=4 30246 B14R1.774 FCCCCSc1ccc(cc1F)Cl 62a_100011216042_100000729493 [0,2,0,0,0,0|2,0,0]=4 30247 B14R1.774 FCCCCSc1ccc(cc1F)F 62a_100000729493_100000750030 [0,2,0,0,0,0|2,0,0]=4 30248 B14R1.774 FCCCCSc1ccc(cc1F)F 62a_100000750030_100000729493 [0,2,0,0,0,0|2,0,0]=4 30249 B14R1.774 FCCCNCc1ccc(cc1Br)Br 207a_100015189416_100012351556 [0,2,0,0,0,0|2,0,0]=4 30250 B14R1.774 FCCCNCc1ccc(cc1Br)Br 2230a_100015189416_200012351560 [0,2,0,0,0,0|2,0,0]=4 30251 B14R1.774 FCCCNCc1ccc(cc1Br)Br 270004a_100015189416_100012351556 [0,2,0,0,0,0|2,0,0]=4 30252 B14R1.774 FCCCNCc1ccc(cc1Br)Br 34a_100015189416_200012351560 [0,2,0,0,0,0|2,0,0]=4 30253 B14R1.774 FCCCNCc1ccc(cc1Br)Cl 207a_100015189416_100000687667 [0,2,0,0,0,0|2,0,0]=4 30254 B14R1.774 FCCCNCc1ccc(cc1Br)Cl 2230a_100015189416_100000755608 [0,2,0,0,0,0|2,0,0]=4 30255 B14R1.774 FCCCNCc1ccc(cc1Br)Cl 270004a_100015189416_100000687667 [0,2,0,0,0,0|2,0,0]=4 30256 B14R1.774 FCCCNCc1ccc(cc1Br)Cl 34a_100015189416_100000755608 [0,2,0,0,0,0|2,0,0]=4 30257 B14R1.774 FCCCNCc1ccc(cc1Br)Cl 34a_100102692131_100011934791 [0,2,0,0,0,0|2,0,0]=4 30258 B14R1.774 FCCCNCc1ccc(cc1Br)F 207a_100015189416_100000685661 [0,2,0,0,0,0|2,0,0]=4 30259 B14R1.774 FCCCNCc1ccc(cc1Br)F 2230a_100015189416_100000243222 [0,2,0,0,0,0|2,0,0]=4 30260 B14R1.774 FCCCNCc1ccc(cc1Br)F 270004a_100015189416_100000685661 [0,2,0,0,0,0|2,0,0]=4 30261 B14R1.774 FCCCNCc1ccc(cc1Br)F 34a_100000708791_100011934791 [0,2,0,0,0,0|2,0,0]=4 30262 B14R1.774 FCCCNCc1ccc(cc1Br)F 34a_100015189416_100000243222 [0,2,0,0,0,0|2,0,0]=4 30263 B14R1.774 FCCCNCc1ccc(cc1Br)I 207a_100015189416_100010185650 [0,2,0,0,0,0|2,0,0]=4 30264 B14R1.774 FCCCNCc1ccc(cc1Br)I 2230a_100015189416_100010146610 [0,2,0,0,0,0|2,0,0]=4 30265 B14R1.774 FCCCNCc1ccc(cc1Br)I 34a_100015189416_100010146610 [0,2,0,0,0,0|2,0,0]=4 30266 B14R1.774 FCCCNCc1ccc(cc1Cl)Br 207a_100015189416_100000764164 [0,2,0,0,0,0|2,0,0]=4 30267 B14R1.774 FCCCNCc1ccc(cc1Cl)Br 2230a_100015189416_100011740631 [0,2,0,0,0,0|2,0,0]=4 30268 B14R1.774 FCCCNCc1ccc(cc1Cl)Br 270004a_100015189416_100000764164 [0,2,0,0,0,0|2,0,0]=4 30269 B14R1.774 FCCCNCc1ccc(cc1Cl)Br 34a_100015189416_100011740631 [0,2,0,0,0,0|2,0,0]=4 30270 B14R1.774 FCCCNCc1ccc(cc1Cl)Br 34a_100020628970_100011934791 [0,2,0,0,0,0|2,0,0]=4 30271 B14R1.774 FCCCNCc1ccc(cc1Cl)Cl 207a_100015189416_100000188887 [0,2,0,0,0,0|2,0,0]=4 30272 B14R1.774 FCCCNCc1ccc(cc1Cl)Cl 2230a_100015189416_100000188473 [0,2,0,0,0,0|2,0,0]=4 30273 B14R1.774 FCCCNCc1ccc(cc1Cl)Cl 270004a_100015189416_100000188887 [0,2,0,0,0,0|2,0,0]=4 30274 B14R1.774 FCCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100011934791 [0,2,0,0,0,0|2,0,0]=4 30275 B14R1.774 FCCCNCc1ccc(cc1Cl)Cl 34a_100015189416_100000188473 [0,2,0,0,0,0|2,0,0]=4 30276 B14R1.774 FCCCNCc1ccc(cc1Cl)F 207a_100015189416_100000752949 [0,2,0,0,0,0|2,0,0]=4 30277 B14R1.774 FCCCNCc1ccc(cc1Cl)F 2230a_100015189416_100011216360 [0,2,0,0,0,0|2,0,0]=4 30278 B14R1.774 FCCCNCc1ccc(cc1Cl)F 270004a_100015189416_100000752949 [0,2,0,0,0,0|2,0,0]=4 30279 B14R1.774 FCCCNCc1ccc(cc1Cl)F 34a_100000174946_100011934791 [0,2,0,0,0,0|2,0,0]=4 30280 B14R1.774 FCCCNCc1ccc(cc1Cl)F 34a_100015189416_100011216360 [0,2,0,0,0,0|2,0,0]=4 30281 B14R1.774 FCCCNCc1ccc(cc1Cl)I 207a_100015189416_100000727542 [0,2,0,0,0,0|2,0,0]=4 30282 B14R1.774 FCCCNCc1ccc(cc1F)Br 207a_100015189416_100000211676 [0,2,0,0,0,0|2,0,0]=4 30283 B14R1.774 FCCCNCc1ccc(cc1F)Br 2230a_100015189416_100000211606 [0,2,0,0,0,0|2,0,0]=4 30284 B14R1.774 FCCCNCc1ccc(cc1F)Br 270004a_100015189416_100000211676 [0,2,0,0,0,0|2,0,0]=4 30285 B14R1.774 FCCCNCc1ccc(cc1F)Br 34a_100000754580_100011934791 [0,2,0,0,0,0|2,0,0]=4 30286 B14R1.774 FCCCNCc1ccc(cc1F)Br 34a_100015189416_100000211606 [0,2,0,0,0,0|2,0,0]=4 30287 B14R1.774 FCCCNCc1ccc(cc1F)Cl 207a_100015189416_100000697372 [0,2,0,0,0,0|2,0,0]=4 30288 B14R1.774 FCCCNCc1ccc(cc1F)Cl 2230a_100015189416_100000709361 [0,2,0,0,0,0|2,0,0]=4 30289 B14R1.774 FCCCNCc1ccc(cc1F)Cl 270004a_100015189416_100000697372 [0,2,0,0,0,0|2,0,0]=4 30290 B14R1.774 FCCCNCc1ccc(cc1F)Cl 34a_100000708496_100011934791 [0,2,0,0,0,0|2,0,0]=4 30291 B14R1.774 FCCCNCc1ccc(cc1F)Cl 34a_100015189416_100000709361 [0,2,0,0,0,0|2,0,0]=4 30292 B14R1.774 FCCCNCc1ccc(cc1F)F 207a_100015189416_100000211964 [0,2,0,0,0,0|2,0,0]=4 30293 B14R1.774 FCCCNCc1ccc(cc1F)F 2230a_100015189416_100000748237 [0,2,0,0,0,0|2,0,0]=4 30294 B14R1.774 FCCCNCc1ccc(cc1F)F 270004a_100015189416_100000211964 [0,2,0,0,0,0|2,0,0]=4 30295 B14R1.774 FCCCNCc1ccc(cc1F)F 34a_100000737868_100011934791 [0,2,0,0,0,0|2,0,0]=4 30296 B14R1.774 FCCCNCc1ccc(cc1F)F 34a_100015189416_100000748237 [0,2,0,0,0,0|2,0,0]=4 30297 B14R1.774 FCCCNCc1ccc(cc1F)I 207a_100015189416_100000050965 [0,2,0,0,0,0|2,0,0]=4 30298 B14R1.774 FCCCNCc1ccc(cc1F)I 2230a_100015189416_100010244991 [0,2,0,0,0,0|2,0,0]=4 30299 B14R1.774 FCCCNCc1ccc(cc1F)I 34a_100015189416_100010244991 [0,2,0,0,0,0|2,0,0]=4 30300 B14R1.774 FCCCNCc1ccc(cc1I)Br 207a_100015189416_100010146562 [0,2,0,0,0,0|2,0,0]=4 30301 B14R1.774 FCCCNCc1ccc(cc1I)Br 2230a_100015189416_100010146615 [0,2,0,0,0,0|2,0,0]=4 30302 B14R1.774 FCCCNCc1ccc(cc1I)Br 270004a_100015189416_100010146562 [0,2,0,0,0,0|2,0,0]=4 30303 B14R1.774 FCCCNCc1ccc(cc1I)Br 34a_100015189416_100010146615 [0,2,0,0,0,0|2,0,0]=4 30304 B14R1.774 FCCCNCc1ccc(cc1I)Cl 2230a_100015189416_100010254388 [0,2,0,0,0,0|2,0,0]=4 30305 B14R1.774 FCCCNCc1ccc(cc1I)Cl 34a_100015189416_100010254388 [0,2,0,0,0,0|2,0,0]=4 30306 B14R1.774 FCCCNCc1ccc(cc1I)F 207a_100015189416_100010254405 [0,2,0,0,0,0|2,0,0]=4 30307 B14R1.774 FCCCNCc1ccc(cc1I)F 2230a_100015189416_100012354799 [0,2,0,0,0,0|2,0,0]=4 30308 B14R1.774 FCCCNCc1ccc(cc1I)F 34a_100015189416_100012354799 [0,2,0,0,0,0|2,0,0]=4 30309 B14R1.774 FCCCOCc1ccc(cc1Br)Br 34a_100000759539_200012351560 [0,2,0,0,0,0|2,0,0]=4 30310 B14R1.774 FCCCOCc1ccc(cc1Br)Br 34a_100012357508_100011934791 [0,2,0,0,0,0|2,0,0]=4 30311 B14R1.774 FCCCOCc1ccc(cc1Br)Br 7a_100012357508_100011934791 [0,2,0,0,0,0|2,0,0]=4 30312 B14R1.774 FCCCOCc1ccc(cc1Br)Cl 34a_100000707881_100011934791 [0,2,0,0,0,0|2,0,0]=4 30313 B14R1.774 FCCCOCc1ccc(cc1Br)Cl 34a_100000759539_100000755608 [0,2,0,0,0,0|2,0,0]=4 30314 B14R1.774 FCCCOCc1ccc(cc1Br)Cl 7a_100000707881_100011934791 [0,2,0,0,0,0|2,0,0]=4 30315 B14R1.774 FCCCOCc1ccc(cc1Br)F 34a_100000744086_100011934791 [0,2,0,0,0,0|2,0,0]=4 30316 B14R1.774 FCCCOCc1ccc(cc1Br)F 34a_100000759539_100000243222 [0,2,0,0,0,0|2,0,0]=4 30317 B14R1.774 FCCCOCc1ccc(cc1Br)F 7a_100000744086_100011934791 [0,2,0,0,0,0|2,0,0]=4 30318 B14R1.774 FCCCOCc1ccc(cc1Br)I 34a_100000759539_100010146610 [0,2,0,0,0,0|2,0,0]=4 30319 B14R1.774 FCCCOCc1ccc(cc1Br)I 7a_100010240206_100011934791 [0,2,0,0,0,0|2,0,0]=4 30320 B14R1.774 FCCCOCc1ccc(cc1Cl)Br 34a_100000756401_100011934791 [0,2,0,0,0,0|2,0,0]=4 30321 B14R1.774 FCCCOCc1ccc(cc1Cl)Br 34a_100000759539_100011740631 [0,2,0,0,0,0|2,0,0]=4 30322 B14R1.774 FCCCOCc1ccc(cc1Cl)Br 7a_100000756401_100011934791 [0,2,0,0,0,0|2,0,0]=4 30323 B14R1.774 FCCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100011934791 [0,2,0,0,0,0|2,0,0]=4 30324 B14R1.774 FCCCOCc1ccc(cc1Cl)Cl 34a_100000759539_100000188473 [0,2,0,0,0,0|2,0,0]=4 30325 B14R1.774 FCCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011934791 [0,2,0,0,0,0|2,0,0]=4 30326 B14R1.774 FCCCOCc1ccc(cc1Cl)F 34a_100000759539_100011216360 [0,2,0,0,0,0|2,0,0]=4 30327 B14R1.774 FCCCOCc1ccc(cc1Cl)F 34a_100011219954_100011934791 [0,2,0,0,0,0|2,0,0]=4 30328 B14R1.774 FCCCOCc1ccc(cc1Cl)F 7a_100011219954_100011934791 [0,2,0,0,0,0|2,0,0]=4 30329 B14R1.774 FCCCOCc1ccc(cc1F)Br 34a_100000759539_100000211606 [0,2,0,0,0,0|2,0,0]=4 30330 B14R1.774 FCCCOCc1ccc(cc1F)Br 34a_100011191541_100011934791 [0,2,0,0,0,0|2,0,0]=4 30331 B14R1.774 FCCCOCc1ccc(cc1F)Br 7a_100011191541_100011934791 [0,2,0,0,0,0|2,0,0]=4 30332 B14R1.774 FCCCOCc1ccc(cc1F)Cl 34a_100000759539_100000709361 [0,2,0,0,0,0|2,0,0]=4 30333 B14R1.774 FCCCOCc1ccc(cc1F)Cl 34a_100011217562_100011934791 [0,2,0,0,0,0|2,0,0]=4 30334 B14R1.774 FCCCOCc1ccc(cc1F)Cl 7a_100011217562_100011934791 [0,2,0,0,0,0|2,0,0]=4 30335 B14R1.774 FCCCOCc1ccc(cc1F)F 34a_100000759539_100000748237 [0,2,0,0,0,0|2,0,0]=4 30336 B14R1.774 FCCCOCc1ccc(cc1F)F 34a_100011215441_100011934791 [0,2,0,0,0,0|2,0,0]=4 30337 B14R1.774 FCCCOCc1ccc(cc1F)F 7a_100011215441_100011934791 [0,2,0,0,0,0|2,0,0]=4 30338 B14R1.774 FCCCOCc1ccc(cc1F)I 34a_100000759539_100010244991 [0,2,0,0,0,0|2,0,0]=4 30339 B14R1.774 FCCCOCc1ccc(cc1F)I 34a_200010202041_100011934791 [0,2,0,0,0,0|2,0,0]=4 30340 B14R1.774 FCCCOCc1ccc(cc1F)I 7a_200010202041_100011934791 [0,2,0,0,0,0|2,0,0]=4 30341 B14R1.774 FCCCOCc1ccc(cc1I)Br 34a_100000759539_100010146615 [0,2,0,0,0,0|2,0,0]=4 30342 B14R1.774 FCCCOCc1ccc(cc1I)Br 7a_100010146605_100011934791 [0,2,0,0,0,0|2,0,0]=4 30343 B14R1.774 FCCCOCc1ccc(cc1I)Cl 34a_100000722340_100011934791 [0,2,0,0,0,0|2,0,0]=4 30344 B14R1.774 FCCCOCc1ccc(cc1I)Cl 34a_100000759539_100010254388 [0,2,0,0,0,0|2,0,0]=4 30345 B14R1.774 FCCCOCc1ccc(cc1I)Cl 7a_100000722340_100011934791 [0,2,0,0,0,0|2,0,0]=4 30346 B14R1.774 FCCCOCc1ccc(cc1I)F 34a_100000759539_100012354799 [0,2,0,0,0,0|2,0,0]=4 30347 B14R1.774 FCCCOCc1ccc(cc1I)F 34a_100011356828_100011934791 [0,2,0,0,0,0|2,0,0]=4 30348 B14R1.774 FCCCOCc1ccc(cc1I)F 7a_100011356828_100011934791 [0,2,0,0,0,0|2,0,0]=4 30349 B14R1.774 FCCCSCc1ccc(cc1Br)Br 62a_100011934791_200012351560 [0,2,0,0,0,0|2,0,0]=4 30350 B14R1.774 FCCCSCc1ccc(cc1Br)Br 62a_200012351560_100011934791 [0,2,0,0,0,0|2,0,0]=4 30351 B14R1.774 FCCCSCc1ccc(cc1Br)Cl 62a_100000755608_100011934791 [0,2,0,0,0,0|2,0,0]=4 30352 B14R1.774 FCCCSCc1ccc(cc1Br)Cl 62a_100011934791_100000755608 [0,2,0,0,0,0|2,0,0]=4 30353 B14R1.774 FCCCSCc1ccc(cc1Br)F 62a_100000243222_100011934791 [0,2,0,0,0,0|2,0,0]=4 30354 B14R1.774 FCCCSCc1ccc(cc1Br)F 62a_100011934791_100000243222 [0,2,0,0,0,0|2,0,0]=4 30355 B14R1.774 FCCCSCc1ccc(cc1Br)I 62a_100010146610_100011934791 [0,2,0,0,0,0|2,0,0]=4 30356 B14R1.774 FCCCSCc1ccc(cc1Br)I 62a_100011934791_100010146610 [0,2,0,0,0,0|2,0,0]=4 30357 B14R1.774 FCCCSCc1ccc(cc1Cl)Br 62a_100011740631_100011934791 [0,2,0,0,0,0|2,0,0]=4 30358 B14R1.774 FCCCSCc1ccc(cc1Cl)Br 62a_100011934791_100011740631 [0,2,0,0,0,0|2,0,0]=4 30359 B14R1.774 FCCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011934791 [0,2,0,0,0,0|2,0,0]=4 30360 B14R1.774 FCCCSCc1ccc(cc1Cl)Cl 62a_100011934791_100000188473 [0,2,0,0,0,0|2,0,0]=4 30361 B14R1.774 FCCCSCc1ccc(cc1Cl)F 62a_100000187853_100011934791 [0,2,0,0,0,0|2,0,0]=4 30362 B14R1.774 FCCCSCc1ccc(cc1Cl)F 62a_100011934791_100000187853 [0,2,0,0,0,0|2,0,0]=4 30363 B14R1.774 FCCCSCc1ccc(cc1F)Br 62a_100000211606_100011934791 [0,2,0,0,0,0|2,0,0]=4 30364 B14R1.774 FCCCSCc1ccc(cc1F)Br 62a_100011934791_100000211606 [0,2,0,0,0,0|2,0,0]=4 30365 B14R1.774 FCCCSCc1ccc(cc1F)Cl 62a_100000709361_100011934791 [0,2,0,0,0,0|2,0,0]=4 30366 B14R1.774 FCCCSCc1ccc(cc1F)Cl 62a_100011934791_100000709361 [0,2,0,0,0,0|2,0,0]=4 30367 B14R1.774 FCCCSCc1ccc(cc1F)F 62a_100000748237_100011934791 [0,2,0,0,0,0|2,0,0]=4 30368 B14R1.774 FCCCSCc1ccc(cc1F)F 62a_100011934791_100000748237 [0,2,0,0,0,0|2,0,0]=4 30369 B14R1.774 FCCCSCc1ccc(cc1F)I 62a_100010244991_100011934791 [0,2,0,0,0,0|2,0,0]=4 30370 B14R1.774 FCCCSCc1ccc(cc1F)I 62a_100011934791_100010244991 [0,2,0,0,0,0|2,0,0]=4 30371 B14R1.774 FCCCSCc1ccc(cc1I)Br 62a_100010146615_100011934791 [0,2,0,0,0,0|2,0,0]=4 30372 B14R1.774 FCCCSCc1ccc(cc1I)Br 62a_100011934791_100010146615 [0,2,0,0,0,0|2,0,0]=4 30373 B14R1.774 FCCCSCc1ccc(cc1I)Cl 62a_100010254388_100011934791 [0,2,0,0,0,0|2,0,0]=4 30374 B14R1.774 FCCCSCc1ccc(cc1I)Cl 62a_100011934791_100010254388 [0,2,0,0,0,0|2,0,0]=4 30375 B14R1.774 FCCCSCc1ccc(cc1I)F 62a_100011934791_100012354799 [0,2,0,0,0,0|2,0,0]=4 30376 B14R1.774 FCCCSCc1ccc(cc1I)F 62a_100012354799_100011934791 [0,2,0,0,0,0|2,0,0]=4 30377 B14R1.774 FCCNCCc1ccc(cc1Br)Cl 34a_100000724931_200012945151 [0,2,0,0,0,0|2,0,0]=4 30378 B14R1.774 FCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100011217306 [0,2,0,0,0,0|2,0,0]=4 30379 B14R1.774 FCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100011217306 [0,2,0,0,0,0|2,0,0]=4 30380 B14R1.774 FCCNCCc1ccc(cc1Cl)Cl 34a_100000724931_200012161198 [0,2,0,0,0,0|2,0,0]=4 30381 B14R1.774 FCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100011217306 [0,2,0,0,0,0|2,0,0]=4 30382 B14R1.774 FCCNCCc1ccc(cc1F)Cl 34a_103496529009_100011217306 [0,2,0,0,0,0|2,0,0]=4 30383 B14R1.774 FCCNCCc1ccc(cc1F)F 2230a_100000754870_100011217306 [0,2,0,0,0,0|2,0,0]=4 30384 B14R1.774 FCCNCCc1ccc(cc1F)F 34a_100000754870_100011217306 [0,2,0,0,0,0|2,0,0]=4 30385 B14R1.774 FCCOCCc1ccc(cc1Cl)Br 34a_100013445822_100011217306 [0,2,0,0,0,0|2,0,0]=4 30386 B14R1.774 FCCOCCc1ccc(cc1Cl)Br 7a_100013445822_100011217306 [0,2,0,0,0,0|2,0,0]=4 30387 B14R1.774 FCCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100011217306 [0,2,0,0,0,0|2,0,0]=4 30388 B14R1.774 FCCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100011217306 [0,2,0,0,0,0|2,0,0]=4 30389 B14R1.774 FCCOCCc1ccc(cc1Cl)F 34a_100011962860_100011217306 [0,2,0,0,0,0|2,0,0]=4 30390 B14R1.774 FCCOCCc1ccc(cc1Cl)F 7a_100011962860_100011217306 [0,2,0,0,0,0|2,0,0]=4 30391 B14R1.774 FCCOCCc1ccc(cc1F)Br 34a_100011962869_100011217306 [0,2,0,0,0,0|2,0,0]=4 30392 B14R1.774 FCCOCCc1ccc(cc1F)Br 7a_100011962869_100011217306 [0,2,0,0,0,0|2,0,0]=4 30393 B14R1.774 FCCOCCc1ccc(cc1F)F 34a_100000697962_100011217306 [0,2,0,0,0,0|2,0,0]=4 30394 B14R1.774 FCCOCCc1ccc(cc1F)F 7a_100000697962_100011217306 [0,2,0,0,0,0|2,0,0]=4 30395 B14R1.774 FCCSCCc1ccc(cc1Br)Cl 62a_100011217306_200012945151 [0,2,0,0,0,0|2,0,0]=4 30396 B14R1.774 FCCSCCc1ccc(cc1Br)Cl 62a_200012945151_100011217306 [0,2,0,0,0,0|2,0,0]=4 30397 B14R1.774 FCCSCCc1ccc(cc1Cl)Cl 62a_100011217306_200012161198 [0,2,0,0,0,0|2,0,0]=4 30398 B14R1.774 FCCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100011217306 [0,2,0,0,0,0|2,0,0]=4 30399 B14R1.774 FCOCCCc1ccc(cc1Cl)Cl 34a_200011713141_100015361967 [0,2,0,0,0,0|2,0,0]=4 30400 B14R1.774 FCOCCCc1ccc(cc1Cl)Cl 7a_200011713141_100015361967 [0,2,0,0,0,0|2,0,0]=4 30401 B14R1.774 Fc1cc(ccc1COCCCBr)Br 34a_100011217188_100000211606 [0,2,0,0,0,0|2,0,0]=4 30402 B14R1.774 Fc1cc(ccc1COCCCBr)Cl 34a_100011217188_100000709361 [0,2,0,0,0,0|2,0,0]=4 30403 B14R1.774 Fc1cc(ccc1COCCCBr)I 34a_100011217188_100010244991 [0,2,0,0,0,0|2,0,0]=4 30404 B14R1.774 Fc1cc(ccc1COCCCCl)Br 34a_100000230001_100000211606 [0,2,0,0,0,0|2,0,0]=4 30405 B14R1.774 Fc1cc(ccc1COCCCCl)Cl 34a_100000230001_100000709361 [0,2,0,0,0,0|2,0,0]=4 30406 B14R1.774 Fc1cc(ccc1COCCCCl)I 34a_100000230001_100010244991 [0,2,0,0,0,0|2,0,0]=4 30407 B14R1.774 Fc1ccc(c(c1)Br)COCCCBr 34a_100011217188_100000243222 [0,2,0,0,0,0|2,0,0]=4 30408 B14R1.774 Fc1ccc(c(c1)Br)COCCCCl 34a_100000230001_100000243222 [0,2,0,0,0,0|2,0,0]=4 30409 B14R1.774 Fc1ccc(c(c1)Cl)COCCCBr 34a_100011217188_100011216360 [0,2,0,0,0,0|2,0,0]=4 30410 B14R1.774 Fc1ccc(c(c1)Cl)COCCCCl 34a_100000230001_100011216360 [0,2,0,0,0,0|2,0,0]=4 30411 B14R1.774 Fc1ccc(c(c1)F)COCCCBr 34a_100011217188_100000748237 [0,2,0,0,0,0|2,0,0]=4 30412 B14R1.774 Fc1ccc(c(c1)F)COCCCCl 34a_100000230001_100000748237 [0,2,0,0,0,0|2,0,0]=4 30413 B14R1.774 Fc1ccc(c(c1)I)COCCCBr 34a_100011217188_100012354799 [0,2,0,0,0,0|2,0,0]=4 30414 B14R1.774 Fc1ccc(c(c1)I)COCCCCl 34a_100000230001_100012354799 [0,2,0,0,0,0|2,0,0]=4 30415 B14R1.774 NCCCOCc1ccc(cc1Br)Br 34a_100000182051_200012351560 [0,2,0,0,0,0|2,0,0]=4 30416 B14R1.774 NCCCOCc1ccc(cc1Br)Cl 34a_100000182051_100000755608 [0,2,0,0,0,0|2,0,0]=4 30417 B14R1.774 NCCCOCc1ccc(cc1Br)F 34a_100000182051_100000243222 [0,2,0,0,0,0|2,0,0]=4 30418 B14R1.774 NCCCOCc1ccc(cc1Br)I 34a_100000182051_100010146610 [0,2,0,0,0,0|2,0,0]=4 30419 B14R1.774 NCCCOCc1ccc(cc1Cl)Br 34a_100000182051_100011740631 [0,2,0,0,0,0|2,0,0]=4 30420 B14R1.774 NCCCOCc1ccc(cc1Cl)Cl 34a_100000182051_100000188473 [0,2,0,0,0,0|2,0,0]=4 30421 B14R1.774 NCCCOCc1ccc(cc1Cl)F 34a_100000182051_100011216360 [0,2,0,0,0,0|2,0,0]=4 30422 B14R1.774 NCCCOCc1ccc(cc1F)Br 34a_100000182051_100000211606 [0,2,0,0,0,0|2,0,0]=4 30423 B14R1.774 NCCCOCc1ccc(cc1F)Cl 34a_100000182051_100000709361 [0,2,0,0,0,0|2,0,0]=4 30424 B14R1.774 NCCCOCc1ccc(cc1F)F 34a_100000182051_100000748237 [0,2,0,0,0,0|2,0,0]=4 30425 B14R1.774 NCCCOCc1ccc(cc1F)I 34a_100000182051_100010244991 [0,2,0,0,0,0|2,0,0]=4 30426 B14R1.774 NCCCOCc1ccc(cc1I)Br 34a_100000182051_100010146615 [0,2,0,0,0,0|2,0,0]=4 30427 B14R1.774 NCCCOCc1ccc(cc1I)Cl 34a_100000182051_100010254388 [0,2,0,0,0,0|2,0,0]=4 30428 B14R1.774 NCCCOCc1ccc(cc1I)F 34a_100000182051_100012354799 [0,2,0,0,0,0|2,0,0]=4 30429 B14R1.774 NCCOCCc1ccc(cc1Br)Cl 34a_100000210304_200012945151 [0,2,0,0,0,0|2,0,0]=4 30430 B14R1.774 NCCOCCc1ccc(cc1Cl)Cl 34a_100000210304_200012161198 [0,2,0,0,0,0|2,0,0]=4 30431 B14R1.774 Nc1[nH]c(=O)ccc1SCCCCO 62a_100009884077_100000210776 [0,2,0,0,0,0|2,0,0]=4 30432 B14R1.774 Nc1cc(c(cn1)SCCCCO)Br 62a_100000210776_100010074611 [0,2,0,0,0,0|2,0,0]=4 30433 B14R1.774 Nc1cc(c(cn1)SCCCCO)Br 62a_100010074611_100000210776 [0,2,0,0,0,0|2,0,0]=4 30434 B14R1.774 Nc1cc(c(cn1)SCCCCO)Cl 62a_100000210776_100000694920 [0,2,0,0,0,0|2,0,0]=4 30435 B14R1.774 Nc1cc(c(cn1)SCCCCO)Cl 62a_100000694920_100000210776 [0,2,0,0,0,0|2,0,0]=4 30436 B14R1.774 Nc1cc(c(cn1)SCCCCO)F 62a_100000210776_100009844730 [0,2,0,0,0,0|2,0,0]=4 30437 B14R1.774 Nc1cc(c(cn1)SCCCCO)F 62a_100009844730_100000210776 [0,2,0,0,0,0|2,0,0]=4 30438 B14R1.774 Nc1cc(c(cn1)SCCCCO)N 62a_100000210776_200009857908 [0,2,0,0,0,0|2,0,0]=4 30439 B14R1.774 Nc1cc(c(cn1)SCCCCO)N 62a_200009857908_100000210776 [0,2,0,0,0,0|2,0,0]=4 30440 B14R1.774 Nc1cc(ccc1COCCCF)Br 34a_100000718831_100011934791 [0,2,0,0,0,0|2,0,0]=4 30441 B14R1.774 Nc1cc(ccc1COCCCF)Br 7a_100000718831_100011934791 [0,2,0,0,0,0|2,0,0]=4 30442 B14R1.774 Nc1cc(ccc1COCCCF)Cl 34a_100000238622_100011934791 [0,2,0,0,0,0|2,0,0]=4 30443 B14R1.774 Nc1cc(ccc1COCCCF)Cl 7a_100000238622_100011934791 [0,2,0,0,0,0|2,0,0]=4 30444 B14R1.774 Nc1cc(ccc1COCCCF)F 34a_100011996588_100011934791 [0,2,0,0,0,0|2,0,0]=4 30445 B14R1.774 Nc1cc(ccc1COCCCO)Br 34a_100000718831_100000230001 [0,2,0,0,0,0|1,0,0]=3 30446 B14R1.774 Nc1cc(ccc1COCCCO)Br 7a_100000718831_100011215043 [0,2,0,0,0,0|1,0,0]=3 30447 B14R1.774 Nc1cc(ccc1COCCCO)Cl 34a_100000238622_100000230001 [0,2,0,0,0,0|1,0,0]=3 30448 B14R1.774 Nc1cc(ccc1COCCCO)Cl 7a_100000238622_100011215043 [0,2,0,0,0,0|1,0,0]=3 30449 B14R1.774 Nc1cc(ccc1COCCCO)F 34a_100011996588_100000230001 [0,2,0,0,0,0|1,0,0]=3 30450 B14R1.774 Nc1cc(ccc1OCCCCF)Br 34a_100000752626_100000729493 [0,2,0,0,0,0|2,0,0]=4 30451 B14R1.774 Nc1cc(ccc1OCCCCF)Br 7a_100000752626_100000729493 [0,2,0,0,0,0|2,0,0]=4 30452 B14R1.774 Nc1cc(ccc1OCCCCF)Cl 34a_100000210500_100000729493 [0,2,0,0,0,0|2,0,0]=4 30453 B14R1.774 Nc1cc(ccc1OCCCCF)Cl 7a_100000210500_100000729493 [0,2,0,0,0,0|2,0,0]=4 30454 B14R1.774 Nc1cc(ccc1OCCCCF)F 34a_100000759472_100000729493 [0,2,0,0,0,0|2,0,0]=4 30455 B14R1.774 Nc1cc(ccc1OCCCCF)F 7a_100000759472_100000729493 [0,2,0,0,0,0|2,0,0]=4 30456 B14R1.774 Nc1cc(ccc1OCCCCF)I 34a_100000753495_100000729493 [0,2,0,0,0,0|2,0,0]=4 30457 B14R1.774 Nc1cc(ccc1OCCCCF)I 7a_100000753495_100000729493 [0,2,0,0,0,0|2,0,0]=4 30458 B14R1.774 Nc1cc(ccc1OCCCCO)Br 34a_100000752626_100011216708 [0,2,0,0,0,0|1,0,0]=3 30459 B14R1.774 Nc1cc(ccc1OCCCCO)Br 7a_100000752626_100000210776 [0,2,0,0,0,0|1,0,0]=3 30460 B14R1.774 Nc1cc(ccc1OCCCCO)Cl 34a_100000210500_100011216708 [0,2,0,0,0,0|1,0,0]=3 30461 B14R1.774 Nc1cc(ccc1OCCCCO)Cl 7a_100000210500_100000210776 [0,2,0,0,0,0|1,0,0]=3 30462 B14R1.774 Nc1cc(ccc1OCCCCO)F 34a_100000759472_100011216708 [0,2,0,0,0,0|1,0,0]=3 30463 B14R1.774 Nc1cc(ccc1OCCCCO)F 7a_100000759472_100000210776 [0,2,0,0,0,0|1,0,0]=3 30464 B14R1.774 Nc1cc(ccc1OCCCCO)I 34a_100000753495_100011216708 [0,2,0,0,0,0|1,0,0]=3 30465 B14R1.774 Nc1cc(ccc1OCCCCO)I 7a_100000753495_100000210776 [0,2,0,0,0,0|1,0,0]=3 30466 B14R1.774 Nc1cc(ccc1SCCCCF)Br 62a_100000729493_100000743836 [0,2,0,0,0,0|2,0,0]=4 30467 B14R1.774 Nc1cc(ccc1SCCCCF)Br 62a_100000743836_100000729493 [0,2,0,0,0,0|2,0,0]=4 30468 B14R1.774 Nc1cc(ccc1SCCCCF)Cl 62a_100000729493_100000761886 [0,2,0,0,0,0|2,0,0]=4 30469 B14R1.774 Nc1cc(ccc1SCCCCF)Cl 62a_100000761886_100000729493 [0,2,0,0,0,0|2,0,0]=4 30470 B14R1.774 Nc1cc(ccc1SCCCCF)F 62a_100000687223_100000729493 [0,2,0,0,0,0|2,0,0]=4 30471 B14R1.774 Nc1cc(ccc1SCCCCF)F 62a_100000729493_100000687223 [0,2,0,0,0,0|2,0,0]=4 30472 B14R1.774 Nc1cc(ccc1SCCCCF)O 62a_100000729493_100011999798 [0,2,0,0,0,0|2,0,0]=4 30473 B14R1.774 Nc1cc(ccc1SCCCCF)O 62a_100011999798_100000729493 [0,2,0,0,0,0|2,0,0]=4 30474 B14R1.774 Nc1cc(ccc1SCCCCO)Br 62a_100000210776_100000743836 [0,2,0,0,0,0|1,0,0]=3 30475 B14R1.774 Nc1cc(ccc1SCCCCO)Br 62a_100000743836_100000210776 [0,2,0,0,0,0|1,0,0]=3 30476 B14R1.774 Nc1cc(ccc1SCCCCO)Cl 62a_100000210776_100000761886 [0,2,0,0,0,0|1,0,0]=3 30477 B14R1.774 Nc1cc(ccc1SCCCCO)Cl 62a_100000761886_100000210776 [0,2,0,0,0,0|1,0,0]=3 30478 B14R1.774 Nc1cc(ccc1SCCCCO)F 62a_100000210776_100000687223 [0,2,0,0,0,0|1,0,0]=3 30479 B14R1.774 Nc1cc(ccc1SCCCCO)F 62a_100000687223_100000210776 [0,2,0,0,0,0|1,0,0]=3 30480 B14R1.774 Nc1cc(ccc1SCCCCO)O 62a_100000210776_100011999798 [0,2,0,0,0,0|1,0,0]=3 30481 B14R1.774 Nc1cc(ccc1SCCCCO)O 62a_100011999798_100000210776 [0,2,0,0,0,0|1,0,0]=3 30482 B14R1.774 Nc1cc(cnc1OCCCCO)Br 34a_100000743729_100011216708 [0,2,0,0,0,0|2,0,0]=4 30483 B14R1.774 Nc1cc(cnc1OCCCCO)Cl 34a_100011998249_100011216708 [0,2,0,0,0,0|2,0,0]=4 30484 B14R1.774 Nc1cc(cnc1SCCCCO)Br 62a_100000210776_100010090555 [0,2,0,0,0,0|2,0,0]=4 30485 B14R1.774 Nc1cc(cnc1SCCCCO)Br 62a_100010090555_100000210776 [0,2,0,0,0,0|2,0,0]=4 30486 B14R1.774 Nc1cc(cnc1SCCCCO)F 62a_100000210776_100009817643 [0,2,0,0,0,0|2,0,0]=4 30487 B14R1.774 Nc1cc(cnc1SCCCCO)F 62a_100009817643_100000210776 [0,2,0,0,0,0|2,0,0]=4 30488 B14R1.774 Nc1cc(ncc1COCCCO)Cl 34a_100009830438_100000230001 [0,2,0,0,0,0|2,0,0]=4 30489 B14R1.774 Nc1cc(ncc1OCCCCO)Br 34a_100009819941_100011216708 [0,2,0,0,0,0|2,0,0]=4 30490 B14R1.774 Nc1cc(ncc1OCCCCO)Br 7a_100009819941_100000210776 [0,2,0,0,0,0|2,0,0]=4 30491 B14R1.774 Nc1cc(ncc1SCCCCO)Cl 62a_100000210776_100010209552 [0,2,0,0,0,0|2,0,0]=4 30492 B14R1.774 Nc1cc(ncc1SCCCCO)Cl 62a_100010209552_100000210776 [0,2,0,0,0,0|2,0,0]=4 30493 B14R1.774 Nc1ccc(c(c1)Br)OCCCCF 34a_100011534360_100000729493 [0,2,0,0,0,0|2,0,0]=4 30494 B14R1.774 Nc1ccc(c(c1)Br)OCCCCF 7a_100011534360_100000729493 [0,2,0,0,0,0|2,0,0]=4 30495 B14R1.774 Nc1ccc(c(c1)Br)OCCCCO 34a_100011534360_100011216708 [0,2,0,0,0,0|1,0,0]=3 30496 B14R1.774 Nc1ccc(c(c1)Br)OCCCCO 7a_100011534360_100000210776 [0,2,0,0,0,0|1,0,0]=3 30497 B14R1.774 Nc1ccc(c(c1)Br)SCCCCF 62a_100000729493_100000750458 [0,2,0,0,0,0|2,0,0]=4 30498 B14R1.774 Nc1ccc(c(c1)Br)SCCCCF 62a_100000750458_100000729493 [0,2,0,0,0,0|2,0,0]=4 30499 B14R1.774 Nc1ccc(c(c1)Br)SCCCCO 62a_100000210776_100000750458 [0,2,0,0,0,0|1,0,0]=3 30500 B14R1.774 Nc1ccc(c(c1)Br)SCCCCO 62a_100000750458_100000210776 [0,2,0,0,0,0|1,0,0]=3 30501 B14R1.774 Nc1ccc(c(c1)Cl)COCCCF 34a_100000689119_100011934791 [0,2,0,0,0,0|2,0,0]=4 30502 B14R1.774 Nc1ccc(c(c1)Cl)COCCCO 34a_100000689119_100000230001 [0,2,0,0,0,0|1,0,0]=3 30503 B14R1.774 Nc1ccc(c(c1)Cl)OCCCCF 34a_100000744943_100000729493 [0,2,0,0,0,0|2,0,0]=4 30504 B14R1.774 Nc1ccc(c(c1)Cl)OCCCCF 7a_100000744943_100000729493 [0,2,0,0,0,0|2,0,0]=4 30505 B14R1.774 Nc1ccc(c(c1)Cl)OCCCCO 34a_100000744943_100011216708 [0,2,0,0,0,0|1,0,0]=3 30506 B14R1.774 Nc1ccc(c(c1)Cl)OCCCCO 7a_100000744943_100000210776 [0,2,0,0,0,0|1,0,0]=3 30507 B14R1.774 Nc1ccc(c(c1)Cl)SCCCCF 62a_100000729493_100000761885 [0,2,0,0,0,0|2,0,0]=4 30508 B14R1.774 Nc1ccc(c(c1)Cl)SCCCCF 62a_100000761885_100000729493 [0,2,0,0,0,0|2,0,0]=4 30509 B14R1.774 Nc1ccc(c(c1)Cl)SCCCCO 62a_100000210776_100000761885 [0,2,0,0,0,0|1,0,0]=3 30510 B14R1.774 Nc1ccc(c(c1)Cl)SCCCCO 62a_100000761885_100000210776 [0,2,0,0,0,0|1,0,0]=3 30511 B14R1.774 Nc1ccc(c(c1)F)OCCCCF 34a_100011220035_100000729493 [0,2,0,0,0,0|2,0,0]=4 30512 B14R1.774 Nc1ccc(c(c1)F)OCCCCF 7a_100011220035_100000729493 [0,2,0,0,0,0|2,0,0]=4 30513 B14R1.774 Nc1ccc(c(c1)F)OCCCCO 34a_100011220035_100011216708 [0,2,0,0,0,0|1,0,0]=3 30514 B14R1.774 Nc1ccc(c(c1)F)OCCCCO 7a_100011220035_100000210776 [0,2,0,0,0,0|1,0,0]=3 30515 B14R1.774 Nc1ccc(c(c1)F)SCCCCF 62a_100000729493_100011356925 [0,2,0,0,0,0|2,0,0]=4 30516 B14R1.774 Nc1ccc(c(c1)F)SCCCCF 62a_100011356925_100000729493 [0,2,0,0,0,0|2,0,0]=4 30517 B14R1.774 Nc1ccc(c(c1)F)SCCCCO 62a_100000210776_100011356925 [0,2,0,0,0,0|1,0,0]=3 30518 B14R1.774 Nc1ccc(c(c1)F)SCCCCO 62a_100011356925_100000210776 [0,2,0,0,0,0|1,0,0]=3 30519 B14R1.774 Nc1ccc(c(c1)N)OCCCCF 34a_100000725306_100000729493 [0,2,0,0,0,0|2,0,0]=4 30520 B14R1.774 Nc1ccc(c(c1)N)OCCCCO 34a_100000725306_100011216708 [0,2,0,0,0,0|1,0,0]=3 30521 B14R1.774 Nc1ccc(c(c1)N)SCCCCF 62a_100000729493_200012175722 [0,2,0,0,0,0|2,0,0]=4 30522 B14R1.774 Nc1ccc(c(c1)N)SCCCCF 62a_200012175722_100000729493 [0,2,0,0,0,0|2,0,0]=4 30523 B14R1.774 Nc1ccc(c(c1)N)SCCCCO 62a_100000210776_200012175722 [0,2,0,0,0,0|1,0,0]=3 30524 B14R1.774 Nc1ccc(c(c1)N)SCCCCO 62a_200012175722_100000210776 [0,2,0,0,0,0|1,0,0]=3 30525 B14R1.774 Nc1ccc(c(n1)Br)SCCCCO 62a_100000210776_100010734177 [0,2,0,0,0,0|2,0,0]=4 30526 B14R1.774 Nc1ccc(c(n1)Br)SCCCCO 62a_100010734177_100000210776 [0,2,0,0,0,0|2,0,0]=4 30527 B14R1.774 Nc1ccc(c(n1)Cl)SCCCCO 62a_100000210776_100010270343 [0,2,0,0,0,0|2,0,0]=4 30528 B14R1.774 Nc1ccc(c(n1)Cl)SCCCCO 62a_100010270343_100000210776 [0,2,0,0,0,0|2,0,0]=4 30529 B14R1.774 Nc1ccc(c(n1)F)SCCCCO 62a_100000210776_100009882772 [0,2,0,0,0,0|2,0,0]=4 30530 B14R1.774 Nc1ccc(c(n1)F)SCCCCO 62a_100009882772_100000210776 [0,2,0,0,0,0|2,0,0]=4 30531 B14R1.774 Nc1ccc(c(n1)N)SCCCCO 62a_100011356871_100000210776 [0,2,0,0,0,0|2,0,0]=4 30532 B14R1.774 Nc1cnc(c(c1)F)SCCCCO 62a_100000210776_100010280766 [0,2,0,0,0,0|2,0,0]=4 30533 B14R1.774 Nc1cnc(c(c1)F)SCCCCO 62a_100010280766_100000210776 [0,2,0,0,0,0|2,0,0]=4 30534 B14R1.774 Nc1cnc(c(c1)N)SCCCCO 62a_100000210776_200000093520 [0,2,0,0,0,0|2,0,0]=4 30535 B14R1.774 Nc1cnc(c(c1)N)SCCCCO 62a_200000093520_100000210776 [0,2,0,0,0,0|2,0,0]=4 30536 B14R1.774 Nc1nc(ccc1OCCCCO)Br 34a_100000685527_100011216708 [0,2,0,0,0,0|2,0,0]=4 30537 B14R1.774 Nc1nc(ccc1OCCCCO)Br 7a_100000685527_100000210776 [0,2,0,0,0,0|2,0,0]=4 30538 B14R1.774 Nc1nc(ccc1OCCCCO)Cl 34a_100000717809_100011216708 [0,2,0,0,0,0|2,0,0]=4 30539 B14R1.774 Nc1nc(ccc1OCCCCO)Cl 7a_100000717809_100000210776 [0,2,0,0,0,0|2,0,0]=4 30540 B14R1.774 Nc1nc(ccc1SCCCCO)Cl 62a_100000210776_100010171640 [0,2,0,0,0,0|2,0,0]=4 30541 B14R1.774 Nc1nc(ccc1SCCCCO)Cl 62a_100010171640_100000210776 [0,2,0,0,0,0|2,0,0]=4 30542 B14R1.774 Nc1nc(ccc1SCCCCO)F 62a_100000210776_100009854977 [0,2,0,0,0,0|2,0,0]=4 30543 B14R1.774 Nc1nc(ccc1SCCCCO)F 62a_100009854977_100000210776 [0,2,0,0,0,0|2,0,0]=4 30544 B14R1.774 O=c1cc(c(c[nH]1)SCCCCO)F 62a_100000210776_100015631685 [0,2,0,0,0,0|2,0,0]=4 30545 B14R1.774 O=c1cc(c(c[nH]1)SCCCCO)F 62a_100015631685_100000210776 [0,2,0,0,0,0|2,0,0]=4 30546 B14R1.774 OCCCCNc1ccc(cc1Br)Br 34a_100000211012_100011216708 [0,2,0,0,0,0|1,0,0]=3 30547 B14R1.774 OCCCCNc1ccc(cc1Br)Cl 34a_100000752454_100011216708 [0,2,0,0,0,0|1,0,0]=3 30548 B14R1.774 OCCCCNc1ccc(cc1Br)F 34a_100000738039_100011216708 [0,2,0,0,0,0|1,0,0]=3 30549 B14R1.774 OCCCCNc1ccc(cc1Br)O 34a_100012001276_100011216708 [0,2,0,0,0,0|1,0,0]=3 30550 B14R1.774 OCCCCNc1ccc(cc1Cl)Br 34a_100000211467_100011216708 [0,2,0,0,0,0|1,0,0]=3 30551 B14R1.774 OCCCCNc1ccc(cc1Cl)Cl 34a_100000185861_100011216708 [0,2,0,0,0,0|1,0,0]=3 30552 B14R1.774 OCCCCNc1ccc(cc1Cl)F 34a_100000212003_100011216708 [0,2,0,0,0,0|1,0,0]=3 30553 B14R1.774 OCCCCNc1ccc(cc1Cl)I 34a_100011218065_100011216708 [0,2,0,0,0,0|1,0,0]=3 30554 B14R1.774 OCCCCNc1ccc(cc1Cl)O 34a_100011215599_100011216708 [0,2,0,0,0,0|1,0,0]=3 30555 B14R1.774 OCCCCNc1ccc(cc1F)Br 34a_100000210722_100011216708 [0,2,0,0,0,0|1,0,0]=3 30556 B14R1.774 OCCCCNc1ccc(cc1F)Cl 34a_100000211020_100011216708 [0,2,0,0,0,0|1,0,0]=3 30557 B14R1.774 OCCCCNc1ccc(cc1F)F 34a_100000210720_100011216708 [0,2,0,0,0,0|1,0,0]=3 30558 B14R1.774 OCCCCNc1ccc(cc1F)I 34a_100011215594_100011216708 [0,2,0,0,0,0|1,0,0]=3 30559 B14R1.774 OCCCCNc1ccc(cc1F)O 34a_100000759473_100011216708 [0,2,0,0,0,0|1,0,0]=3 30560 B14R1.774 OCCCCNc1ccc(cc1I)Br 34a_100000187925_100011216708 [0,2,0,0,0,0|1,0,0]=3 30561 B14R1.774 OCCCCNc1ccc(cc1I)Cl 34a_100000761889_100011216708 [0,2,0,0,0,0|1,0,0]=3 30562 B14R1.774 OCCCCNc1ccc(cc1I)F 34a_100000760547_100011216708 [0,2,0,0,0,0|1,0,0]=3 30563 B14R1.774 OCCCCNc1ccc(cc1I)O 34a_100010084370_100011216708 [0,2,0,0,0,0|1,0,0]=3 30564 B14R1.774 OCCCCNc1ccc(cc1O)Br 34a_100000739049_100011216708 [0,2,0,0,0,0|1,0,0]=3 30565 B14R1.774 OCCCCNc1ccc(cc1O)Cl 34a_100000185728_100011216708 [0,2,0,0,0,0|1,0,0]=3 30566 B14R1.774 OCCCCNc1ccc(cc1O)F 34a_100000753323_100011216708 [0,2,0,0,0,0|1,0,0]=3 30567 B14R1.774 OCCCCNc1ccc(cc1O)O 34a_100000106777_100011216708 [0,2,0,0,0,0|1,0,0]=3 30568 B14R1.774 OCCCCOc1ccc(cc1Br)Br 34a_100000188717_100011216708 [0,2,0,0,0,0|1,0,0]=3 30569 B14R1.774 OCCCCOc1ccc(cc1Br)Br 7a_100000188717_100000210776 [0,2,0,0,0,0|1,0,0]=3 30570 B14R1.774 OCCCCOc1ccc(cc1Br)Cl 34a_100000211998_100011216708 [0,2,0,0,0,0|1,0,0]=3 30571 B14R1.774 OCCCCOc1ccc(cc1Br)Cl 7a_100000211998_100000210776 [0,2,0,0,0,0|1,0,0]=3 30572 B14R1.774 OCCCCOc1ccc(cc1Br)F 34a_100000211999_100011216708 [0,2,0,0,0,0|1,0,0]=3 30573 B14R1.774 OCCCCOc1ccc(cc1Br)F 7a_100000211999_100000210776 [0,2,0,0,0,0|1,0,0]=3 30574 B14R1.774 OCCCCOc1ccc(cc1Br)I 34a_100012361655_100011216708 [0,2,0,0,0,0|1,0,0]=3 30575 B14R1.774 OCCCCOc1ccc(cc1Br)I 7a_100012361655_100000210776 [0,2,0,0,0,0|1,0,0]=3 30576 B14R1.774 OCCCCOc1ccc(cc1Cl)Br 34a_100000186472_100011216708 [0,2,0,0,0,0|1,0,0]=3 30577 B14R1.774 OCCCCOc1ccc(cc1Cl)Br 7a_100000186472_100000210776 [0,2,0,0,0,0|1,0,0]=3 30578 B14R1.774 OCCCCOc1ccc(cc1Cl)Cl 34a_100015191787_100011216708 [0,2,0,0,0,0|1,0,0]=3 30579 B14R1.774 OCCCCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210776 [0,2,0,0,0,0|1,0,0]=3 30580 B14R1.774 OCCCCOc1ccc(cc1Cl)F 34a_100000212004_100011216708 [0,2,0,0,0,0|1,0,0]=3 30581 B14R1.774 OCCCCOc1ccc(cc1Cl)F 7a_100000212004_100000210776 [0,2,0,0,0,0|1,0,0]=3 30582 B14R1.774 OCCCCOc1ccc(cc1Cl)I 34a_100012360047_100011216708 [0,2,0,0,0,0|1,0,0]=3 30583 B14R1.774 OCCCCOc1ccc(cc1Cl)I 7a_100012360047_100000210776 [0,2,0,0,0,0|1,0,0]=3 30584 B14R1.774 OCCCCOc1ccc(cc1F)Br 34a_100000185481_100011216708 [0,2,0,0,0,0|1,0,0]=3 30585 B14R1.774 OCCCCOc1ccc(cc1F)Br 7a_100000185481_100000210776 [0,2,0,0,0,0|1,0,0]=3 30586 B14R1.774 OCCCCOc1ccc(cc1F)Cl 34a_100000230166_100011216708 [0,2,0,0,0,0|1,0,0]=3 30587 B14R1.774 OCCCCOc1ccc(cc1F)Cl 7a_100000230166_100000210776 [0,2,0,0,0,0|1,0,0]=3 30588 B14R1.774 OCCCCOc1ccc(cc1F)F 34a_100000230127_100011216708 [0,2,0,0,0,0|1,0,0]=3 30589 B14R1.774 OCCCCOc1ccc(cc1F)F 7a_100000230127_100000210776 [0,2,0,0,0,0|1,0,0]=3 30590 B14R1.774 OCCCCOc1ccc(cc1F)I 34a_100011356965_100011216708 [0,2,0,0,0,0|1,0,0]=3 30591 B14R1.774 OCCCCOc1ccc(cc1F)I 7a_100011356965_100000210776 [0,2,0,0,0,0|1,0,0]=3 30592 B14R1.774 OCCCCOc1ccc(cc1I)Br 34a_100012355227_100011216708 [0,2,0,0,0,0|1,0,0]=3 30593 B14R1.774 OCCCCOc1ccc(cc1I)Br 7a_100012355227_100000210776 [0,2,0,0,0,0|1,0,0]=3 30594 B14R1.774 OCCCCOc1ccc(cc1I)Cl 34a_100011356953_100011216708 [0,2,0,0,0,0|1,0,0]=3 30595 B14R1.774 OCCCCOc1ccc(cc1I)Cl 7a_100011356953_100000210776 [0,2,0,0,0,0|1,0,0]=3 30596 B14R1.774 OCCCCOc1ccc(cc1I)F 34a_100012355409_100011216708 [0,2,0,0,0,0|1,0,0]=3 30597 B14R1.774 OCCCCOc1ccc(cc1I)F 7a_100012355409_100000210776 [0,2,0,0,0,0|1,0,0]=3 30598 B14R1.774 OCCCCOc1ccc(cc1I)I 7a_100010001573_100000210776 [0,2,0,0,0,0|1,0,0]=3 30599 B14R1.774 OCCCCOc1ccc(nc1Br)Br 34a_100009999766_100011216708 [0,2,0,0,0,0|2,0,0]=4 30600 B14R1.774 OCCCCOc1ccc(nc1Br)Br 7a_100009999766_100000210776 [0,2,0,0,0,0|2,0,0]=4 30601 B14R1.774 OCCCCOc1ccc(nc1Br)Cl 34a_100010219353_100011216708 [0,2,0,0,0,0|2,0,0]=4 30602 B14R1.774 OCCCCOc1ccc(nc1Br)Cl 7a_100010219353_100000210776 [0,2,0,0,0,0|2,0,0]=4 30603 B14R1.774 OCCCCOc1ccc(nc1Br)F 34a_100009887730_100011216708 [0,2,0,0,0,0|2,0,0]=4 30604 B14R1.774 OCCCCOc1ccc(nc1Br)F 7a_100009887730_100000210776 [0,2,0,0,0,0|2,0,0]=4 30605 B14R1.774 OCCCCOc1ccc(nc1Br)I 34a_100000725334_100011216708 [0,2,0,0,0,0|2,0,0]=4 30606 B14R1.774 OCCCCOc1ccc(nc1Br)I 7a_100000725334_100000210776 [0,2,0,0,0,0|2,0,0]=4 30607 B14R1.774 OCCCCOc1ccc(nc1Cl)Br 34a_100010246206_100011216708 [0,2,0,0,0,0|2,0,0]=4 30608 B14R1.774 OCCCCOc1ccc(nc1Cl)Br 7a_100010246206_100000210776 [0,2,0,0,0,0|2,0,0]=4 30609 B14R1.774 OCCCCOc1ccc(nc1Cl)Cl 34a_100000101165_100011216708 [0,2,0,0,0,0|2,0,0]=4 30610 B14R1.774 OCCCCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210776 [0,2,0,0,0,0|2,0,0]=4 30611 B14R1.774 OCCCCOc1ccc(nc1Cl)I 34a_100000721234_100011216708 [0,2,0,0,0,0|2,0,0]=4 30612 B14R1.774 OCCCCOc1ccc(nc1Cl)I 7a_100000721234_100000210776 [0,2,0,0,0,0|2,0,0]=4 30613 B14R1.774 OCCCCOc1ccc(nc1F)Br 34a_100009819667_100011216708 [0,2,0,0,0,0|2,0,0]=4 30614 B14R1.774 OCCCCOc1ccc(nc1F)Br 7a_100009819667_100000210776 [0,2,0,0,0,0|2,0,0]=4 30615 B14R1.774 OCCCCOc1ccc(nc1F)Cl 34a_100009880201_100011216708 [0,2,0,0,0,0|2,0,0]=4 30616 B14R1.774 OCCCCOc1ccc(nc1F)Cl 7a_100009880201_100000210776 [0,2,0,0,0,0|2,0,0]=4 30617 B14R1.774 OCCCCOc1ccc(nc1F)F 34a_100000101184_100011216708 [0,2,0,0,0,0|2,0,0]=4 30618 B14R1.774 OCCCCOc1ccc(nc1F)F 7a_100000101184_100000210776 [0,2,0,0,0,0|2,0,0]=4 30619 B14R1.774 OCCCCOc1ccc(nc1I)Br 34a_100010253912_100011216708 [0,2,0,0,0,0|2,0,0]=4 30620 B14R1.774 OCCCCOc1ccc(nc1I)Br 7a_100010253912_100000210776 [0,2,0,0,0,0|2,0,0]=4 30621 B14R1.774 OCCCCOc1ccc(nc1I)Cl 34a_100000696390_100011216708 [0,2,0,0,0,0|2,0,0]=4 30622 B14R1.774 OCCCCOc1ccc(nc1I)Cl 7a_100000696390_100000210776 [0,2,0,0,0,0|2,0,0]=4 30623 B14R1.774 OCCCCOc1ccc(nc1I)F 34a_100010382442_100011216708 [0,2,0,0,0,0|2,0,0]=4 30624 B14R1.774 OCCCCOc1ccc(nc1I)F 7a_100010382442_100000210776 [0,2,0,0,0,0|2,0,0]=4 30625 B14R1.774 OCCCCOc1cnc(cc1Cl)Cl 34a_100009868576_100011216708 [0,2,0,0,0,0|2,0,0]=4 30626 B14R1.774 OCCCCOc1cnc(cc1Cl)Cl 7a_100009868576_100000210776 [0,2,0,0,0,0|2,0,0]=4 30627 B14R1.774 OCCCCOc1cnc(cc1F)F 34a_100009885687_100011216708 [0,2,0,0,0,0|2,0,0]=4 30628 B14R1.774 OCCCCOc1cnc(cc1F)F 7a_100009885687_100000210776 [0,2,0,0,0,0|2,0,0]=4 30629 B14R1.774 OCCCCOc1cnc(cc1I)Cl 34a_100000698892_100011216708 [0,2,0,0,0,0|2,0,0]=4 30630 B14R1.774 OCCCCOc1cnc(cc1I)Cl 7a_100000698892_100000210776 [0,2,0,0,0,0|2,0,0]=4 30631 B14R1.774 OCCCCOc1ncc(cc1Br)Br 34a_100000701035_100011216708 [0,2,0,0,0,0|2,0,0]=4 30632 B14R1.774 OCCCCOc1ncc(cc1Cl)Br 34a_100012339560_100011216708 [0,2,0,0,0,0|2,0,0]=4 30633 B14R1.774 OCCCCOc1ncc(cc1Cl)F 34a_100009847679_100011216708 [0,2,0,0,0,0|2,0,0]=4 30634 B14R1.774 OCCCCOc1ncc(cc1F)Cl 34a_100011998252_100011216708 [0,2,0,0,0,0|2,0,0]=4 30635 B14R1.774 OCCCCOc1ncc(cc1F)F 34a_100012025737_100011216708 [0,2,0,0,0,0|2,0,0]=4 30636 B14R1.774 OCCCCSc1ccc(cc1Br)Br 62a_100000210776_100011484698 [0,2,0,0,0,0|1,0,0]=3 30637 B14R1.774 OCCCCSc1ccc(cc1Br)Br 62a_100011484698_100000210776 [0,2,0,0,0,0|1,0,0]=3 30638 B14R1.774 OCCCCSc1ccc(cc1Br)Cl 62a_100000210776_100011219703 [0,2,0,0,0,0|1,0,0]=3 30639 B14R1.774 OCCCCSc1ccc(cc1Br)Cl 62a_100011219703_100000210776 [0,2,0,0,0,0|1,0,0]=3 30640 B14R1.774 OCCCCSc1ccc(cc1Br)F 62a_100000210776_100011217111 [0,2,0,0,0,0|1,0,0]=3 30641 B14R1.774 OCCCCSc1ccc(cc1Br)F 62a_100011217111_100000210776 [0,2,0,0,0,0|1,0,0]=3 30642 B14R1.774 OCCCCSc1ccc(cc1Br)O 62a_100000210776_100000701344 [0,2,0,0,0,0|1,0,0]=3 30643 B14R1.774 OCCCCSc1ccc(cc1Br)O 62a_100000701344_100000210776 [0,2,0,0,0,0|1,0,0]=3 30644 B14R1.774 OCCCCSc1ccc(cc1Cl)Br 62a_100000210776_100011216062 [0,2,0,0,0,0|1,0,0]=3 30645 B14R1.774 OCCCCSc1ccc(cc1Cl)Br 62a_100011216062_100000210776 [0,2,0,0,0,0|1,0,0]=3 30646 B14R1.774 OCCCCSc1ccc(cc1Cl)Cl 62a_100000210776_100000699841 [0,2,0,0,0,0|1,0,0]=3 30647 B14R1.774 OCCCCSc1ccc(cc1Cl)Cl 62a_100000699841_100000210776 [0,2,0,0,0,0|1,0,0]=3 30648 B14R1.774 OCCCCSc1ccc(cc1Cl)F 62a_100000210776_100000733362 [0,2,0,0,0,0|1,0,0]=3 30649 B14R1.774 OCCCCSc1ccc(cc1Cl)F 62a_100000733362_100000210776 [0,2,0,0,0,0|1,0,0]=3 30650 B14R1.774 OCCCCSc1ccc(cc1Cl)O 62a_100000047559_100000210776 [0,2,0,0,0,0|1,0,0]=3 30651 B14R1.774 OCCCCSc1ccc(cc1Cl)O 62a_100000210776_100000047559 [0,2,0,0,0,0|1,0,0]=3 30652 B14R1.774 OCCCCSc1ccc(cc1F)Br 62a_100000210776_100009814013 [0,2,0,0,0,0|1,0,0]=3 30653 B14R1.774 OCCCCSc1ccc(cc1F)Br 62a_100009814013_100000210776 [0,2,0,0,0,0|1,0,0]=3 30654 B14R1.774 OCCCCSc1ccc(cc1F)Cl 62a_100000210776_100011216042 [0,2,0,0,0,0|1,0,0]=3 30655 B14R1.774 OCCCCSc1ccc(cc1F)Cl 62a_100011216042_100000210776 [0,2,0,0,0,0|1,0,0]=3 30656 B14R1.774 OCCCCSc1ccc(cc1F)F 62a_100000210776_100000750030 [0,2,0,0,0,0|1,0,0]=3 30657 B14R1.774 OCCCCSc1ccc(cc1F)F 62a_100000750030_100000210776 [0,2,0,0,0,0|1,0,0]=3 30658 B14R1.774 OCCCCSc1ccc(cc1F)O 62a_100000210776_100000755031 [0,2,0,0,0,0|1,0,0]=3 30659 B14R1.774 OCCCCSc1ccc(cc1F)O 62a_100000755031_100000210776 [0,2,0,0,0,0|1,0,0]=3 30660 B14R1.774 OCCCCSc1ccc(cc1O)Br 62a_100000210776_100012344904 [0,2,0,0,0,0|1,0,0]=3 30661 B14R1.774 OCCCCSc1ccc(cc1O)Br 62a_100012344904_100000210776 [0,2,0,0,0,0|1,0,0]=3 30662 B14R1.774 OCCCCSc1ccc(cc1O)Cl 62a_100000050036_100000210776 [0,2,0,0,0,0|1,0,0]=3 30663 B14R1.774 OCCCCSc1ccc(cc1O)Cl 62a_100000210776_100000050036 [0,2,0,0,0,0|1,0,0]=3 30664 B14R1.774 OCCCCSc1ccc(cc1O)F 62a_100000210776_100000690578 [0,2,0,0,0,0|1,0,0]=3 30665 B14R1.774 OCCCCSc1ccc(cc1O)F 62a_100000690578_100000210776 [0,2,0,0,0,0|1,0,0]=3 30666 B14R1.774 OCCCCSc1ccc(cc1O)O 62a_100000210776_100009813921 [0,2,0,0,0,0|1,0,0]=3 30667 B14R1.774 OCCCCSc1ccc(nc1Cl)Br 62a_100000210776_100010246183 [0,2,0,0,0,0|2,0,0]=4 30668 B14R1.774 OCCCCSc1ccc(nc1Cl)Br 62a_100010246183_100000210776 [0,2,0,0,0,0|2,0,0]=4 30669 B14R1.774 OCCCCSc1ccc(nc1Cl)Cl 62a_100000210776_100000043682 [0,2,0,0,0,0|2,0,0]=4 30670 B14R1.774 OCCCCSc1ccc(nc1F)Cl 62a_100000210776_100010168078 [0,2,0,0,0,0|2,0,0]=4 30671 B14R1.774 OCCCCSc1ccc(nc1F)Cl 62a_100010168078_100000210776 [0,2,0,0,0,0|2,0,0]=4 30672 B14R1.774 OCCCCSc1ccc(nc1F)F 62a_100000070099_100000210776 [0,2,0,0,0,0|2,0,0]=4 30673 B14R1.774 OCCCCSc1ccc(nc1F)F 62a_100000210776_100000070099 [0,2,0,0,0,0|2,0,0]=4 30674 B14R1.774 OCCCCSc1ccc(nc1F)O 62a_100000210776_100009879308 [0,2,0,0,0,0|2,0,0]=4 30675 B14R1.774 OCCCCSc1ccc(nc1F)O 62a_100009879308_100000210776 [0,2,0,0,0,0|2,0,0]=4 30676 B14R1.774 OCCCCSc1cnc(cc1Br)F 62a_100000210776_100015451857 [0,2,0,0,0,0|2,0,0]=4 30677 B14R1.774 OCCCCSc1cnc(cc1Br)F 62a_100015451857_100000210776 [0,2,0,0,0,0|2,0,0]=4 30678 B14R1.774 OCCCCSc1cnc(cc1Cl)Br 62a_100000210776_100010381092 [0,2,0,0,0,0|2,0,0]=4 30679 B14R1.774 OCCCCSc1cnc(cc1Cl)Br 62a_100010381092_100000210776 [0,2,0,0,0,0|2,0,0]=4 30680 B14R1.774 OCCCCSc1cnc(cc1Cl)Cl 62a_100000210776_100010200927 [0,2,0,0,0,0|2,0,0]=4 30681 B14R1.774 OCCCCSc1cnc(cc1Cl)Cl 62a_100010200927_100000210776 [0,2,0,0,0,0|2,0,0]=4 30682 B14R1.774 OCCCCSc1cnc(cc1F)Cl 62a_100000210776_100010128100 [0,2,0,0,0,0|2,0,0]=4 30683 B14R1.774 OCCCCSc1cnc(cc1F)Cl 62a_100010128100_100000210776 [0,2,0,0,0,0|2,0,0]=4 30684 B14R1.774 OCCCCSc1ncc(cc1Br)Cl 62a_100000210776_100012154958 [0,2,0,0,0,0|2,0,0]=4 30685 B14R1.774 OCCCCSc1ncc(cc1Br)Cl 62a_100012154958_100000210776 [0,2,0,0,0,0|2,0,0]=4 30686 B14R1.774 OCCCCSc1ncc(cc1F)Br 62a_100000210776_100012348576 [0,2,0,0,0,0|2,0,0]=4 30687 B14R1.774 OCCCCSc1ncc(cc1F)Br 62a_100012348576_100000210776 [0,2,0,0,0,0|2,0,0]=4 30688 B14R1.774 OCCCCSc1ncc(cc1F)Cl 62a_100000210776_100012348686 [0,2,0,0,0,0|2,0,0]=4 30689 B14R1.774 OCCCCSc1ncc(cc1F)Cl 62a_100012348686_100000210776 [0,2,0,0,0,0|2,0,0]=4 30690 B14R1.774 OCCCCSc1ncc(cc1F)F 62a_100000210776_100011219543 [0,2,0,0,0,0|2,0,0]=4 30691 B14R1.774 OCCCCSc1ncc(cc1F)F 62a_100011219543_100000210776 [0,2,0,0,0,0|2,0,0]=4 30692 B14R1.774 OCCCCSc1ncc(cc1F)O 62a_100000210776_100000063512 [0,2,0,0,0,0|2,0,0]=4 30693 B14R1.774 OCCCCSc1ncc(cc1O)Br 62a_100000210776_100010210634 [0,2,0,0,0,0|2,0,0]=4 30694 B14R1.774 OCCCCSc1ncc(cc1O)Br 62a_100010210634_100000210776 [0,2,0,0,0,0|2,0,0]=4 30695 B14R1.774 OCCCCSc1ncc(cc1O)Cl 62a_100000210776_100010233512 [0,2,0,0,0,0|2,0,0]=4 30696 B14R1.774 OCCCCSc1ncc(cc1O)Cl 62a_100010233512_100000210776 [0,2,0,0,0,0|2,0,0]=4 30697 B14R1.774 OCCCCSc1ncc(cc1O)F 62a_100000210776_100000079967 [0,2,0,0,0,0|2,0,0]=4 30698 B14R1.774 OCCCCSc1ncc(cc1O)F 62a_100009820119_100000210776 [0,2,0,0,0,0|2,0,0]=4 30699 B14R1.774 OCCCNCc1ccc(cc1Br)Br 207a_100000182051_100012351556 [0,2,0,0,0,0|1,0,0]=3 30700 B14R1.774 OCCCNCc1ccc(cc1Br)Br 270004a_100000182051_100012351556 [0,2,0,0,0,0|1,0,0]=3 30701 B14R1.774 OCCCNCc1ccc(cc1Br)Cl 207a_100000182051_100000687667 [0,2,0,0,0,0|1,0,0]=3 30702 B14R1.774 OCCCNCc1ccc(cc1Br)Cl 270004a_100000182051_100000687667 [0,2,0,0,0,0|1,0,0]=3 30703 B14R1.774 OCCCNCc1ccc(cc1Br)Cl 34a_100102692131_100000230001 [0,2,0,0,0,0|1,0,0]=3 30704 B14R1.774 OCCCNCc1ccc(cc1Br)F 207a_100000182051_100000685661 [0,2,0,0,0,0|1,0,0]=3 30705 B14R1.774 OCCCNCc1ccc(cc1Br)F 270004a_100000182051_100000685661 [0,2,0,0,0,0|1,0,0]=3 30706 B14R1.774 OCCCNCc1ccc(cc1Br)F 34a_100000708791_100000230001 [0,2,0,0,0,0|1,0,0]=3 30707 B14R1.774 OCCCNCc1ccc(cc1Br)I 207a_100000182051_100010185650 [0,2,0,0,0,0|1,0,0]=3 30708 B14R1.774 OCCCNCc1ccc(cc1Cl)Br 207a_100000182051_100000764164 [0,2,0,0,0,0|1,0,0]=3 30709 B14R1.774 OCCCNCc1ccc(cc1Cl)Br 270004a_100000182051_100000764164 [0,2,0,0,0,0|1,0,0]=3 30710 B14R1.774 OCCCNCc1ccc(cc1Cl)Br 34a_100020628970_100000230001 [0,2,0,0,0,0|1,0,0]=3 30711 B14R1.774 OCCCNCc1ccc(cc1Cl)Cl 207a_100000182051_100000188887 [0,2,0,0,0,0|1,0,0]=3 30712 B14R1.774 OCCCNCc1ccc(cc1Cl)Cl 270004a_100000182051_100000188887 [0,2,0,0,0,0|1,0,0]=3 30713 B14R1.774 OCCCNCc1ccc(cc1Cl)Cl 34a_100000174880_100000230001 [0,2,0,0,0,0|1,0,0]=3 30714 B14R1.774 OCCCNCc1ccc(cc1Cl)F 207a_100000182051_100000752949 [0,2,0,0,0,0|1,0,0]=3 30715 B14R1.774 OCCCNCc1ccc(cc1Cl)F 270004a_100000182051_100000752949 [0,2,0,0,0,0|1,0,0]=3 30716 B14R1.774 OCCCNCc1ccc(cc1Cl)F 34a_100000174946_100000230001 [0,2,0,0,0,0|1,0,0]=3 30717 B14R1.774 OCCCNCc1ccc(cc1Cl)I 207a_100000182051_100000727542 [0,2,0,0,0,0|1,0,0]=3 30718 B14R1.774 OCCCNCc1ccc(cc1Cl)O 34a_200161156549_100000230001 [0,2,0,0,0,0|1,0,0]=3 30719 B14R1.774 OCCCNCc1ccc(cc1F)Br 207a_100000182051_100000211676 [0,2,0,0,0,0|1,0,0]=3 30720 B14R1.774 OCCCNCc1ccc(cc1F)Br 270004a_100000182051_100000211676 [0,2,0,0,0,0|1,0,0]=3 30721 B14R1.774 OCCCNCc1ccc(cc1F)Br 34a_100000754580_100000230001 [0,2,0,0,0,0|1,0,0]=3 30722 B14R1.774 OCCCNCc1ccc(cc1F)Cl 207a_100000182051_100000697372 [0,2,0,0,0,0|1,0,0]=3 30723 B14R1.774 OCCCNCc1ccc(cc1F)Cl 270004a_100000182051_100000697372 [0,2,0,0,0,0|1,0,0]=3 30724 B14R1.774 OCCCNCc1ccc(cc1F)Cl 34a_100000708496_100000230001 [0,2,0,0,0,0|1,0,0]=3 30725 B14R1.774 OCCCNCc1ccc(cc1F)F 207a_100000182051_100000211964 [0,2,0,0,0,0|1,0,0]=3 30726 B14R1.774 OCCCNCc1ccc(cc1F)F 270004a_100000182051_100000211964 [0,2,0,0,0,0|1,0,0]=3 30727 B14R1.774 OCCCNCc1ccc(cc1F)F 34a_100000737868_100000230001 [0,2,0,0,0,0|1,0,0]=3 30728 B14R1.774 OCCCNCc1ccc(cc1F)I 207a_100000182051_100000050965 [0,2,0,0,0,0|1,0,0]=3 30729 B14R1.774 OCCCNCc1ccc(cc1I)Br 207a_100000182051_100010146562 [0,2,0,0,0,0|1,0,0]=3 30730 B14R1.774 OCCCNCc1ccc(cc1I)Br 270004a_100000182051_100010146562 [0,2,0,0,0,0|1,0,0]=3 30731 B14R1.774 OCCCNCc1ccc(cc1I)F 207a_100000182051_100010254405 [0,2,0,0,0,0|1,0,0]=3 30732 B14R1.774 OCCCNCc1cnc(cc1Br)Cl 270004a_100000182051_100009892795 [0,2,0,0,0,0|2,0,0]=4 30733 B14R1.774 OCCCNCc1ncc(cc1Br)Br 207a_100000182051_100000688198 [0,2,0,0,0,0|2,0,0]=4 30734 B14R1.774 OCCCNCc1ncc(cc1Br)Br 270004a_100000182051_100000688198 [0,2,0,0,0,0|2,0,0]=4 30735 B14R1.774 OCCCNCc1ncc(cc1Br)Cl 207a_100000182051_100010064872 [0,2,0,0,0,0|2,0,0]=4 30736 B14R1.774 OCCCNCc1ncc(cc1Br)Cl 270004a_100000182051_100010064872 [0,2,0,0,0,0|2,0,0]=4 30737 B14R1.774 OCCCNCc1ncc(cc1Cl)Br 207a_100000182051_100009814801 [0,2,0,0,0,0|2,0,0]=4 30738 B14R1.774 OCCCNCc1ncc(cc1Cl)Br 270004a_100000182051_100009814801 [0,2,0,0,0,0|2,0,0]=4 30739 B14R1.774 OCCCNCc1ncc(cc1Cl)Br 34a_100025703182_100000230001 [0,2,0,0,0,0|2,0,0]=4 30740 B14R1.774 OCCCNCc1ncc(cc1Cl)Cl 207a_100000182051_100011361609 [0,2,0,0,0,0|2,0,0]=4 30741 B14R1.774 OCCCNCc1ncc(cc1Cl)Cl 270004a_100000182051_100011361609 [0,2,0,0,0,0|2,0,0]=4 30742 B14R1.774 OCCCNCc1ncc(cc1Cl)F 34a_100020639648_100000230001 [0,2,0,0,0,0|2,0,0]=4 30743 B14R1.774 OCCCNCc1ncc(cc1F)Br 207a_100000182051_100010180630 [0,2,0,0,0,0|2,0,0]=4 30744 B14R1.774 OCCCNCc1ncc(cc1F)Br 270004a_100000182051_100010180630 [0,2,0,0,0,0|2,0,0]=4 30745 B14R1.774 OCCCNCc1ncc(cc1F)Br 34a_100015188786_100000230001 [0,2,0,0,0,0|2,0,0]=4 30746 B14R1.774 OCCCNCc1ncc(cc1F)Cl 207a_100000182051_100009858488 [0,2,0,0,0,0|2,0,0]=4 30747 B14R1.774 OCCCNCc1ncc(cc1F)Cl 270004a_100000182051_100009858488 [0,2,0,0,0,0|2,0,0]=4 30748 B14R1.774 OCCCNCc1ncc(cc1F)F 34a_100015188779_100000230001 [0,2,0,0,0,0|2,0,0]=4 30749 B14R1.774 OCCCOCc1ccc(cc1Br)Br 34a_100012357508_100000230001 [0,2,0,0,0,0|1,0,0]=3 30750 B14R1.774 OCCCOCc1ccc(cc1Br)Br 7a_100012357508_100011215043 [0,2,0,0,0,0|1,0,0]=3 30751 B14R1.774 OCCCOCc1ccc(cc1Br)Cl 34a_100000707881_100000230001 [0,2,0,0,0,0|1,0,0]=3 30752 B14R1.774 OCCCOCc1ccc(cc1Br)Cl 7a_100000707881_100011215043 [0,2,0,0,0,0|1,0,0]=3 30753 B14R1.774 OCCCOCc1ccc(cc1Br)F 34a_100000744086_100000230001 [0,2,0,0,0,0|1,0,0]=3 30754 B14R1.774 OCCCOCc1ccc(cc1Br)F 7a_100000744086_100011215043 [0,2,0,0,0,0|1,0,0]=3 30755 B14R1.774 OCCCOCc1ccc(cc1Br)I 7a_100010240206_100011215043 [0,2,0,0,0,0|1,0,0]=3 30756 B14R1.774 OCCCOCc1ccc(cc1Cl)Br 34a_100000756401_100000230001 [0,2,0,0,0,0|1,0,0]=3 30757 B14R1.774 OCCCOCc1ccc(cc1Cl)Br 7a_100000756401_100011215043 [0,2,0,0,0,0|1,0,0]=3 30758 B14R1.774 OCCCOCc1ccc(cc1Cl)Cl 34a_100000215721_100000230001 [0,2,0,0,0,0|1,0,0]=3 30759 B14R1.774 OCCCOCc1ccc(cc1Cl)Cl 7a_100000215721_100011215043 [0,2,0,0,0,0|1,0,0]=3 30760 B14R1.774 OCCCOCc1ccc(cc1Cl)F 34a_100011219954_100000230001 [0,2,0,0,0,0|1,0,0]=3 30761 B14R1.774 OCCCOCc1ccc(cc1Cl)F 7a_100011219954_100011215043 [0,2,0,0,0,0|1,0,0]=3 30762 B14R1.774 OCCCOCc1ccc(cc1F)Br 34a_100011191541_100000230001 [0,2,0,0,0,0|1,0,0]=3 30763 B14R1.774 OCCCOCc1ccc(cc1F)Br 7a_100011191541_100011215043 [0,2,0,0,0,0|1,0,0]=3 30764 B14R1.774 OCCCOCc1ccc(cc1F)Cl 34a_100011217562_100000230001 [0,2,0,0,0,0|1,0,0]=3 30765 B14R1.774 OCCCOCc1ccc(cc1F)Cl 7a_100011217562_100011215043 [0,2,0,0,0,0|1,0,0]=3 30766 B14R1.774 OCCCOCc1ccc(cc1F)F 34a_100011215441_100000230001 [0,2,0,0,0,0|1,0,0]=3 30767 B14R1.774 OCCCOCc1ccc(cc1F)F 7a_100011215441_100011215043 [0,2,0,0,0,0|1,0,0]=3 30768 B14R1.774 OCCCOCc1ccc(cc1F)I 34a_200010202041_100000230001 [0,2,0,0,0,0|1,0,0]=3 30769 B14R1.774 OCCCOCc1ccc(cc1F)I 7a_200010202041_100011215043 [0,2,0,0,0,0|1,0,0]=3 30770 B14R1.774 OCCCOCc1ccc(cc1I)Br 7a_100010146605_100011215043 [0,2,0,0,0,0|1,0,0]=3 30771 B14R1.774 OCCCOCc1ccc(cc1I)Cl 34a_100000722340_100000230001 [0,2,0,0,0,0|1,0,0]=3 30772 B14R1.774 OCCCOCc1ccc(cc1I)Cl 7a_100000722340_100011215043 [0,2,0,0,0,0|1,0,0]=3 30773 B14R1.774 OCCCOCc1ccc(cc1I)F 34a_100011356828_100000230001 [0,2,0,0,0,0|1,0,0]=3 30774 B14R1.774 OCCCOCc1ccc(cc1I)F 7a_100011356828_100011215043 [0,2,0,0,0,0|1,0,0]=3 30775 B14R1.774 OCCCOCc1ccc(nc1Br)Br 34a_200010005763_100000230001 [0,2,0,0,0,0|2,0,0]=4 30776 B14R1.774 OCCCOCc1ccc(nc1Br)Br 7a_200010005763_100011215043 [0,2,0,0,0,0|2,0,0]=4 30777 B14R1.774 OCCCOCc1ccc(nc1Cl)Cl 34a_100000720492_100000230001 [0,2,0,0,0,0|2,0,0]=4 30778 B14R1.774 OCCCOCc1ccc(nc1Cl)Cl 7a_100000720492_100011215043 [0,2,0,0,0,0|2,0,0]=4 30779 B14R1.774 OCCCOCc1ccc(nc1F)Br 34a_100010065253_100000230001 [0,2,0,0,0,0|2,0,0]=4 30780 B14R1.774 OCCCOCc1ccc(nc1F)Br 7a_100010065253_100011215043 [0,2,0,0,0,0|2,0,0]=4 30781 B14R1.774 OCCCOCc1ccc(nc1F)Cl 34a_100009870654_100000230001 [0,2,0,0,0,0|2,0,0]=4 30782 B14R1.774 OCCCOCc1ccc(nc1F)Cl 7a_100009870654_100011215043 [0,2,0,0,0,0|2,0,0]=4 30783 B14R1.774 OCCCOCc1cnc(cc1Cl)Cl 34a_100000702863_100000230001 [0,2,0,0,0,0|2,0,0]=4 30784 B14R1.774 OCCCOCc1cnc(cc1Cl)Cl 7a_100000702863_100011215043 [0,2,0,0,0,0|2,0,0]=4 30785 B14R1.774 OCCCOCc1ncc(cc1Br)Br 34a_100012354961_100000230001 [0,2,0,0,0,0|2,0,0]=4 30786 B14R1.774 OCCCOCc1ncc(cc1Br)Br 7a_100012354961_100011215043 [0,2,0,0,0,0|2,0,0]=4 30787 B14R1.774 OCCCOCc1ncc(cc1Br)Cl 34a_100010065237_100000230001 [0,2,0,0,0,0|2,0,0]=4 30788 B14R1.774 OCCCOCc1ncc(cc1Br)Cl 7a_100010065237_100011215043 [0,2,0,0,0,0|2,0,0]=4 30789 B14R1.774 OCCCOCc1ncc(cc1Cl)Br 34a_100010065239_100000230001 [0,2,0,0,0,0|2,0,0]=4 30790 B14R1.774 OCCCOCc1ncc(cc1Cl)Br 7a_100010065239_100011215043 [0,2,0,0,0,0|2,0,0]=4 30791 B14R1.774 OCCCOCc1ncc(cc1Cl)Cl 34a_100103146734_100000230001 [0,2,0,0,0,0|2,0,0]=4 30792 B14R1.774 OCCCOCc1ncc(cc1Cl)Cl 7a_100103146734_100011215043 [0,2,0,0,0,0|2,0,0]=4 30793 B14R1.774 OCCCOCc1ncc(cc1F)Br 34a_100010065252_100000230001 [0,2,0,0,0,0|2,0,0]=4 30794 B14R1.774 OCCCOCc1ncc(cc1F)Br 7a_100010065252_100011215043 [0,2,0,0,0,0|2,0,0]=4 30795 B14R1.774 OCCCOCc1ncc(cc1F)Cl 34a_100009885607_100000230001 [0,2,0,0,0,0|2,0,0]=4 30796 B14R1.774 OCCCOCc1ncc(cc1F)Cl 7a_100009885607_100011215043 [0,2,0,0,0,0|2,0,0]=4 30797 B14R1.774 OCCCOCc1ncc(cc1F)F 34a_100000104222_100000230001 [0,2,0,0,0,0|2,0,0]=4 30798 B14R1.774 OCCCOCc1ncc(cc1F)F 7a_100000104222_100011215043 [0,2,0,0,0,0|2,0,0]=4 30799 B14R1.774 OCCCSCc1ccc(cc1Br)Br 62a_100011215043_200012351560 [0,2,0,0,0,0|1,0,0]=3 30800 B14R1.774 OCCCSCc1ccc(cc1Br)Br 62a_200012351560_100011215043 [0,2,0,0,0,0|1,0,0]=3 30801 B14R1.774 OCCCSCc1ccc(cc1Br)Cl 62a_100000755608_100011215043 [0,2,0,0,0,0|1,0,0]=3 30802 B14R1.774 OCCCSCc1ccc(cc1Br)Cl 62a_100011215043_100000755608 [0,2,0,0,0,0|1,0,0]=3 30803 B14R1.774 OCCCSCc1ccc(cc1Br)F 62a_100000243222_100011215043 [0,2,0,0,0,0|1,0,0]=3 30804 B14R1.774 OCCCSCc1ccc(cc1Br)F 62a_100011215043_100000243222 [0,2,0,0,0,0|1,0,0]=3 30805 B14R1.774 OCCCSCc1ccc(cc1Br)I 62a_100010146610_100011215043 [0,2,0,0,0,0|1,0,0]=3 30806 B14R1.774 OCCCSCc1ccc(cc1Br)I 62a_100011215043_100010146610 [0,2,0,0,0,0|1,0,0]=3 30807 B14R1.774 OCCCSCc1ccc(cc1Cl)Br 62a_100011215043_100011740631 [0,2,0,0,0,0|1,0,0]=3 30808 B14R1.774 OCCCSCc1ccc(cc1Cl)Br 62a_100011740631_100011215043 [0,2,0,0,0,0|1,0,0]=3 30809 B14R1.774 OCCCSCc1ccc(cc1Cl)Cl 62a_100000188473_100011215043 [0,2,0,0,0,0|1,0,0]=3 30810 B14R1.774 OCCCSCc1ccc(cc1Cl)Cl 62a_100011215043_100000188473 [0,2,0,0,0,0|1,0,0]=3 30811 B14R1.774 OCCCSCc1ccc(cc1Cl)F 62a_100000187853_100011215043 [0,2,0,0,0,0|1,0,0]=3 30812 B14R1.774 OCCCSCc1ccc(cc1Cl)F 62a_100011215043_100000187853 [0,2,0,0,0,0|1,0,0]=3 30813 B14R1.774 OCCCSCc1ccc(cc1F)Br 62a_100000211606_100011215043 [0,2,0,0,0,0|1,0,0]=3 30814 B14R1.774 OCCCSCc1ccc(cc1F)Br 62a_100011215043_100000211606 [0,2,0,0,0,0|1,0,0]=3 30815 B14R1.774 OCCCSCc1ccc(cc1F)Cl 62a_100000709361_100011215043 [0,2,0,0,0,0|1,0,0]=3 30816 B14R1.774 OCCCSCc1ccc(cc1F)Cl 62a_100011215043_100000709361 [0,2,0,0,0,0|1,0,0]=3 30817 B14R1.774 OCCCSCc1ccc(cc1F)F 62a_100000748237_100011215043 [0,2,0,0,0,0|1,0,0]=3 30818 B14R1.774 OCCCSCc1ccc(cc1F)F 62a_100011215043_100000748237 [0,2,0,0,0,0|1,0,0]=3 30819 B14R1.774 OCCCSCc1ccc(cc1F)I 62a_100010244991_100011215043 [0,2,0,0,0,0|1,0,0]=3 30820 B14R1.774 OCCCSCc1ccc(cc1F)I 62a_100011215043_100010244991 [0,2,0,0,0,0|1,0,0]=3 30821 B14R1.774 OCCCSCc1ccc(cc1I)Br 62a_100010146615_100011215043 [0,2,0,0,0,0|1,0,0]=3 30822 B14R1.774 OCCCSCc1ccc(cc1I)Br 62a_100011215043_100010146615 [0,2,0,0,0,0|1,0,0]=3 30823 B14R1.774 OCCCSCc1ccc(cc1I)Cl 62a_100010254388_100011215043 [0,2,0,0,0,0|1,0,0]=3 30824 B14R1.774 OCCCSCc1ccc(cc1I)Cl 62a_100011215043_100010254388 [0,2,0,0,0,0|1,0,0]=3 30825 B14R1.774 OCCCSCc1ccc(cc1I)F 62a_100011215043_100012354799 [0,2,0,0,0,0|1,0,0]=3 30826 B14R1.774 OCCCSCc1ccc(cc1I)F 62a_100012354799_100011215043 [0,2,0,0,0,0|1,0,0]=3 30827 B14R1.774 OCCCSCc1ccc(nc1Cl)Cl 62a_100000722033_100011215043 [0,2,0,0,0,0|2,0,0]=4 30828 B14R1.774 OCCCSCc1ccc(nc1Cl)Cl 62a_100011215043_100000722033 [0,2,0,0,0,0|2,0,0]=4 30829 B14R1.774 OCCCSCc1cnc(cc1Cl)Cl 62a_100011215043_100011997056 [0,2,0,0,0,0|2,0,0]=4 30830 B14R1.774 OCCCSCc1cnc(cc1Cl)Cl 62a_100011997056_100011215043 [0,2,0,0,0,0|2,0,0]=4 30831 B14R1.774 OCCCSCc1ncc(cc1F)Cl 62a_100011215043_200009879301 [0,2,0,0,0,0|2,0,0]=4 30832 B14R1.774 OCCCSCc1ncc(cc1F)Cl 62a_200009879301_100011215043 [0,2,0,0,0,0|2,0,0]=4 30833 B14R1.774 OCCNCCc1ccc(cc1Br)Cl 2230a_100016997473_200012945151 [0,2,0,0,0,0|1,0,0]=3 30834 B14R1.774 OCCNCCc1ccc(cc1Br)Cl 34a_100016990907_200012945151 [0,2,0,0,0,0|1,0,0]=3 30835 B14R1.774 OCCNCCc1ccc(cc1Cl)Cl 2230a_100000210994_100000211926 [0,2,0,0,0,0|1,0,0]=3 30836 B14R1.774 OCCNCCc1ccc(cc1Cl)Cl 2230a_100016997473_200012161198 [0,2,0,0,0,0|1,0,0]=3 30837 B14R1.774 OCCNCCc1ccc(cc1Cl)Cl 34a_100000210994_100000211926 [0,2,0,0,0,0|1,0,0]=3 30838 B14R1.774 OCCNCCc1ccc(cc1Cl)Cl 34a_100016990907_200012161198 [0,2,0,0,0,0|1,0,0]=3 30839 B14R1.774 OCCNCCc1ccc(cc1F)Cl 2230a_103496529009_100000211926 [0,2,0,0,0,0|1,0,0]=3 30840 B14R1.774 OCCNCCc1ccc(cc1F)Cl 34a_103496529009_100000211926 [0,2,0,0,0,0|1,0,0]=3 30841 B14R1.774 OCCNCCc1ccc(cc1F)F 2230a_100000754870_100000211926 [0,2,0,0,0,0|1,0,0]=3 30842 B14R1.774 OCCNCCc1ccc(cc1F)F 34a_100000754870_100000211926 [0,2,0,0,0,0|1,0,0]=3 30843 B14R1.774 OCCOCCc1ccc(cc1Cl)Br 34a_100013445822_100000211926 [0,2,0,0,0,0|1,0,0]=3 30844 B14R1.774 OCCOCCc1ccc(cc1Cl)Br 7a_100013445822_100000211926 [0,2,0,0,0,0|1,0,0]=3 30845 B14R1.774 OCCOCCc1ccc(cc1Cl)Cl 34a_100011215701_100000211926 [0,2,0,0,0,0|1,0,0]=3 30846 B14R1.774 OCCOCCc1ccc(cc1Cl)Cl 7a_100011215701_100000211926 [0,2,0,0,0,0|1,0,0]=3 30847 B14R1.774 OCCOCCc1ccc(cc1Cl)F 34a_100011962860_100000211926 [0,2,0,0,0,0|1,0,0]=3 30848 B14R1.774 OCCOCCc1ccc(cc1Cl)F 7a_100011962860_100000211926 [0,2,0,0,0,0|1,0,0]=3 30849 B14R1.774 OCCOCCc1ccc(cc1F)Br 34a_100011962869_100000211926 [0,2,0,0,0,0|1,0,0]=3 30850 B14R1.774 OCCOCCc1ccc(cc1F)Br 7a_100011962869_100000211926 [0,2,0,0,0,0|1,0,0]=3 30851 B14R1.774 OCCOCCc1ccc(cc1F)F 34a_100000697962_100000211926 [0,2,0,0,0,0|1,0,0]=3 30852 B14R1.774 OCCOCCc1ccc(cc1F)F 7a_100000697962_100000211926 [0,2,0,0,0,0|1,0,0]=3 30853 B14R1.774 OCCSCCc1ccc(cc1Br)Cl 62a_100000211926_200012945151 [0,2,0,0,0,0|1,0,0]=3 30854 B14R1.774 OCCSCCc1ccc(cc1Br)Cl 62a_200012945151_100000211926 [0,2,0,0,0,0|1,0,0]=3 30855 B14R1.774 OCCSCCc1ccc(cc1Cl)Cl 62a_100000211926_200012161198 [0,2,0,0,0,0|1,0,0]=3 30856 B14R1.774 OCCSCCc1ccc(cc1Cl)Cl 62a_200012161198_100000211926 [0,2,0,0,0,0|1,0,0]=3 30857 B14R1.774 Oc1cc(ccc1NCCCCF)Br 34a_100000739049_100000729493 [0,2,0,0,0,0|2,0,0]=4 30858 B14R1.774 Oc1cc(ccc1NCCCCF)Cl 34a_100000185728_100000729493 [0,2,0,0,0,0|2,0,0]=4 30859 B14R1.774 Oc1cc(ccc1NCCCCF)F 34a_100000753323_100000729493 [0,2,0,0,0,0|2,0,0]=4 30860 B14R1.774 Oc1cc(ccc1SCCCCF)Br 62a_100000729493_100012344904 [0,2,0,0,0,0|2,0,0]=4 30861 B14R1.774 Oc1cc(ccc1SCCCCF)Br 62a_100012344904_100000729493 [0,2,0,0,0,0|2,0,0]=4 30862 B14R1.774 Oc1cc(ccc1SCCCCF)Cl 62a_100000050036_100000729493 [0,2,0,0,0,0|2,0,0]=4 30863 B14R1.774 Oc1cc(ccc1SCCCCF)Cl 62a_100000729493_100000050036 [0,2,0,0,0,0|2,0,0]=4 30864 B14R1.774 Oc1cc(ccc1SCCCCF)F 62a_100000690578_100000729493 [0,2,0,0,0,0|2,0,0]=4 30865 B14R1.774 Oc1cc(ccc1SCCCCF)F 62a_100000729493_100000690578 [0,2,0,0,0,0|2,0,0]=4 30866 B14R1.774 Oc1ccc(c(c1)Br)NCCCCF 34a_100012001276_100000729493 [0,2,0,0,0,0|2,0,0]=4 30867 B14R1.774 Oc1ccc(c(c1)Br)SCCCCF 62a_100000701344_100000729493 [0,2,0,0,0,0|2,0,0]=4 30868 B14R1.774 Oc1ccc(c(c1)Br)SCCCCF 62a_100000729493_100000701344 [0,2,0,0,0,0|2,0,0]=4 30869 B14R1.774 Oc1ccc(c(c1)Cl)CNCCCF 34a_200161156549_100011934791 [0,2,0,0,0,0|2,0,0]=4 30870 B14R1.774 Oc1ccc(c(c1)Cl)NCCCCF 34a_100011215599_100000729493 [0,2,0,0,0,0|2,0,0]=4 30871 B14R1.774 Oc1ccc(c(c1)Cl)SCCCCF 62a_100000047559_100000729493 [0,2,0,0,0,0|2,0,0]=4 30872 B14R1.774 Oc1ccc(c(c1)Cl)SCCCCF 62a_100000729493_100000047559 [0,2,0,0,0,0|2,0,0]=4 30873 B14R1.774 Oc1ccc(c(c1)F)NCCCCF 34a_100000759473_100000729493 [0,2,0,0,0,0|2,0,0]=4 30874 B14R1.774 Oc1ccc(c(c1)F)SCCCCF 62a_100000729493_100000755031 [0,2,0,0,0,0|2,0,0]=4 30875 B14R1.774 Oc1ccc(c(c1)F)SCCCCF 62a_100000755031_100000729493 [0,2,0,0,0,0|2,0,0]=4 30876 B14R1.774 Oc1ccc(c(c1)I)NCCCCF 34a_100010084370_100000729493 [0,2,0,0,0,0|2,0,0]=4 30877 B14R1.774 Oc1ccc(c(c1)O)NCCCCF 34a_100000106777_100000729493 [0,2,0,0,0,0|2,0,0]=4 30878 B14R1.774 Oc1ccc(c(c1)O)SCCCCF 62a_100000729493_100009813921 [0,2,0,0,0,0|2,0,0]=4 30879 B14R1.774 [O-][n+]1cc(ccc1SCCCCO)F 62a_100000210776_100009817261 [0,2,0,0,0,0|2,0,0]=4 30880 B14R1.774 [O-][n+]1cc(ccc1SCCCCO)F 62a_100009817261_100000210776 [0,2,0,0,0,0|2,0,0]=4 30881 B14R1.776 C#Cc1ccc(cc1)CNCCCC 207a_100000102301_100011361452 [0,2,0,0,0,0|2,0,0]=4 30882 B14R1.776 C#Cc1ccc(cc1)CNCCCC 2230a_100000102301_100000140223 [0,2,0,0,0,0|2,0,0]=4 30883 B14R1.776 C#Cc1ccc(cc1)CNCCCC 2230a_100015199678_100000210211 [0,2,0,0,0,0|2,0,0]=4 30884 B14R1.776 C#Cc1ccc(cc1)CNCCCC 270004a_100000102301_100011361452 [0,2,0,0,0,0|2,0,0]=4 30885 B14R1.776 C#Cc1ccc(cc1)CNCCCC 34a_100015199678_100000210210 [0,2,0,0,0,0|2,0,0]=4 30886 B14R1.776 C#Cc1ccc(cc1)CNCCCC 7a_106832991798_100000140223 [0,2,0,0,0,0|2,0,0]=4 30887 B14R1.776 C#Cc1ccc(cc1)CNCCCF 207a_100015189416_100011361452 [0,2,0,0,0,0|2,0,0]=4 30888 B14R1.776 C#Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000140223 [0,2,0,0,0,0|2,0,0]=4 30889 B14R1.776 C#Cc1ccc(cc1)CNCCCF 2230a_100015199678_100011934791 [0,2,0,0,0,0|2,0,0]=4 30890 B14R1.776 C#Cc1ccc(cc1)CNCCCF 270004a_100015189416_100011361452 [0,2,0,0,0,0|2,0,0]=4 30891 B14R1.776 C#Cc1ccc(cc1)CNCCCF 34a_100015189416_100000140223 [0,2,0,0,0,0|2,0,0]=4 30892 B14R1.776 C#Cc1ccc(cc1)CNCCCF 34a_100015199678_100011934791 [0,2,0,0,0,0|2,0,0]=4 30893 B14R1.776 C#Cc1ccc(cc1)CNCCCO 207a_100000182051_100011361452 [0,2,0,0,0,0|1,0,0]=3 30894 B14R1.776 C#Cc1ccc(cc1)CNCCCO 2230a_100015199678_100000230001 [0,2,0,0,0,0|1,0,0]=3 30895 B14R1.776 C#Cc1ccc(cc1)CNCCCO 270004a_100000182051_100011361452 [0,2,0,0,0,0|1,0,0]=3 30896 B14R1.776 C#Cc1ccc(cc1)CNCCCO 34a_100015199678_100000230001 [0,2,0,0,0,0|1,0,0]=3 30897 B14R1.776 C#Cc1ccc(cc1)COCCCBr 34a_100011217188_100000140223 [0,2,0,0,0,0|2,0,0]=4 30898 B14R1.776 C#Cc1ccc(cc1)COCCCC 34a_100000054647_100000210210 [0,2,0,0,0,0|2,0,0]=4 30899 B14R1.776 C#Cc1ccc(cc1)COCCCC 34a_100000210227_100000140223 [0,2,0,0,0,0|2,0,0]=4 30900 B14R1.776 C#Cc1ccc(cc1)COCCCC 7a_100000054647_100000210211 [0,2,0,0,0,0|2,0,0]=4 30901 B14R1.776 C#Cc1ccc(cc1)COCCCC 7a_100000210227_100000140223 [0,2,0,0,0,0|2,0,0]=4 30902 B14R1.776 C#Cc1ccc(cc1)COCCCCl 34a_100000230001_100000140223 [0,2,0,0,0,0|2,0,0]=4 30903 B14R1.776 C#Cc1ccc(cc1)COCCCF 34a_100000054647_100011934791 [0,2,0,0,0,0|2,0,0]=4 30904 B14R1.776 C#Cc1ccc(cc1)COCCCF 34a_100000759539_100000140223 [0,2,0,0,0,0|2,0,0]=4 30905 B14R1.776 C#Cc1ccc(cc1)COCCCF 7a_100000054647_100011934791 [0,2,0,0,0,0|2,0,0]=4 30906 B14R1.776 C#Cc1ccc(cc1)COCCCN 34a_100000182051_100000140223 [0,2,0,0,0,0|2,0,0]=4 30907 B14R1.776 C#Cc1ccc(cc1)COCCCO 34a_100000054647_100000230001 [0,2,0,0,0,0|1,0,0]=3 30908 B14R1.776 C#Cc1ccc(cc1)COCCCO 7a_100000054647_100011215043 [0,2,0,0,0,0|1,0,0]=3 30909 B14R1.776 C#Cc1ccc(cc1)CSCCCC 62a_100000210211_100000140223 [0,2,0,0,0,0|2,0,0]=4 30910 B14R1.776 C#Cc1ccc(cc1)CSCCCF 62a_100011934791_100000140223 [0,2,0,0,0,0|2,0,0]=4 30911 B14R1.776 C#Cc1ccc(cc1)CSCCCO 62a_100011215043_100000140223 [0,2,0,0,0,0|1,0,0]=3 30912 B14R1.776 C#Cc1ccc(cc1)NCCCCC 34a_100011215031_100000718602 [0,2,0,0,0,0|2,0,0]=4 30913 B14R1.776 C#Cc1ccc(cc1)NCCCCF 34a_100011215031_100000729493 [0,2,0,0,0,0|2,0,0]=4 30914 B14R1.776 C#Cc1ccc(cc1)NCCCCO 34a_100011215031_100011216708 [0,2,0,0,0,0|1,0,0]=3 30915 B14R1.776 C#Cc1ccc(nc1)OCCCCO 34a_200009884252_100011216708 [0,2,0,0,0,0|2,0,0]=4 30916 B14R1.776 C=Cc1ccc(cc1)CCCCCC 271570a_100011290941_100009814338 [0,2,0,0,0,0|1,0,0]=3 30917 B14R1.776 C=Cc1ccc(cc1)CCNCCF 34a_100000724931_100000142037 [0,2,0,0,0,0|2,0,0]=4 30918 B14R1.776 C=Cc1ccc(cc1)CCNCCO 2230a_100016997473_100000142037 [0,2,0,0,0,0|1,0,0]=3 30919 B14R1.776 C=Cc1ccc(cc1)CCNCCO 34a_100016990907_100000142037 [0,2,0,0,0,0|1,0,0]=3 30920 B14R1.776 C=Cc1ccc(cc1)CCOCCBr 34a_100000211926_100000142037 [0,2,0,0,0,0|2,0,0]=4 30921 B14R1.776 C=Cc1ccc(cc1)CCOCCC 34a_100000210258_100000142037 [0,2,0,0,0,0|2,0,0]=4 30922 B14R1.776 C=Cc1ccc(cc1)CCOCCN 34a_100000210304_100000142037 [0,2,0,0,0,0|2,0,0]=4 30923 B14R1.776 C=Cc1ccc(cc1)CCSCCC 62a_100000142037_100000210303 [0,2,0,0,0,0|2,0,0]=4 30924 B14R1.776 C=Cc1ccc(cc1)CCSCCC 62a_100000210303_100000142037 [0,2,0,0,0,0|2,0,0]=4 30925 B14R1.776 C=Cc1ccc(cc1)CCSCCF 62a_100000142037_100011217306 [0,2,0,0,0,0|2,0,0]=4 30926 B14R1.776 C=Cc1ccc(cc1)CCSCCF 62a_100011217306_100000142037 [0,2,0,0,0,0|2,0,0]=4 30927 B14R1.776 C=Cc1ccc(cc1)CCSCCO 62a_100000142037_100000211926 [0,2,0,0,0,0|1,0,0]=3 30928 B14R1.776 C=Cc1ccc(cc1)CCSCCO 62a_100000211926_100000142037 [0,2,0,0,0,0|1,0,0]=3 30929 B14R1.776 C=Cc1ccc(cc1)CNCCCC 2230a_100000102301_100000034074 [0,2,0,0,0,0|2,0,0]=4 30930 B14R1.776 C=Cc1ccc(cc1)CNCCCC 270004a_100000102301_100011361436 [0,2,0,0,0,0|2,0,0]=4 30931 B14R1.776 C=Cc1ccc(cc1)CNCCCC 271570a_100011290941_100015187156 [0,2,0,0,0,0|2,0,0]=4 30932 B14R1.776 C=Cc1ccc(cc1)CNCCCC 34a_200011934891_100000210210 [0,2,0,0,0,0|2,0,0]=4 30933 B14R1.776 C=Cc1ccc(cc1)CNCCCC 7a_106832991798_100000034074 [0,2,0,0,0,0|2,0,0]=4 30934 B14R1.776 C=Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000034074 [0,2,0,0,0,0|2,0,0]=4 30935 B14R1.776 C=Cc1ccc(cc1)CNCCCF 270004a_100015189416_100011361436 [0,2,0,0,0,0|2,0,0]=4 30936 B14R1.776 C=Cc1ccc(cc1)CNCCCF 34a_100015189416_100000034074 [0,2,0,0,0,0|2,0,0]=4 30937 B14R1.776 C=Cc1ccc(cc1)CNCCCF 34a_200011934891_100011934791 [0,2,0,0,0,0|2,0,0]=4 30938 B14R1.776 C=Cc1ccc(cc1)CNCCCO 270004a_100000182051_100011361436 [0,2,0,0,0,0|1,0,0]=3 30939 B14R1.776 C=Cc1ccc(cc1)CNCCCO 34a_200011934891_100000230001 [0,2,0,0,0,0|1,0,0]=3 30940 B14R1.776 C=Cc1ccc(cc1)COCCCBr 34a_100011217188_100000034074 [0,2,0,0,0,0|2,0,0]=4 30941 B14R1.776 C=Cc1ccc(cc1)COCCCC 34a_100000073583_100000210210 [0,2,0,0,0,0|2,0,0]=4 30942 B14R1.776 C=Cc1ccc(cc1)COCCCC 34a_100000210227_100000034074 [0,2,0,0,0,0|2,0,0]=4 30943 B14R1.776 C=Cc1ccc(cc1)COCCCC 7a_100000073583_100000210211 [0,2,0,0,0,0|2,0,0]=4 30944 B14R1.776 C=Cc1ccc(cc1)COCCCC 7a_100000210227_100000034074 [0,2,0,0,0,0|2,0,0]=4 30945 B14R1.776 C=Cc1ccc(cc1)COCCCCl 34a_100000230001_100000034074 [0,2,0,0,0,0|2,0,0]=4 30946 B14R1.776 C=Cc1ccc(cc1)COCCCF 34a_100000073583_100011934791 [0,2,0,0,0,0|2,0,0]=4 30947 B14R1.776 C=Cc1ccc(cc1)COCCCF 34a_100000759539_100000034074 [0,2,0,0,0,0|2,0,0]=4 30948 B14R1.776 C=Cc1ccc(cc1)COCCCF 7a_100000073583_100011934791 [0,2,0,0,0,0|2,0,0]=4 30949 B14R1.776 C=Cc1ccc(cc1)COCCCN 34a_100000182051_100000034074 [0,2,0,0,0,0|2,0,0]=4 30950 B14R1.776 C=Cc1ccc(cc1)COCCCO 34a_100000073583_100000230001 [0,2,0,0,0,0|1,0,0]=3 30951 B14R1.776 C=Cc1ccc(cc1)COCCCO 7a_100000073583_100011215043 [0,2,0,0,0,0|1,0,0]=3 30952 B14R1.776 C=Cc1ccc(cc1)CSCCCC 62a_100000034074_100000210210 [0,2,0,0,0,0|2,0,0]=4 30953 B14R1.776 C=Cc1ccc(cc1)CSCCCC 62a_100000210211_100000034074 [0,2,0,0,0,0|2,0,0]=4 30954 B14R1.776 C=Cc1ccc(cc1)CSCCCF 62a_100000034074_100011934791 [0,2,0,0,0,0|2,0,0]=4 30955 B14R1.776 C=Cc1ccc(cc1)CSCCCF 62a_100011934791_100000034074 [0,2,0,0,0,0|2,0,0]=4 30956 B14R1.776 C=Cc1ccc(cc1)CSCCCO 62a_100000034074_100011215043 [0,2,0,0,0,0|1,0,0]=3 30957 B14R1.776 C=Cc1ccc(cc1)CSCCCO 62a_100011215043_100000034074 [0,2,0,0,0,0|1,0,0]=3 30958 B14R1.776 C=Cc1ccc(cc1)NCCCCC 34a_100011218248_100000718602 [0,2,0,0,0,0|2,0,0]=4 30959 B14R1.776 C=Cc1ccc(cc1)NCCCCF 34a_100011218248_100000729493 [0,2,0,0,0,0|2,0,0]=4 30960 B14R1.776 C=Cc1ccc(cc1)NCCCCO 34a_100011218248_100011216708 [0,2,0,0,0,0|1,0,0]=3 30961 B14R1.776 C=Cc1ccc(cc1)OCCCCC 271570a_100011290941_200011214818 [0,2,0,0,0,0|2,0,0]=4 30962 B14R1.776 C=Cc1ccc(cc1)OCCCCC 34a_100000189437_100000718602 [0,2,0,0,0,0|2,0,0]=4 30963 B14R1.776 C=Cc1ccc(cc1)OCCCCC 7a_100000189437_100000210326 [0,2,0,0,0,0|2,0,0]=4 30964 B14R1.776 C=Cc1ccc(cc1)OCCCCF 34a_100000189437_100000729493 [0,2,0,0,0,0|2,0,0]=4 30965 B14R1.776 C=Cc1ccc(cc1)OCCCCF 7a_100000189437_100000729493 [0,2,0,0,0,0|2,0,0]=4 30966 B14R1.776 C=Cc1ccc(cc1)OCCCCO 34a_100000189437_100011216708 [0,2,0,0,0,0|1,0,0]=3 30967 B14R1.776 C=Cc1ccc(cc1)OCCCCO 7a_100000189437_100000210776 [0,2,0,0,0,0|1,0,0]=3 30968 B14R1.776 C=Cc1ccc(cc1)SCCCCC 62a_100000210326_100000748128 [0,2,0,0,0,0|2,0,0]=4 30969 B14R1.776 C=Cc1ccc(cc1)SCCCCC 62a_100000748128_100000210326 [0,2,0,0,0,0|2,0,0]=4 30970 B14R1.776 C=Cc1ccc(cc1)SCCCCF 62a_100000729493_100000748128 [0,2,0,0,0,0|2,0,0]=4 30971 B14R1.776 C=Cc1ccc(cc1)SCCCCF 62a_100000748128_100000729493 [0,2,0,0,0,0|2,0,0]=4 30972 B14R1.776 C=Cc1ccc(cc1)SCCCCO 62a_100000210776_100000748128 [0,2,0,0,0,0|1,0,0]=3 30973 B14R1.776 C=Cc1ccc(cc1)SCCCCO 62a_100000748128_100000210776 [0,2,0,0,0,0|1,0,0]=3 30974 B14R1.776 C=Cc1ccc(nc1)SCCCCO 62a_100000210776_103436540071 [0,2,0,0,0,0|2,0,0]=4 30975 B14R1.776 C=Cc1ccc(nc1)SCCCCO 62a_103436540071_100000210776 [0,2,0,0,0,0|2,0,0]=4 30976 B14R1.776 CCCCCCc1ccc(cc1)NC 2230a_100000035805_200000210301 [0,2,0,0,0,0|1,0,0]=3 30977 B14R1.776 CCCCCCc1ccc(cc1)NC 34a_100000035805_200000210301 [0,2,0,0,0,0|1,0,0]=3 30978 B14R1.776 CCCCCCc1ccc(cc1)NC 7a_100000035805_200000210301 [0,2,0,0,0,0|1,0,0]=3 30979 B14R1.776 CCCCCCc1ccc(cc1)N[13CH3] 2230a_100000035805_200025704644 [0,2,0,0,0,0|1,0,0]=3 30980 B14R1.776 CCCCCCc1ccc(cc1)N[13CH3] 34a_100000035805_200025704644 [0,2,0,0,0,0|1,0,0]=3 30981 B14R1.776 CCCCCCc1ccc(cc1)N[13CH3] 7a_100000035805_200025704644 [0,2,0,0,0,0|1,0,0]=3 30982 B14R1.776 CCCCCCc1ccc(cc1)OC 34a_100000011238_200000210301 [0,2,0,0,0,0|1,0,0]=3 30983 B14R1.776 CCCCCCc1ccc(cc1)OC 7a_100000011238_200000210301 [0,2,0,0,0,0|1,0,0]=3 30984 B14R1.776 CCCCCCc1ccc(cc1)O[13CH3] 34a_100000011238_200025704644 [0,2,0,0,0,0|1,0,0]=3 30985 B14R1.776 CCCCCCc1ccc(cc1)O[13CH3] 7a_100000011238_200025704644 [0,2,0,0,0,0|1,0,0]=3 30986 B14R1.776 CCCCCCc1ccc(cc1)SC 62a_100009814338_200000210301 [0,2,0,0,0,0|1,0,0]=3 30987 B14R1.776 CCCCCCc1ccc(cc1)SC 62a_200000210301_100009814338 [0,2,0,0,0,0|1,0,0]=3 30988 B14R1.776 CCCCCCc1ccc(cc1)S[13CH3] 62a_100009814338_200025704644 [0,2,0,0,0,0|1,0,0]=3 30989 B14R1.776 CCCCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100009814338 [0,2,0,0,0,0|1,0,0]=3 30990 B14R1.776 CCCCCNc1ccc(cc1)C#N 34a_100000185469_100000718602 [0,2,0,0,0,0|2,0,0]=4 30991 B14R1.776 CCCCCNc1ccc(cc1)CC 2230a_100000211069_100000210326 [0,2,0,0,0,0|2,0,0]=4 30992 B14R1.776 CCCCCNc1ccc(cc1)CC 34a_100000211069_100000718602 [0,2,0,0,0,0|2,0,0]=4 30993 B14R1.776 CCCCCNc1ccc(cc1)CO 2230a_100011215238_100000210326 [0,2,0,0,0,0|2,0,0]=4 30994 B14R1.776 CCCCCNc1ccc(cc1)CO 34a_100011215238_100000718602 [0,2,0,0,0,0|2,0,0]=4 30995 B14R1.776 CCCCCNc1ccc(cc1)OC 34a_100000184247_100000718602 [0,2,0,0,0,0|2,0,0]=4 30996 B14R1.776 CCCCCNc1ccc(cc1)SC 34a_100000212337_100000718602 [0,2,0,0,0,0|2,0,0]=4 30997 B14R1.776 CCCCCOc1ccc(cc1)C#N 34a_100000210344_100000718602 [0,2,0,0,0,0|2,0,0]=4 30998 B14R1.776 CCCCCOc1ccc(cc1)C#N 7a_100000210344_100000210326 [0,2,0,0,0,0|2,0,0]=4 30999 B14R1.776 CCCCCOc1ccc(cc1)CC 34a_100000211359_100000718602 [0,2,0,0,0,0|2,0,0]=4 31000 B14R1.776 CCCCCOc1ccc(cc1)CC 7a_100000211359_100000210326 [0,2,0,0,0,0|2,0,0]=4 31001 B14R1.776 CCCCCOc1ccc(cc1)CN 34a_100000185549_100000718602 [0,2,0,0,0,0|2,0,0]=4 31002 B14R1.776 CCCCCOc1ccc(cc1)CO 34a_100000211755_100000718602 [0,2,0,0,0,0|2,0,0]=4 31003 B14R1.776 CCCCCOc1ccc(cc1)NC 2230a_103437854202_200000210301 [0,2,0,0,0,0|2,0,0]=4 31004 B14R1.776 CCCCCOc1ccc(cc1)NC 34a_100000182112_100000718602 [0,2,0,0,0,0|2,0,0]=4 31005 B14R1.776 CCCCCOc1ccc(cc1)NC 34a_103437854202_200000210301 [0,2,0,0,0,0|2,0,0]=4 31006 B14R1.776 CCCCCOc1ccc(cc1)N[13CH3] 2230a_103437854202_200025704644 [0,2,0,0,0,0|2,0,0]=4 31007 B14R1.776 CCCCCOc1ccc(cc1)N[13CH3] 34a_103437854202_200025704644 [0,2,0,0,0,0|2,0,0]=4 31008 B14R1.776 CCCCCOc1ccc(cc1)OC 34a_100000183632_200000210301 [0,2,0,0,0,0|2,0,0]=4 31009 B14R1.776 CCCCCOc1ccc(cc1)OC 34a_100000210503_100000718602 [0,2,0,0,0,0|2,0,0]=4 31010 B14R1.776 CCCCCOc1ccc(cc1)OC 7a_100000183632_200000210301 [0,2,0,0,0,0|2,0,0]=4 31011 B14R1.776 CCCCCOc1ccc(cc1)O[13CH3] 34a_100000183632_200025704644 [0,2,0,0,0,0|2,0,0]=4 31012 B14R1.776 CCCCCOc1ccc(cc1)O[13CH3] 7a_100000183632_200025704644 [0,2,0,0,0,0|2,0,0]=4 31013 B14R1.776 CCCCCOc1ccc(cc1)SC 34a_100000211864_100000718602 [0,2,0,0,0,0|2,0,0]=4 31014 B14R1.776 CCCCCOc1ccc(cc1)SC 62a_200000210301_200011214818 [0,2,0,0,0,0|2,0,0]=4 31015 B14R1.776 CCCCCOc1ccc(cc1)S[13CH3] 62a_200025704644_200011214818 [0,2,0,0,0,0|2,0,0]=4 31016 B14R1.776 CCCCCSc1ccc(cc1)C#N 62a_100000210326_100000184291 [0,2,0,0,0,0|2,0,0]=4 31017 B14R1.776 CCCCCSc1ccc(cc1)C=O 62a_100000188517_100000210326 [0,2,0,0,0,0|2,0,0]=4 31018 B14R1.776 CCCCCSc1ccc(cc1)C=O 62a_100000210326_100000188517 [0,2,0,0,0,0|2,0,0]=4 31019 B14R1.776 CCCCCSc1ccc(cc1)CC 62a_100000210326_100011215824 [0,2,0,0,0,0|2,0,0]=4 31020 B14R1.776 CCCCCSc1ccc(cc1)CC 62a_100011215824_100000210326 [0,2,0,0,0,0|2,0,0]=4 31021 B14R1.776 CCCCCSc1ccc(cc1)CF 62a_100000210326_100010268989 [0,2,0,0,0,0|2,0,0]=4 31022 B14R1.776 CCCCCSc1ccc(cc1)CF 62a_100010268989_100000210326 [0,2,0,0,0,0|2,0,0]=4 31023 B14R1.776 CCCCCSc1ccc(cc1)CN 62a_100000210326_100016989417 [0,2,0,0,0,0|2,0,0]=4 31024 B14R1.776 CCCCCSc1ccc(cc1)CN 62a_100016989417_100000210326 [0,2,0,0,0,0|2,0,0]=4 31025 B14R1.776 CCCCCSc1ccc(cc1)CO 62a_100000210326_100000690907 [0,2,0,0,0,0|2,0,0]=4 31026 B14R1.776 CCCCCSc1ccc(cc1)CO 62a_100000690907_100000210326 [0,2,0,0,0,0|2,0,0]=4 31027 B14R1.776 CCCCCSc1ccc(cc1)NC 62a_100000210326_100000743151 [0,2,0,0,0,0|2,0,0]=4 31028 B14R1.776 CCCCCSc1ccc(cc1)NC 62a_100000743151_100000210326 [0,2,0,0,0,0|2,0,0]=4 31029 B14R1.776 CCCCCSc1ccc(cc1)NN 62a_100000210326_100016988836 [0,2,0,0,0,0|2,0,0]=4 31030 B14R1.776 CCCCCSc1ccc(cc1)NN 62a_100016988836_100000210326 [0,2,0,0,0,0|2,0,0]=4 31031 B14R1.776 CCCCCSc1ccc(cc1)OC 62a_100000210326_100000171711 [0,2,0,0,0,0|2,0,0]=4 31032 B14R1.776 CCCCCSc1ccc(cc1)SC 62a_100000210326_100011263217 [0,2,0,0,0,0|2,0,0]=4 31033 B14R1.776 CCCCCSc1ccc(cc1)SC 62a_100011263217_100000210326 [0,2,0,0,0,0|2,0,0]=4 31034 B14R1.776 CCCCNCc1ccc(cc1)C#N 207a_100000102301_100000211122 [0,2,0,0,0,0|2,0,0]=4 31035 B14R1.776 CCCCNCc1ccc(cc1)C#N 2230a_100000102301_100000184898 [0,2,0,0,0,0|2,0,0]=4 31036 B14R1.776 CCCCNCc1ccc(cc1)C#N 270004a_100000102301_100000211122 [0,2,0,0,0,0|2,0,0]=4 31037 B14R1.776 CCCCNCc1ccc(cc1)C#N 34a_100015207190_100000210210 [0,2,0,0,0,0|2,0,0]=4 31038 B14R1.776 CCCCNCc1ccc(cc1)C#N 7a_106832991798_100000184898 [0,2,0,0,0,0|2,0,0]=4 31039 B14R1.776 CCCCNCc1ccc(cc1)C=O 2230a_100000102301_100009816848 [0,2,0,0,0,0|2,0,0]=4 31040 B14R1.776 CCCCNCc1ccc(cc1)C=O 7a_106832991798_100009816848 [0,2,0,0,0,0|2,0,0]=4 31041 B14R1.776 CCCCNCc1ccc(cc1)CC 207a_100000102301_100000211036 [0,2,0,0,0,0|2,0,0]=4 31042 B14R1.776 CCCCNCc1ccc(cc1)CC 2230a_100000102301_100000747183 [0,2,0,0,0,0|2,0,0]=4 31043 B14R1.776 CCCCNCc1ccc(cc1)CC 2230a_100000721222_100000210211 [0,2,0,0,0,0|2,0,0]=4 31044 B14R1.776 CCCCNCc1ccc(cc1)CC 270004a_100000102301_100000211036 [0,2,0,0,0,0|2,0,0]=4 31045 B14R1.776 CCCCNCc1ccc(cc1)CC 34a_100000721222_100000210210 [0,2,0,0,0,0|2,0,0]=4 31046 B14R1.776 CCCCNCc1ccc(cc1)CC 7a_106832991798_100000747183 [0,2,0,0,0,0|2,0,0]=4 31047 B14R1.776 CCCCNCc1ccc(cc1)CO 207a_100000102301_100009832023 [0,2,0,0,0,0|2,0,0]=4 31048 B14R1.776 CCCCNCc1ccc(cc1)CO 2230a_100000102301_100000067286 [0,2,0,0,0,0|2,0,0]=4 31049 B14R1.776 CCCCNCc1ccc(cc1)CO 2230a_100015189231_100000210211 [0,2,0,0,0,0|2,0,0]=4 31050 B14R1.776 CCCCNCc1ccc(cc1)CO 270004a_100000102301_100009832023 [0,2,0,0,0,0|2,0,0]=4 31051 B14R1.776 CCCCNCc1ccc(cc1)CO 34a_100015189231_100000210210 [0,2,0,0,0,0|2,0,0]=4 31052 B14R1.776 CCCCNCc1ccc(cc1)CO 7a_106832991798_100000067286 [0,2,0,0,0,0|2,0,0]=4 31053 B14R1.776 CCCCNCc1ccc(cc1)OC 207a_100000102301_100000169835 [0,2,0,0,0,0|2,0,0]=4 31054 B14R1.776 CCCCNCc1ccc(cc1)OC 2230a_100000102301_100000742318 [0,2,0,0,0,0|2,0,0]=4 31055 B14R1.776 CCCCNCc1ccc(cc1)OC 270004a_100000102301_100000169835 [0,2,0,0,0,0|2,0,0]=4 31056 B14R1.776 CCCCNCc1ccc(cc1)OC 34a_100000185587_100000210210 [0,2,0,0,0,0|2,0,0]=4 31057 B14R1.776 CCCCNCc1ccc(cc1)OC 7a_106832991798_100000742318 [0,2,0,0,0,0|2,0,0]=4 31058 B14R1.776 CCCCNCc1ccc(cc1)SC 207a_100000102301_100000211154 [0,2,0,0,0,0|2,0,0]=4 31059 B14R1.776 CCCCNCc1ccc(cc1)SC 2230a_100000102301_100000181263 [0,2,0,0,0,0|2,0,0]=4 31060 B14R1.776 CCCCNCc1ccc(cc1)SC 2230a_100000174980_100000210211 [0,2,0,0,0,0|2,0,0]=4 31061 B14R1.776 CCCCNCc1ccc(cc1)SC 270004a_100000102301_100000211154 [0,2,0,0,0,0|2,0,0]=4 31062 B14R1.776 CCCCNCc1ccc(cc1)SC 34a_100000174980_100000210210 [0,2,0,0,0,0|2,0,0]=4 31063 B14R1.776 CCCCNCc1ccc(cc1)SC 62a_100015187156_200000210301 [0,2,0,0,0,0|2,0,0]=4 31064 B14R1.776 CCCCNCc1ccc(cc1)SC 62a_200000210301_100015187156 [0,2,0,0,0,0|2,0,0]=4 31065 B14R1.776 CCCCNCc1ccc(cc1)SC 7a_106832991798_100000181263 [0,2,0,0,0,0|2,0,0]=4 31066 B14R1.776 CCCCNCc1ccc(cc1)S[13CH3] 62a_100015187156_200025704644 [0,2,0,0,0,0|2,0,0]=4 31067 B14R1.776 CCCCNCc1ccc(cc1)S[13CH3] 62a_200025704644_100015187156 [0,2,0,0,0,0|2,0,0]=4 31068 B14R1.776 CCCCOCc1ccc(cc1)C#N 34a_100000210227_100000184898 [0,2,0,0,0,0|2,0,0]=4 31069 B14R1.776 CCCCOCc1ccc(cc1)C#N 34a_100000238739_100000210210 [0,2,0,0,0,0|2,0,0]=4 31070 B14R1.776 CCCCOCc1ccc(cc1)C#N 7a_100000210227_100000184898 [0,2,0,0,0,0|2,0,0]=4 31071 B14R1.776 CCCCOCc1ccc(cc1)C#N 7a_100000238739_100000210211 [0,2,0,0,0,0|2,0,0]=4 31072 B14R1.776 CCCCOCc1ccc(cc1)C=O 34a_100000210227_100009816848 [0,2,0,0,0,0|2,0,0]=4 31073 B14R1.776 CCCCOCc1ccc(cc1)C=O 7a_100000210227_100009816848 [0,2,0,0,0,0|2,0,0]=4 31074 B14R1.776 CCCCOCc1ccc(cc1)CBr 34a_100012353999_100000210210 [0,2,0,0,0,0|2,0,0]=4 31075 B14R1.776 CCCCOCc1ccc(cc1)CBr 7a_100012353999_100000210211 [0,2,0,0,0,0|2,0,0]=4 31076 B14R1.776 CCCCOCc1ccc(cc1)CC 34a_100000210227_100000747183 [0,2,0,0,0,0|2,0,0]=4 31077 B14R1.776 CCCCOCc1ccc(cc1)CC 34a_100000702245_100000210210 [0,2,0,0,0,0|2,0,0]=4 31078 B14R1.776 CCCCOCc1ccc(cc1)CC 7a_100000210227_100000747183 [0,2,0,0,0,0|2,0,0]=4 31079 B14R1.776 CCCCOCc1ccc(cc1)CC 7a_100000702245_100000210211 [0,2,0,0,0,0|2,0,0]=4 31080 B14R1.776 CCCCOCc1ccc(cc1)CCl 34a_100000067286_100000210210 [0,2,0,0,0,0|2,0,0]=4 31081 B14R1.776 CCCCOCc1ccc(cc1)CCl 7a_100000067286_100000210211 [0,2,0,0,0,0|2,0,0]=4 31082 B14R1.776 CCCCOCc1ccc(cc1)CN 34a_100015189231_100000210210 [0,2,0,0,0,0|2,0,0]=4 31083 B14R1.776 CCCCOCc1ccc(cc1)CO 34a_100000210227_100000067286 [0,2,0,0,0,0|2,0,0]=4 31084 B14R1.776 CCCCOCc1ccc(cc1)CO 7a_100000210227_100000067286 [0,2,0,0,0,0|2,0,0]=4 31085 B14R1.776 CCCCOCc1ccc(cc1)OC 34a_100000173359_100000210210 [0,2,0,0,0,0|2,0,0]=4 31086 B14R1.776 CCCCOCc1ccc(cc1)OC 34a_100000210227_100000742318 [0,2,0,0,0,0|2,0,0]=4 31087 B14R1.776 CCCCOCc1ccc(cc1)OC 7a_100000210227_100000742318 [0,2,0,0,0,0|2,0,0]=4 31088 B14R1.776 CCCCOCc1ccc(cc1)SC 34a_100000210227_100000181263 [0,2,0,0,0,0|2,0,0]=4 31089 B14R1.776 CCCCOCc1ccc(cc1)SC 34a_100011215404_100000210210 [0,2,0,0,0,0|2,0,0]=4 31090 B14R1.776 CCCCOCc1ccc(cc1)SC 7a_100000210227_100000181263 [0,2,0,0,0,0|2,0,0]=4 31091 B14R1.776 CCCCOCc1ccc(cc1)SC 7a_100011215404_100000210211 [0,2,0,0,0,0|2,0,0]=4 31092 B14R1.776 CCCCSCc1ccc(cc1)C#N 62a_100000210211_100000184898 [0,2,0,0,0,0|2,0,0]=4 31093 B14R1.776 CCCCSCc1ccc(cc1)C=O 62a_100000210211_100009816848 [0,2,0,0,0,0|2,0,0]=4 31094 B14R1.776 CCCCSCc1ccc(cc1)C=O 62a_100009816848_100000210210 [0,2,0,0,0,0|2,0,0]=4 31095 B14R1.776 CCCCSCc1ccc(cc1)CC 62a_100000210211_100000747183 [0,2,0,0,0,0|2,0,0]=4 31096 B14R1.776 CCCCSCc1ccc(cc1)CC 62a_100000757233_100000210210 [0,2,0,0,0,0|2,0,0]=4 31097 B14R1.776 CCCCSCc1ccc(cc1)CO 62a_100000067286_100000210210 [0,2,0,0,0,0|2,0,0]=4 31098 B14R1.776 CCCCSCc1ccc(cc1)CO 62a_100000210211_100000067286 [0,2,0,0,0,0|2,0,0]=4 31099 B14R1.776 CCCCSCc1ccc(cc1)OC 62a_100000210211_100000742318 [0,2,0,0,0,0|2,0,0]=4 31100 B14R1.776 CCCCSCc1ccc(cc1)SC 62a_100000181263_100000210210 [0,2,0,0,0,0|2,0,0]=4 31101 B14R1.776 CCCCSCc1ccc(cc1)SC 62a_100000210211_100000181263 [0,2,0,0,0,0|2,0,0]=4 31102 B14R1.776 CCCNCCc1ccc(cc1)C#N 2230a_100015189369_100000210303 [0,2,0,0,0,0|2,0,0]=4 31103 B14R1.776 CCCNCCc1ccc(cc1)C#N 34a_100015189369_100000210303 [0,2,0,0,0,0|2,0,0]=4 31104 B14R1.776 CCCNCCc1ccc(cc1)CC 2230a_100025712186_100000210303 [0,2,0,0,0,0|2,0,0]=4 31105 B14R1.776 CCCNCCc1ccc(cc1)CC 34a_100025712186_100000210303 [0,2,0,0,0,0|2,0,0]=4 31106 B14R1.776 CCCNCCc1ccc(cc1)OC 2230a_100000210796_100000210303 [0,2,0,0,0,0|2,0,0]=4 31107 B14R1.776 CCCNCCc1ccc(cc1)OC 270004a_100020643023_100011242372 [0,2,0,0,0,0|2,0,0]=4 31108 B14R1.776 CCCNCCc1ccc(cc1)OC 34a_100000210796_100000210303 [0,2,0,0,0,0|2,0,0]=4 31109 B14R1.776 CCCOCCc1ccc(cc1)C#N 34a_100000210258_100012161189 [0,2,0,0,0,0|2,0,0]=4 31110 B14R1.776 CCCOCCc1ccc(cc1)C#N 34a_100011219507_100000210303 [0,2,0,0,0,0|2,0,0]=4 31111 B14R1.776 CCCOCCc1ccc(cc1)C#N 7a_100011219507_100000210303 [0,2,0,0,0,0|2,0,0]=4 31112 B14R1.776 CCCOCCc1ccc(cc1)OC 34a_100000210258_100000184700 [0,2,0,0,0,0|2,0,0]=4 31113 B14R1.776 CCCOCCc1ccc(cc1)OC 34a_100011219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 31114 B14R1.776 CCCOCCc1ccc(cc1)OC 7a_100011219623_100000210303 [0,2,0,0,0,0|2,0,0]=4 31115 B14R1.776 CCCSCCc1ccc(cc1)C#N 62a_100000210303_100012161189 [0,2,0,0,0,0|2,0,0]=4 31116 B14R1.776 CCCSCCc1ccc(cc1)OC 62a_100000210303_100011713689 [0,2,0,0,0,0|2,0,0]=4 31117 B14R1.776 CCCSCCc1ccc(cc1)OC 62a_100011713689_100000210303 [0,2,0,0,0,0|2,0,0]=4 31118 B14R1.776 CCNCCCc1ccc(cc1)OC 2230a_100015185942_100000210202 [0,2,0,0,0,0|2,0,0]=4 31119 B14R1.776 CCNCCCc1ccc(cc1)OC 2230a_100015525214_100011740616 [0,2,0,0,0,0|2,0,0]=4 31120 B14R1.776 CCNCCCc1ccc(cc1)OC 270004a_100015525214_100011361577 [0,2,0,0,0,0|2,0,0]=4 31121 B14R1.776 CCNCCCc1ccc(cc1)OC 34a_100015185942_100000210202 [0,2,0,0,0,0|2,0,0]=4 31122 B14R1.776 CCOCCCc1ccc(cc1)C#N 34a_100000090602_100000210202 [0,2,0,0,0,0|2,0,0]=4 31123 B14R1.776 CCOCCCc1ccc(cc1)C#N 7a_100000090602_100000210202 [0,2,0,0,0,0|2,0,0]=4 31124 B14R1.776 CCOCCCc1ccc(cc1)OC 34a_100011215180_100000210202 [0,2,0,0,0,0|2,0,0]=4 31125 B14R1.776 CCOCCCc1ccc(cc1)OC 7a_100011215180_100000210202 [0,2,0,0,0,0|2,0,0]=4 31126 B14R1.776 CCSCCCc1ccc(cc1)OC 62a_100000210202_100011740616 [0,2,0,0,0,0|2,0,0]=4 31127 B14R1.776 CCSCCCc1ccc(cc1)OC 62a_100011740616_100000210202 [0,2,0,0,0,0|2,0,0]=4 31128 B14R1.776 CCc1ccc(cc1)CCNCCF 2230a_100025712186_100011217306 [0,2,0,0,0,0|2,0,0]=4 31129 B14R1.776 CCc1ccc(cc1)CCNCCF 34a_100025712186_100011217306 [0,2,0,0,0,0|2,0,0]=4 31130 B14R1.776 CCc1ccc(cc1)CCNCCO 2230a_100025712186_100000211926 [0,2,0,0,0,0|1,0,0]=3 31131 B14R1.776 CCc1ccc(cc1)CCNCCO 34a_100025712186_100000211926 [0,2,0,0,0,0|1,0,0]=3 31132 B14R1.776 CCc1ccc(cc1)CNCCCF 207a_100015189416_100000211036 [0,2,0,0,0,0|2,0,0]=4 31133 B14R1.776 CCc1ccc(cc1)CNCCCF 2230a_100000721222_100011934791 [0,2,0,0,0,0|2,0,0]=4 31134 B14R1.776 CCc1ccc(cc1)CNCCCF 2230a_100015189416_100000747183 [0,2,0,0,0,0|2,0,0]=4 31135 B14R1.776 CCc1ccc(cc1)CNCCCF 270004a_100015189416_100000211036 [0,2,0,0,0,0|2,0,0]=4 31136 B14R1.776 CCc1ccc(cc1)CNCCCF 34a_100000721222_100011934791 [0,2,0,0,0,0|2,0,0]=4 31137 B14R1.776 CCc1ccc(cc1)CNCCCF 34a_100015189416_100000747183 [0,2,0,0,0,0|2,0,0]=4 31138 B14R1.776 CCc1ccc(cc1)CNCCCO 207a_100000182051_100000211036 [0,2,0,0,0,0|1,0,0]=3 31139 B14R1.776 CCc1ccc(cc1)CNCCCO 2230a_100000721222_100000230001 [0,2,0,0,0,0|1,0,0]=3 31140 B14R1.776 CCc1ccc(cc1)CNCCCO 270004a_100000182051_100000211036 [0,2,0,0,0,0|1,0,0]=3 31141 B14R1.776 CCc1ccc(cc1)CNCCCO 34a_100000721222_100000230001 [0,2,0,0,0,0|1,0,0]=3 31142 B14R1.776 CCc1ccc(cc1)COCCCBr 34a_100011217188_100000747183 [0,2,0,0,0,0|2,0,0]=4 31143 B14R1.776 CCc1ccc(cc1)COCCCCl 34a_100000230001_100000747183 [0,2,0,0,0,0|2,0,0]=4 31144 B14R1.776 CCc1ccc(cc1)COCCCF 34a_100000702245_100011934791 [0,2,0,0,0,0|2,0,0]=4 31145 B14R1.776 CCc1ccc(cc1)COCCCF 34a_100000759539_100000747183 [0,2,0,0,0,0|2,0,0]=4 31146 B14R1.776 CCc1ccc(cc1)COCCCF 7a_100000702245_100011934791 [0,2,0,0,0,0|2,0,0]=4 31147 B14R1.776 CCc1ccc(cc1)COCCCN 34a_100000182051_100000747183 [0,2,0,0,0,0|2,0,0]=4 31148 B14R1.776 CCc1ccc(cc1)COCCCO 34a_100000702245_100000230001 [0,2,0,0,0,0|1,0,0]=3 31149 B14R1.776 CCc1ccc(cc1)COCCCO 7a_100000702245_100011215043 [0,2,0,0,0,0|1,0,0]=3 31150 B14R1.776 CCc1ccc(cc1)CSCCCF 62a_100000757233_100011934791 [0,2,0,0,0,0|2,0,0]=4 31151 B14R1.776 CCc1ccc(cc1)CSCCCF 62a_100011934791_100000747183 [0,2,0,0,0,0|2,0,0]=4 31152 B14R1.776 CCc1ccc(cc1)CSCCCO 62a_100000757233_100011215043 [0,2,0,0,0,0|1,0,0]=3 31153 B14R1.776 CCc1ccc(cc1)CSCCCO 62a_100011215043_100000747183 [0,2,0,0,0,0|1,0,0]=3 31154 B14R1.776 CCc1ccc(cc1)NCCCCF 2230a_100000211069_100000729493 [0,2,0,0,0,0|2,0,0]=4 31155 B14R1.776 CCc1ccc(cc1)NCCCCF 34a_100000211069_100000729493 [0,2,0,0,0,0|2,0,0]=4 31156 B14R1.776 CCc1ccc(cc1)NCCCCO 2230a_100000211069_100000210776 [0,2,0,0,0,0|1,0,0]=3 31157 B14R1.776 CCc1ccc(cc1)NCCCCO 34a_100000211069_100011216708 [0,2,0,0,0,0|1,0,0]=3 31158 B14R1.776 CCc1ccc(cc1)OCCCCF 34a_100000211359_100000729493 [0,2,0,0,0,0|2,0,0]=4 31159 B14R1.776 CCc1ccc(cc1)OCCCCF 7a_100000211359_100000729493 [0,2,0,0,0,0|2,0,0]=4 31160 B14R1.776 CCc1ccc(cc1)OCCCCO 34a_100000211359_100011216708 [0,2,0,0,0,0|1,0,0]=3 31161 B14R1.776 CCc1ccc(cc1)OCCCCO 7a_100000211359_100000210776 [0,2,0,0,0,0|1,0,0]=3 31162 B14R1.776 CCc1ccc(cc1)SCCCCF 62a_100000729493_100011215824 [0,2,0,0,0,0|2,0,0]=4 31163 B14R1.776 CCc1ccc(cc1)SCCCCF 62a_100011215824_100000729493 [0,2,0,0,0,0|2,0,0]=4 31164 B14R1.776 CCc1ccc(cc1)SCCCCO 62a_100000210776_100011215824 [0,2,0,0,0,0|1,0,0]=3 31165 B14R1.776 CCc1ccc(cc1)SCCCCO 62a_100011215824_100000210776 [0,2,0,0,0,0|1,0,0]=3 31166 B14R1.776 CCc1ccc(cn1)SCCCCO 62a_100000210776_100009820025 [0,2,0,0,0,0|2,0,0]=4 31167 B14R1.776 CCc1ccc(cn1)SCCCCO 62a_100009820025_100000210776 [0,2,0,0,0,0|2,0,0]=4 31168 B14R1.776 CCc1ccc(nc1)CCOCCO 34a_100000702088_100000211926 [0,2,0,0,0,0|2,0,0]=4 31169 B14R1.776 CCc1ccc(nc1)CCOCCO 7a_100000702088_100000211926 [0,2,0,0,0,0|2,0,0]=4 31170 B14R1.776 CCc1ccc(nc1)CNCCCO 207a_100000182051_100000069529 [0,2,0,0,0,0|2,0,0]=4 31171 B14R1.776 CCc1ccc(nc1)CNCCCO 2230a_100000069493_100000230001 [0,2,0,0,0,0|2,0,0]=4 31172 B14R1.776 CCc1ccc(nc1)CNCCCO 270004a_100000182051_100000069529 [0,2,0,0,0,0|2,0,0]=4 31173 B14R1.776 CCc1ccc(nc1)CNCCCO 34a_100000069493_100000230001 [0,2,0,0,0,0|2,0,0]=4 31174 B14R1.776 CCc1ccc(nc1)COCCCO 34a_100000068455_100000230001 [0,2,0,0,0,0|2,0,0]=4 31175 B14R1.776 CCc1ccc(nc1)SCCCCO 62a_100000210776_100009843584 [0,2,0,0,0,0|2,0,0]=4 31176 B14R1.776 CCc1ccc(nc1)SCCCCO 62a_100009843584_100000210776 [0,2,0,0,0,0|2,0,0]=4 31177 B14R1.776 CNCCCCc1ccc(cc1)OC 2230a_106832991635_100012285823 [0,2,0,0,0,0|2,0,0]=4 31178 B14R1.776 CNCCCCc1ccc(cc1)OC 7a_106832991635_100012285823 [0,2,0,0,0,0|2,0,0]=4 31179 B14R1.776 CNc1ccc(cc1)OCCCCF 34a_100000182112_100000729493 [0,2,0,0,0,0|2,0,0]=4 31180 B14R1.776 CNc1ccc(cc1)OCCCCO 34a_100000182112_100011216708 [0,2,0,0,0,0|1,0,0]=3 31181 B14R1.776 CNc1ccc(cc1)SCCCCF 62a_100000729493_100000743151 [0,2,0,0,0,0|2,0,0]=4 31182 B14R1.776 CNc1ccc(cc1)SCCCCF 62a_100000743151_100000729493 [0,2,0,0,0,0|2,0,0]=4 31183 B14R1.776 CNc1ccc(cc1)SCCCCO 62a_100000210776_100000743151 [0,2,0,0,0,0|1,0,0]=3 31184 B14R1.776 CNc1ccc(cc1)SCCCCO 62a_100000743151_100000210776 [0,2,0,0,0,0|1,0,0]=3 31185 B14R1.776 CNc1ccc(cn1)SCCCCO 62a_100000210776_100000741341 [0,2,0,0,0,0|2,0,0]=4 31186 B14R1.776 CNc1ccc(cn1)SCCCCO 62a_100000741341_100000210776 [0,2,0,0,0,0|2,0,0]=4 31187 B14R1.776 CNc1ccc(nc1)SCCCCO 62a_100000210776_100000764248 [0,2,0,0,0,0|2,0,0]=4 31188 B14R1.776 CNc1ccc(nc1)SCCCCO 62a_100000764248_100000210776 [0,2,0,0,0,0|2,0,0]=4 31189 B14R1.776 COCCCCc1ccc(cc1)OC 34a_100011217973_200000210301 [0,2,0,0,0,0|2,0,0]=4 31190 B14R1.776 COCCCCc1ccc(cc1)OC 7a_100011217973_200000210301 [0,2,0,0,0,0|2,0,0]=4 31191 B14R1.776 COc1ccc(cc1)CCCCO[13CH3] 34a_100011217973_200025704644 [0,2,0,0,0,0|2,0,0]=4 31192 B14R1.776 COc1ccc(cc1)CCCCO[13CH3] 7a_100011217973_200025704644 [0,2,0,0,0,0|2,0,0]=4 31193 B14R1.776 COc1ccc(cc1)CCCCSC 62a_200000210301_100012285823 [0,2,0,0,0,0|2,0,0]=4 31194 B14R1.776 COc1ccc(cc1)CCCCS[13CH3] 62a_200025704644_100012285823 [0,2,0,0,0,0|2,0,0]=4 31195 B14R1.776 COc1ccc(cc1)CCCNCF 34a_100015185942_100015361967 [0,2,0,0,0,0|2,0,0]=4 31196 B14R1.776 COc1ccc(cc1)CCCOCF 34a_100011215180_100015361967 [0,2,0,0,0,0|2,0,0]=4 31197 B14R1.776 COc1ccc(cc1)CCCOCF 7a_100011215180_100015361967 [0,2,0,0,0,0|2,0,0]=4 31198 B14R1.776 COc1ccc(cc1)CCCSCF 62a_100011740616_100015361967 [0,2,0,0,0,0|2,0,0]=4 31199 B14R1.776 COc1ccc(cc1)CCCSCF 62a_100015361967_100011740616 [0,2,0,0,0,0|2,0,0]=4 31200 B14R1.776 COc1ccc(cc1)CCNCCF 2230a_100000210796_100011217306 [0,2,0,0,0,0|2,0,0]=4 31201 B14R1.776 COc1ccc(cc1)CCNCCF 34a_100000210796_100011217306 [0,2,0,0,0,0|2,0,0]=4 31202 B14R1.776 COc1ccc(cc1)CCNCCF 34a_100000724931_100000184700 [0,2,0,0,0,0|2,0,0]=4 31203 B14R1.776 COc1ccc(cc1)CCNCCO 2230a_100000210796_100000211926 [0,2,0,0,0,0|1,0,0]=3 31204 B14R1.776 COc1ccc(cc1)CCNCCO 2230a_100016997473_100011713689 [0,2,0,0,0,0|1,0,0]=3 31205 B14R1.776 COc1ccc(cc1)CCNCCO 270004a_100000210304_100011242372 [0,2,0,0,0,0|1,0,0]=3 31206 B14R1.776 COc1ccc(cc1)CCNCCO 34a_100000210796_100000211926 [0,2,0,0,0,0|1,0,0]=3 31207 B14R1.776 COc1ccc(cc1)CCNCCO 34a_100016990907_100000184700 [0,2,0,0,0,0|1,0,0]=3 31208 B14R1.776 COc1ccc(cc1)CCOCCBr 34a_100000211926_100000184700 [0,2,0,0,0,0|2,0,0]=4 31209 B14R1.776 COc1ccc(cc1)CCOCCF 34a_100011219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 31210 B14R1.776 COc1ccc(cc1)CCOCCF 7a_100011219623_100011217306 [0,2,0,0,0,0|2,0,0]=4 31211 B14R1.776 COc1ccc(cc1)CCOCCN 34a_100000210304_100000184700 [0,2,0,0,0,0|2,0,0]=4 31212 B14R1.776 COc1ccc(cc1)CCOCCO 34a_100011219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 31213 B14R1.776 COc1ccc(cc1)CCOCCO 7a_100011219623_100000211926 [0,2,0,0,0,0|1,0,0]=3 31214 B14R1.776 COc1ccc(cc1)CCSCCF 62a_100011217306_100011713689 [0,2,0,0,0,0|2,0,0]=4 31215 B14R1.776 COc1ccc(cc1)CCSCCF 62a_100011713689_100011217306 [0,2,0,0,0,0|2,0,0]=4 31216 B14R1.776 COc1ccc(cc1)CCSCCO 62a_100000211926_100011713689 [0,2,0,0,0,0|1,0,0]=3 31217 B14R1.776 COc1ccc(cc1)CCSCCO 62a_100011713689_100000211926 [0,2,0,0,0,0|1,0,0]=3 31218 B14R1.776 COc1ccc(cc1)CNCCCF 207a_100015189416_100000169835 [0,2,0,0,0,0|2,0,0]=4 31219 B14R1.776 COc1ccc(cc1)CNCCCF 2230a_100015189416_100000742318 [0,2,0,0,0,0|2,0,0]=4 31220 B14R1.776 COc1ccc(cc1)CNCCCF 270004a_100015189416_100000169835 [0,2,0,0,0,0|2,0,0]=4 31221 B14R1.776 COc1ccc(cc1)CNCCCF 34a_100000185587_100011934791 [0,2,0,0,0,0|2,0,0]=4 31222 B14R1.776 COc1ccc(cc1)CNCCCF 34a_100015189416_100000742318 [0,2,0,0,0,0|2,0,0]=4 31223 B14R1.776 COc1ccc(cc1)CNCCCO 207a_100000182051_100000169835 [0,2,0,0,0,0|1,0,0]=3 31224 B14R1.776 COc1ccc(cc1)CNCCCO 270004a_100000182051_100000169835 [0,2,0,0,0,0|1,0,0]=3 31225 B14R1.776 COc1ccc(cc1)CNCCCO 34a_100000185587_100000230001 [0,2,0,0,0,0|1,0,0]=3 31226 B14R1.776 COc1ccc(cc1)COCCCBr 34a_100011217188_100000742318 [0,2,0,0,0,0|2,0,0]=4 31227 B14R1.776 COc1ccc(cc1)COCCCCl 34a_100000230001_100000742318 [0,2,0,0,0,0|2,0,0]=4 31228 B14R1.776 COc1ccc(cc1)COCCCF 34a_100000173359_100011934791 [0,2,0,0,0,0|2,0,0]=4 31229 B14R1.776 COc1ccc(cc1)COCCCF 34a_100000759539_100000742318 [0,2,0,0,0,0|2,0,0]=4 31230 B14R1.776 COc1ccc(cc1)COCCCN 34a_100000182051_100000742318 [0,2,0,0,0,0|2,0,0]=4 31231 B14R1.776 COc1ccc(cc1)COCCCO 34a_100000173359_100000230001 [0,2,0,0,0,0|1,0,0]=3 31232 B14R1.776 COc1ccc(cc1)CSCCCF 62a_100011934791_100000742318 [0,2,0,0,0,0|2,0,0]=4 31233 B14R1.776 COc1ccc(cc1)CSCCCO 62a_100011215043_100000742318 [0,2,0,0,0,0|1,0,0]=3 31234 B14R1.776 COc1ccc(cc1)NCCCCF 34a_100000184247_100000729493 [0,2,0,0,0,0|2,0,0]=4 31235 B14R1.776 COc1ccc(cc1)NCCCCO 34a_100000184247_100011216708 [0,2,0,0,0,0|1,0,0]=3 31236 B14R1.776 COc1ccc(cc1)OCCCCF 34a_100000210503_100000729493 [0,2,0,0,0,0|2,0,0]=4 31237 B14R1.776 COc1ccc(cc1)OCCCCO 34a_100000210503_100011216708 [0,2,0,0,0,0|1,0,0]=3 31238 B14R1.776 COc1ccc(cc1)SCCCCF 62a_100000729493_100000171711 [0,2,0,0,0,0|2,0,0]=4 31239 B14R1.776 COc1ccc(cc1)SCCCCO 62a_100000210776_100000171711 [0,2,0,0,0,0|1,0,0]=3 31240 B14R1.776 COc1ccc(cn1)CCNCCO 2230a_100011998949_100000211926 [0,2,0,0,0,0|2,0,0]=4 31241 B14R1.776 COc1ccc(cn1)CCNCCO 34a_100011998949_100000211926 [0,2,0,0,0,0|2,0,0]=4 31242 B14R1.776 COc1ccc(cn1)CNCCCO 207a_100000182051_100000761633 [0,2,0,0,0,0|2,0,0]=4 31243 B14R1.776 COc1ccc(cn1)CNCCCO 2230a_100000241975_100000230001 [0,2,0,0,0,0|2,0,0]=4 31244 B14R1.776 COc1ccc(cn1)CNCCCO 270004a_100000182051_100000761633 [0,2,0,0,0,0|2,0,0]=4 31245 B14R1.776 COc1ccc(cn1)COCCCO 34a_100000763316_100000230001 [0,2,0,0,0,0|2,0,0]=4 31246 B14R1.776 COc1ccc(cn1)CSCCCO 62a_100011215043_100020631284 [0,2,0,0,0,0|2,0,0]=4 31247 B14R1.776 COc1ccc(cn1)CSCCCO 62a_100020631284_100011215043 [0,2,0,0,0,0|2,0,0]=4 31248 B14R1.776 COc1ccc(cn1)OCCCCO 34a_100011934560_100011216708 [0,2,0,0,0,0|2,0,0]=4 31249 B14R1.776 COc1ccc(cn1)SCCCCO 62a_100000047065_100000210776 [0,2,0,0,0,0|2,0,0]=4 31250 B14R1.776 COc1ccc(cn1)SCCCCO 62a_100000210776_100000047065 [0,2,0,0,0,0|2,0,0]=4 31251 B14R1.776 COc1ccc(nc1)CNCCCO 207a_100000182051_100000701244 [0,2,0,0,0,0|2,0,0]=4 31252 B14R1.776 COc1ccc(nc1)CNCCCO 270004a_100000182051_100000701244 [0,2,0,0,0,0|2,0,0]=4 31253 B14R1.776 COc1ccc(nc1)CNCCCO 34a_100000703904_100000230001 [0,2,0,0,0,0|2,0,0]=4 31254 B14R1.776 COc1ccc(nc1)COCCCO 34a_100011998694_100000230001 [0,2,0,0,0,0|2,0,0]=4 31255 B14R1.776 COc1ccc(nc1)CSCCCO 62a_100011215043_200000757186 [0,2,0,0,0,0|2,0,0]=4 31256 B14R1.776 COc1ccc(nc1)CSCCCO 62a_200000757186_100011215043 [0,2,0,0,0,0|2,0,0]=4 31257 B14R1.776 COc1ccc(nc1)OCCCCO 34a_100012002028_100011216708 [0,2,0,0,0,0|2,0,0]=4 31258 B14R1.776 COc1ccc(nc1)SCCCCO 62a_100000210776_100000744180 [0,2,0,0,0,0|2,0,0]=4 31259 B14R1.776 COc1ccc(nc1)SCCCCO 62a_100000755202_100000210776 [0,2,0,0,0,0|2,0,0]=4 31260 B14R1.776 CSc1ccc(cc1)CNCCCF 207a_100015189416_100000211154 [0,2,0,0,0,0|2,0,0]=4 31261 B14R1.776 CSc1ccc(cc1)CNCCCF 2230a_100000174980_100011934791 [0,2,0,0,0,0|2,0,0]=4 31262 B14R1.776 CSc1ccc(cc1)CNCCCF 2230a_100015189416_100000181263 [0,2,0,0,0,0|2,0,0]=4 31263 B14R1.776 CSc1ccc(cc1)CNCCCF 270004a_100015189416_100000211154 [0,2,0,0,0,0|2,0,0]=4 31264 B14R1.776 CSc1ccc(cc1)CNCCCF 34a_100000174980_100011934791 [0,2,0,0,0,0|2,0,0]=4 31265 B14R1.776 CSc1ccc(cc1)CNCCCF 34a_100015189416_100000181263 [0,2,0,0,0,0|2,0,0]=4 31266 B14R1.776 CSc1ccc(cc1)CNCCCO 207a_100000182051_100000211154 [0,2,0,0,0,0|1,0,0]=3 31267 B14R1.776 CSc1ccc(cc1)CNCCCO 2230a_100000174980_100000230001 [0,2,0,0,0,0|1,0,0]=3 31268 B14R1.776 CSc1ccc(cc1)CNCCCO 270004a_100000182051_100000211154 [0,2,0,0,0,0|1,0,0]=3 31269 B14R1.776 CSc1ccc(cc1)CNCCCO 34a_100000174980_100000230001 [0,2,0,0,0,0|1,0,0]=3 31270 B14R1.776 CSc1ccc(cc1)COCCCBr 34a_100011217188_100000181263 [0,2,0,0,0,0|2,0,0]=4 31271 B14R1.776 CSc1ccc(cc1)COCCCCl 34a_100000230001_100000181263 [0,2,0,0,0,0|2,0,0]=4 31272 B14R1.776 CSc1ccc(cc1)COCCCF 34a_100000759539_100000181263 [0,2,0,0,0,0|2,0,0]=4 31273 B14R1.776 CSc1ccc(cc1)COCCCF 34a_100011215404_100011934791 [0,2,0,0,0,0|2,0,0]=4 31274 B14R1.776 CSc1ccc(cc1)COCCCF 7a_100011215404_100011934791 [0,2,0,0,0,0|2,0,0]=4 31275 B14R1.776 CSc1ccc(cc1)COCCCN 34a_100000182051_100000181263 [0,2,0,0,0,0|2,0,0]=4 31276 B14R1.776 CSc1ccc(cc1)COCCCO 34a_100011215404_100000230001 [0,2,0,0,0,0|1,0,0]=3 31277 B14R1.776 CSc1ccc(cc1)COCCCO 7a_100011215404_100011215043 [0,2,0,0,0,0|1,0,0]=3 31278 B14R1.776 CSc1ccc(cc1)CSCCCF 62a_100000181263_100011934791 [0,2,0,0,0,0|2,0,0]=4 31279 B14R1.776 CSc1ccc(cc1)CSCCCF 62a_100011934791_100000181263 [0,2,0,0,0,0|2,0,0]=4 31280 B14R1.776 CSc1ccc(cc1)CSCCCO 62a_100000181263_100011215043 [0,2,0,0,0,0|1,0,0]=3 31281 B14R1.776 CSc1ccc(cc1)CSCCCO 62a_100011215043_100000181263 [0,2,0,0,0,0|1,0,0]=3 31282 B14R1.776 CSc1ccc(cc1)NCCCCF 34a_100000212337_100000729493 [0,2,0,0,0,0|2,0,0]=4 31283 B14R1.776 CSc1ccc(cc1)NCCCCO 34a_100000212337_100011216708 [0,2,0,0,0,0|1,0,0]=3 31284 B14R1.776 CSc1ccc(cc1)OCCCCF 34a_100000211864_100000729493 [0,2,0,0,0,0|2,0,0]=4 31285 B14R1.776 CSc1ccc(cc1)OCCCCO 34a_100000211864_100011216708 [0,2,0,0,0,0|1,0,0]=3 31286 B14R1.776 CSc1ccc(cc1)SCCCCF 62a_100000729493_100011263217 [0,2,0,0,0,0|2,0,0]=4 31287 B14R1.776 CSc1ccc(cc1)SCCCCF 62a_100011263217_100000729493 [0,2,0,0,0,0|2,0,0]=4 31288 B14R1.776 CSc1ccc(cc1)SCCCCO 62a_100000210776_100011263217 [0,2,0,0,0,0|1,0,0]=3 31289 B14R1.776 CSc1ccc(cc1)SCCCCO 62a_100011263217_100000210776 [0,2,0,0,0,0|1,0,0]=3 31290 B14R1.776 CSc1ccc(cn1)SCCCCO 62a_100000210776_100011408404 [0,2,0,0,0,0|2,0,0]=4 31291 B14R1.776 CSc1ccc(cn1)SCCCCO 62a_100011408404_100000210776 [0,2,0,0,0,0|2,0,0]=4 31292 B14R1.776 CSc1ccc(nc1)NCCCCO 27a_100000750430_100009820866 [0,2,0,0,0,0|2,0,0]=4 31293 B14R1.776 CSc1ccc(nc1)SCCCCO 62a_100000210776_100009820866 [0,2,0,0,0,0|2,0,0]=4 31294 B14R1.776 CSc1ccc(nc1)SCCCCO 62a_100009820866_100000210776 [0,2,0,0,0,0|2,0,0]=4 31295 B14R1.776 FCCCCSc1ccc(cc1)CF 62a_100000729493_100010268989 [0,2,0,0,0,0|2,0,0]=4 31296 B14R1.776 FCCCCSc1ccc(cc1)CF 62a_100010268989_100000729493 [0,2,0,0,0,0|2,0,0]=4 31297 B14R1.776 FCCCOCc1ccc(cc1)CBr 34a_100012353999_100011934791 [0,2,0,0,0,0|2,0,0]=4 31298 B14R1.776 FCCCOCc1ccc(cc1)CBr 7a_100012353999_100011934791 [0,2,0,0,0,0|2,0,0]=4 31299 B14R1.776 FCCCOCc1ccc(cc1)CCl 34a_100000067286_100011934791 [0,2,0,0,0,0|2,0,0]=4 31300 B14R1.776 FCCCOCc1ccc(cc1)CCl 7a_100000067286_100011934791 [0,2,0,0,0,0|2,0,0]=4 31301 B14R1.776 N#Cc1ccc(cc1)CCCOCF 34a_100000090602_100015361967 [0,2,0,0,0,0|2,0,0]=4 31302 B14R1.776 N#Cc1ccc(cc1)CCCOCF 7a_100000090602_100015361967 [0,2,0,0,0,0|2,0,0]=4 31303 B14R1.776 N#Cc1ccc(cc1)CCNCCF 2230a_100015189369_100011217306 [0,2,0,0,0,0|2,0,0]=4 31304 B14R1.776 N#Cc1ccc(cc1)CCNCCF 34a_100000724931_100012161189 [0,2,0,0,0,0|2,0,0]=4 31305 B14R1.776 N#Cc1ccc(cc1)CCNCCF 34a_100015189369_100011217306 [0,2,0,0,0,0|2,0,0]=4 31306 B14R1.776 N#Cc1ccc(cc1)CCNCCO 2230a_100015189369_100000211926 [0,2,0,0,0,0|1,0,0]=3 31307 B14R1.776 N#Cc1ccc(cc1)CCNCCO 2230a_100016997473_100012161189 [0,2,0,0,0,0|1,0,0]=3 31308 B14R1.776 N#Cc1ccc(cc1)CCNCCO 34a_100015189369_100000211926 [0,2,0,0,0,0|1,0,0]=3 31309 B14R1.776 N#Cc1ccc(cc1)CCNCCO 34a_100016990907_100012161189 [0,2,0,0,0,0|1,0,0]=3 31310 B14R1.776 N#Cc1ccc(cc1)CCOCCBr 34a_100000211926_100012161189 [0,2,0,0,0,0|2,0,0]=4 31311 B14R1.776 N#Cc1ccc(cc1)CCOCCF 34a_100011219507_100011217306 [0,2,0,0,0,0|2,0,0]=4 31312 B14R1.776 N#Cc1ccc(cc1)CCOCCF 7a_100011219507_100011217306 [0,2,0,0,0,0|2,0,0]=4 31313 B14R1.776 N#Cc1ccc(cc1)CCOCCN 34a_100000210304_100012161189 [0,2,0,0,0,0|2,0,0]=4 31314 B14R1.776 N#Cc1ccc(cc1)CCOCCO 34a_100011219507_100000211926 [0,2,0,0,0,0|1,0,0]=3 31315 B14R1.776 N#Cc1ccc(cc1)CCOCCO 7a_100011219507_100000211926 [0,2,0,0,0,0|1,0,0]=3 31316 B14R1.776 N#Cc1ccc(cc1)CCSCCF 62a_100011217306_100012161189 [0,2,0,0,0,0|2,0,0]=4 31317 B14R1.776 N#Cc1ccc(cc1)CCSCCO 62a_100000211926_100012161189 [0,2,0,0,0,0|1,0,0]=3 31318 B14R1.776 N#Cc1ccc(cc1)CNCCCF 207a_100015189416_100000211122 [0,2,0,0,0,0|2,0,0]=4 31319 B14R1.776 N#Cc1ccc(cc1)CNCCCF 2230a_100015189416_100000184898 [0,2,0,0,0,0|2,0,0]=4 31320 B14R1.776 N#Cc1ccc(cc1)CNCCCF 270004a_100015189416_100000211122 [0,2,0,0,0,0|2,0,0]=4 31321 B14R1.776 N#Cc1ccc(cc1)CNCCCF 34a_100015189416_100000184898 [0,2,0,0,0,0|2,0,0]=4 31322 B14R1.776 N#Cc1ccc(cc1)CNCCCF 34a_100015207190_100011934791 [0,2,0,0,0,0|2,0,0]=4 31323 B14R1.776 N#Cc1ccc(cc1)CNCCCO 207a_100000182051_100000211122 [0,2,0,0,0,0|1,0,0]=3 31324 B14R1.776 N#Cc1ccc(cc1)CNCCCO 270004a_100000182051_100000211122 [0,2,0,0,0,0|1,0,0]=3 31325 B14R1.776 N#Cc1ccc(cc1)CNCCCO 34a_100015207190_100000230001 [0,2,0,0,0,0|1,0,0]=3 31326 B14R1.776 N#Cc1ccc(cc1)COCCCBr 34a_100011217188_100000184898 [0,2,0,0,0,0|2,0,0]=4 31327 B14R1.776 N#Cc1ccc(cc1)COCCCCl 34a_100000230001_100000184898 [0,2,0,0,0,0|2,0,0]=4 31328 B14R1.776 N#Cc1ccc(cc1)COCCCF 34a_100000238739_100011934791 [0,2,0,0,0,0|2,0,0]=4 31329 B14R1.776 N#Cc1ccc(cc1)COCCCF 34a_100000759539_100000184898 [0,2,0,0,0,0|2,0,0]=4 31330 B14R1.776 N#Cc1ccc(cc1)COCCCF 7a_100000238739_100011934791 [0,2,0,0,0,0|2,0,0]=4 31331 B14R1.776 N#Cc1ccc(cc1)COCCCN 34a_100000182051_100000184898 [0,2,0,0,0,0|2,0,0]=4 31332 B14R1.776 N#Cc1ccc(cc1)COCCCO 34a_100000238739_100000230001 [0,2,0,0,0,0|1,0,0]=3 31333 B14R1.776 N#Cc1ccc(cc1)COCCCO 7a_100000238739_100011215043 [0,2,0,0,0,0|1,0,0]=3 31334 B14R1.776 N#Cc1ccc(cc1)CSCCCF 62a_100011934791_100000184898 [0,2,0,0,0,0|2,0,0]=4 31335 B14R1.776 N#Cc1ccc(cc1)CSCCCO 62a_100011215043_100000184898 [0,2,0,0,0,0|1,0,0]=3 31336 B14R1.776 N#Cc1ccc(cc1)NCCCCF 34a_100000185469_100000729493 [0,2,0,0,0,0|2,0,0]=4 31337 B14R1.776 N#Cc1ccc(cc1)NCCCCO 34a_100000185469_100011216708 [0,2,0,0,0,0|1,0,0]=3 31338 B14R1.776 N#Cc1ccc(cc1)OCCCCF 34a_100000210344_100000729493 [0,2,0,0,0,0|2,0,0]=4 31339 B14R1.776 N#Cc1ccc(cc1)OCCCCF 7a_100000210344_100000729493 [0,2,0,0,0,0|2,0,0]=4 31340 B14R1.776 N#Cc1ccc(cc1)OCCCCO 34a_100000210344_100011216708 [0,2,0,0,0,0|1,0,0]=3 31341 B14R1.776 N#Cc1ccc(cc1)OCCCCO 7a_100000210344_100000210776 [0,2,0,0,0,0|1,0,0]=3 31342 B14R1.776 N#Cc1ccc(cc1)SCCCCF 62a_100000729493_100000184291 [0,2,0,0,0,0|2,0,0]=4 31343 B14R1.776 N#Cc1ccc(cc1)SCCCCO 62a_100000210776_100000184291 [0,2,0,0,0,0|1,0,0]=3 31344 B14R1.776 N#Cc1ccc(cn1)CNCCCO 270004a_100000182051_100000064383 [0,2,0,0,0,0|2,0,0]=4 31345 B14R1.776 N#Cc1ccc(cn1)COCCCO 34a_100000090650_100000230001 [0,2,0,0,0,0|2,0,0]=4 31346 B14R1.776 N#Cc1ccc(cn1)COCCCO 7a_100000090650_100011215043 [0,2,0,0,0,0|2,0,0]=4 31347 B14R1.776 N#Cc1ccc(cn1)CSCCCO 62a_100011215043_100009816919 [0,2,0,0,0,0|2,0,0]=4 31348 B14R1.776 N#Cc1ccc(cn1)OCCCCO 34a_100011934750_100011216708 [0,2,0,0,0,0|2,0,0]=4 31349 B14R1.776 N#Cc1ccc(cn1)OCCCCO 7a_100011934750_100000210776 [0,2,0,0,0,0|2,0,0]=4 31350 B14R1.776 N#Cc1ccc(cn1)SCCCCO 62a_100000210776_100000760455 [0,2,0,0,0,0|2,0,0]=4 31351 B14R1.776 N#Cc1ccc(nc1)CNCCCO 270004a_100000182051_100009884217 [0,2,0,0,0,0|2,0,0]=4 31352 B14R1.776 N#Cc1ccc(nc1)COCCCO 34a_100000101912_100000230001 [0,2,0,0,0,0|2,0,0]=4 31353 B14R1.776 N#Cc1ccc(nc1)CSCCCO 62a_100011215043_100000693164 [0,2,0,0,0,0|2,0,0]=4 31354 B14R1.776 N#Cc1ccc(nc1)NCCCCO 27a_100000750430_100000241038 [0,2,0,0,0,0|2,0,0]=4 31355 B14R1.776 N#Cc1ccc(nc1)SCCCCO 62a_100000210776_100000241038 [0,2,0,0,0,0|2,0,0]=4 31356 B14R1.776 NCCCOCc1ccc(cc1)C=O 34a_100000182051_100009816848 [0,2,0,0,0,0|2,0,0]=4 31357 B14R1.776 NCCCOCc1ccc(cc1)CO 34a_100000182051_100000067286 [0,2,0,0,0,0|2,0,0]=4 31358 B14R1.776 NCc1ccc(cc1)COCCCF 34a_100015189231_100011934791 [0,2,0,0,0,0|2,0,0]=4 31359 B14R1.776 NCc1ccc(cc1)COCCCO 34a_100015189231_100000230001 [0,2,0,0,0,0|1,0,0]=3 31360 B14R1.776 NCc1ccc(cc1)OCCCCF 34a_100000185549_100000729493 [0,2,0,0,0,0|2,0,0]=4 31361 B14R1.776 NCc1ccc(cc1)OCCCCO 34a_100000185549_100011216708 [0,2,0,0,0,0|1,0,0]=3 31362 B14R1.776 NCc1ccc(cc1)SCCCCF 62a_100000729493_100016989417 [0,2,0,0,0,0|2,0,0]=4 31363 B14R1.776 NCc1ccc(cc1)SCCCCF 62a_100016989417_100000729493 [0,2,0,0,0,0|2,0,0]=4 31364 B14R1.776 NCc1ccc(cc1)SCCCCO 62a_100000210776_100016989417 [0,2,0,0,0,0|1,0,0]=3 31365 B14R1.776 NCc1ccc(cc1)SCCCCO 62a_100016989417_100000210776 [0,2,0,0,0,0|1,0,0]=3 31366 B14R1.776 NCc1ccc(cn1)OCCCCO 34a_100020605196_100011216708 [0,2,0,0,0,0|2,0,0]=4 31367 B14R1.776 NCc1ccc(cn1)SCCCCO 62a_100000210776_100015188789 [0,2,0,0,0,0|2,0,0]=4 31368 B14R1.776 NCc1ccc(cn1)SCCCCO 62a_100015188789_100000210776 [0,2,0,0,0,0|2,0,0]=4 31369 B14R1.776 NCc1ccc(nc1)OCCCCO 34a_100000757128_100011216708 [0,2,0,0,0,0|2,0,0]=4 31370 B14R1.776 NCc1ccc(nc1)SCCCCO 62a_100000210776_100000735879 [0,2,0,0,0,0|2,0,0]=4 31371 B14R1.776 NCc1ccc(nc1)SCCCCO 62a_100000735879_100000210776 [0,2,0,0,0,0|2,0,0]=4 31372 B14R1.776 NNc1ccc(cc1)SCCCCF 62a_100000729493_100016988836 [0,2,0,0,0,0|2,0,0]=4 31373 B14R1.776 NNc1ccc(cc1)SCCCCF 62a_100016988836_100000729493 [0,2,0,0,0,0|2,0,0]=4 31374 B14R1.776 NNc1ccc(cc1)SCCCCO 62a_100000210776_100016988836 [0,2,0,0,0,0|1,0,0]=3 31375 B14R1.776 NNc1ccc(cc1)SCCCCO 62a_100016988836_100000210776 [0,2,0,0,0,0|1,0,0]=3 31376 B14R1.776 NNc1ccc(cn1)SCCCCO 62a_100000210776_100000750576 [0,2,0,0,0,0|2,0,0]=4 31377 B14R1.776 NNc1ccc(cn1)SCCCCO 62a_100000750576_100000210776 [0,2,0,0,0,0|2,0,0]=4 31378 B14R1.776 NNc1ccc(nc1)SCCCCO 62a_100000210776_100000119030 [0,2,0,0,0,0|2,0,0]=4 31379 B14R1.776 NNc1ccc(nc1)SCCCCO 62a_100000755011_100000210776 [0,2,0,0,0,0|2,0,0]=4 31380 B14R1.776 O=Cc1ccc(cc1)CNCCCF 2230a_100015189416_100009816848 [0,2,0,0,0,0|2,0,0]=4 31381 B14R1.776 O=Cc1ccc(cc1)CNCCCF 34a_100015189416_100009816848 [0,2,0,0,0,0|2,0,0]=4 31382 B14R1.776 O=Cc1ccc(cc1)COCCCBr 34a_100011217188_100009816848 [0,2,0,0,0,0|2,0,0]=4 31383 B14R1.776 O=Cc1ccc(cc1)COCCCCl 34a_100000230001_100009816848 [0,2,0,0,0,0|2,0,0]=4 31384 B14R1.776 O=Cc1ccc(cc1)COCCCF 34a_100000759539_100009816848 [0,2,0,0,0,0|2,0,0]=4 31385 B14R1.776 O=Cc1ccc(cc1)CSCCCF 62a_100009816848_100011934791 [0,2,0,0,0,0|2,0,0]=4 31386 B14R1.776 O=Cc1ccc(cc1)CSCCCF 62a_100011934791_100009816848 [0,2,0,0,0,0|2,0,0]=4 31387 B14R1.776 O=Cc1ccc(cc1)CSCCCO 62a_100009816848_100011215043 [0,2,0,0,0,0|1,0,0]=3 31388 B14R1.776 O=Cc1ccc(cc1)CSCCCO 62a_100011215043_100009816848 [0,2,0,0,0,0|1,0,0]=3 31389 B14R1.776 O=Cc1ccc(cc1)SCCCCF 62a_100000188517_100000729493 [0,2,0,0,0,0|2,0,0]=4 31390 B14R1.776 O=Cc1ccc(cc1)SCCCCF 62a_100000729493_100000188517 [0,2,0,0,0,0|2,0,0]=4 31391 B14R1.776 O=Cc1ccc(cc1)SCCCCO 62a_100000188517_100000210776 [0,2,0,0,0,0|1,0,0]=3 31392 B14R1.776 O=Cc1ccc(cc1)SCCCCO 62a_100000210776_100000188517 [0,2,0,0,0,0|1,0,0]=3 31393 B14R1.776 O=Cc1ccc(cn1)SCCCCO 62a_100000210776_100000754260 [0,2,0,0,0,0|2,0,0]=4 31394 B14R1.776 O=Cc1ccc(cn1)SCCCCO 62a_100000754260_100000210776 [0,2,0,0,0,0|2,0,0]=4 31395 B14R1.776 O=Cc1ccc(nc1)SCCCCO 62a_100000210776_100000766901 [0,2,0,0,0,0|2,0,0]=4 31396 B14R1.776 O=Cc1ccc(nc1)SCCCCO 62a_100000766901_100000210776 [0,2,0,0,0,0|2,0,0]=4 31397 B14R1.776 OCCCCNc1ccc(cc1)CO 2230a_100011215238_100000210776 [0,2,0,0,0,0|1,0,0]=3 31398 B14R1.776 OCCCCNc1ccc(cc1)CO 34a_100011215238_100011216708 [0,2,0,0,0,0|1,0,0]=3 31399 B14R1.776 OCCCCOc1ccc(cc1)CO 34a_100000211755_100011216708 [0,2,0,0,0,0|1,0,0]=3 31400 B14R1.776 OCCCCOc1ccc(nc1)CO 34a_103436540053_100011216708 [0,2,0,0,0,0|2,0,0]=4 31401 B14R1.776 OCCCCSc1ccc(cc1)CF 62a_100000210776_100010268989 [0,2,0,0,0,0|1,0,0]=3 31402 B14R1.776 OCCCCSc1ccc(cc1)CF 62a_100010268989_100000210776 [0,2,0,0,0,0|1,0,0]=3 31403 B14R1.776 OCCCCSc1ccc(cc1)CO 62a_100000210776_100000690907 [0,2,0,0,0,0|1,0,0]=3 31404 B14R1.776 OCCCCSc1ccc(cc1)CO 62a_100000690907_100000210776 [0,2,0,0,0,0|1,0,0]=3 31405 B14R1.776 OCCCCSc1ccc(cn1)CO 62a_100000210776_100009816760 [0,2,0,0,0,0|2,0,0]=4 31406 B14R1.776 OCCCCSc1ccc(cn1)CO 62a_100009816760_100000210776 [0,2,0,0,0,0|2,0,0]=4 31407 B14R1.776 OCCCCSc1ccc(nc1)CO 62a_100000210776_100000754261 [0,2,0,0,0,0|2,0,0]=4 31408 B14R1.776 OCCCCSc1ccc(nc1)CO 62a_100000754261_100000210776 [0,2,0,0,0,0|2,0,0]=4 31409 B14R1.776 OCCCNCc1ccc(cc1)CO 207a_100000182051_100009832023 [0,2,0,0,0,0|1,0,0]=3 31410 B14R1.776 OCCCNCc1ccc(cc1)CO 2230a_100015189231_100000230001 [0,2,0,0,0,0|1,0,0]=3 31411 B14R1.776 OCCCNCc1ccc(cc1)CO 270004a_100000182051_100009832023 [0,2,0,0,0,0|1,0,0]=3 31412 B14R1.776 OCCCNCc1ccc(cc1)CO 34a_100015189231_100000230001 [0,2,0,0,0,0|1,0,0]=3 31413 B14R1.776 OCCCOCc1ccc(cc1)CBr 34a_100012353999_100000230001 [0,2,0,0,0,0|1,0,0]=3 31414 B14R1.776 OCCCOCc1ccc(cc1)CBr 7a_100012353999_100011215043 [0,2,0,0,0,0|1,0,0]=3 31415 B14R1.776 OCCCOCc1ccc(cc1)CCl 34a_100000067286_100000230001 [0,2,0,0,0,0|1,0,0]=3 31416 B14R1.776 OCCCOCc1ccc(cc1)CCl 7a_100000067286_100011215043 [0,2,0,0,0,0|1,0,0]=3 31417 B14R1.776 OCCCSCc1ccc(cc1)CO 62a_100000067286_100011215043 [0,2,0,0,0,0|1,0,0]=3 31418 B14R1.776 OCCCSCc1ccc(cc1)CO 62a_100011215043_100000067286 [0,2,0,0,0,0|1,0,0]=3 31419 B14R1.776 OCc1ccc(cc1)CNCCCF 207a_100015189416_100009832023 [0,2,0,0,0,0|2,0,0]=4 31420 B14R1.776 OCc1ccc(cc1)CNCCCF 2230a_100015189231_100011934791 [0,2,0,0,0,0|2,0,0]=4 31421 B14R1.776 OCc1ccc(cc1)CNCCCF 2230a_100015189416_100000067286 [0,2,0,0,0,0|2,0,0]=4 31422 B14R1.776 OCc1ccc(cc1)CNCCCF 270004a_100015189416_100009832023 [0,2,0,0,0,0|2,0,0]=4 31423 B14R1.776 OCc1ccc(cc1)CNCCCF 34a_100015189231_100011934791 [0,2,0,0,0,0|2,0,0]=4 31424 B14R1.776 OCc1ccc(cc1)CNCCCF 34a_100015189416_100000067286 [0,2,0,0,0,0|2,0,0]=4 31425 B14R1.776 OCc1ccc(cc1)COCCCBr 34a_100011217188_100000067286 [0,2,0,0,0,0|2,0,0]=4 31426 B14R1.776 OCc1ccc(cc1)COCCCCl 34a_100000230001_100000067286 [0,2,0,0,0,0|2,0,0]=4 31427 B14R1.776 OCc1ccc(cc1)COCCCF 34a_100000759539_100000067286 [0,2,0,0,0,0|2,0,0]=4 31428 B14R1.776 OCc1ccc(cc1)CSCCCF 62a_100000067286_100011934791 [0,2,0,0,0,0|2,0,0]=4 31429 B14R1.776 OCc1ccc(cc1)CSCCCF 62a_100011934791_100000067286 [0,2,0,0,0,0|2,0,0]=4 31430 B14R1.776 OCc1ccc(cc1)NCCCCF 2230a_100011215238_100000729493 [0,2,0,0,0,0|2,0,0]=4 31431 B14R1.776 OCc1ccc(cc1)NCCCCF 34a_100011215238_100000729493 [0,2,0,0,0,0|2,0,0]=4 31432 B14R1.776 OCc1ccc(cc1)OCCCCF 34a_100000211755_100000729493 [0,2,0,0,0,0|2,0,0]=4 31433 B14R1.776 OCc1ccc(cc1)SCCCCF 62a_100000690907_100000729493 [0,2,0,0,0,0|2,0,0]=4 31434 B14R1.776 OCc1ccc(cc1)SCCCCF 62a_100000729493_100000690907 [0,2,0,0,0,0|2,0,0]=4 31435 B14R1.29 CC(CC(=O)CCF)c1ccccc1 1458a_100000183687_100011217306 [0,2,0,0,0,0|1,0,1]=4 31436 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100000183687_100000211926 [0,2,0,0,0,0|0,0,1]=3 31437 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100011216618_100000756946 [0,2,0,0,0,0|0,0,1]=3 31438 B14R1.29 CC(CCBr)OC(C)c1ccccc1 34a_100012276601_100000211855 [0,2,0,0,0,0|2,0,0]=4 31439 B14R1.29 CC(CCO)NC(C)c1ccccn1 2230a_100000181244_100009893172 [0,2,0,0,0,0|2,0,0]=4 31440 B14R1.29 CC(CCO)NC(C)c1cccnc1 2230a_100000195435_100009893172 [0,2,0,0,0,0|2,0,0]=4 31441 B14R1.29 CC(CCO)NC(C)c1ccncc1 2230a_100000181269_100009893172 [0,2,0,0,0,0|2,0,0]=4 31442 B14R1.29 CC(CCO)N[C@H](C)c1ccccc1 2230a_100000751104_100009893172 [0,2,0,0,0,0|1,0,0]=3 31443 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 34a_100000761318_100009893172 [0,2,0,0,0,0|1,0,0]=3 31444 B14R1.29 CC(CCO)O[C@H](C)c1ccccc1 7a_100000761318_100009893172 [0,2,0,0,0,0|1,0,0]=3 31445 B14R1.29 CC(CCO)SC(C)c1ccccc1 62a_100000230085_100009893172 [0,2,0,0,0,0|1,0,0]=3 31446 B14R1.29 CC(CCO)SC(C)c1ccccc1 62a_100009893172_100000230085 [0,2,0,0,0,0|1,0,0]=3 31447 B14R1.29 CC(CN(C)CCO)c1ccccc1 2230a_100000210263_100000756946 [0,2,0,0,0,0|1,0,0]=3 31448 B14R1.29 CC(CN(C)CCO)c1ccccc1 269982a_100000210263_100000756946 [0,2,0,0,0,0|1,0,0]=3 31449 B14R1.29 CC(CN(C)CCO)c1ccccc1 270004a_100000210263_100000212034 [0,2,0,0,0,0|1,0,0]=3 31450 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000230085 [0,2,0,0,0,0|1,0,0]=3 31451 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 269862a_100000706166_100000185851 [0,2,0,0,0,0|1,0,0]=3 31452 B14R1.29 CC(N[C@H](C)CCO)c1ccccc1 34a_100000706166_100000211855 [0,2,0,0,0,0|1,0,0]=3 31453 B14R1.29 CC(N[C@H](C)CCO)c1ccccn1 269862a_100000706166_100000210467 [0,2,0,0,0,0|2,0,0]=4 31454 B14R1.29 CC(N[C@H](C)CCO)c1cccnc1 269862a_100000706166_100000210468 [0,2,0,0,0,0|2,0,0]=4 31455 B14R1.29 CC(N[C@H](C)CCO)c1ccncc1 269862a_100000706166_100000185792 [0,2,0,0,0,0|2,0,0]=4 31456 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,2,0,0,0,0|1,0,1]=4 31457 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,2,0,0,0,0|1,0,1]=4 31458 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,2,0,0,0,0|1,0,1]=4 31459 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,2,0,0,0,0|1,0,1]=4 31460 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,2,0,0,0,0|1,0,1]=4 31461 B14R1.29 CCCC(C)CC(=O)c1ccccc1 1458a_100000185807_100011216630 [0,2,0,0,0,0|1,0,1]=4 31462 B14R1.29 CCCC(C)CN(C)c1ccccc1 2230a_100000210012_100011216630 [0,2,0,0,0,0|2,0,0]=4 31463 B14R1.29 CCCC(C)CN(C)c1ccccc1 269982a_100000210012_100011216630 [0,2,0,0,0,0|2,0,0]=4 31464 B14R1.29 CCCC(C)CN(C)c1ccccc1 34a_100000210012_100011216630 [0,2,0,0,0,0|2,0,0]=4 31465 B14R1.29 CCCC(C)NC(C)c1ccccc1 2230a_100000741246_100000230085 [0,2,0,0,0,0|2,0,0]=4 31466 B14R1.29 CCCC(C)NC(C)c1ccccc1 269862a_100000741246_100000185851 [0,2,0,0,0,0|2,0,0]=4 31467 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000766640 [0,2,0,0,0,0|2,0,0]=4 31468 B14R1.29 CCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211909 [0,2,0,0,0,0|2,0,0]=4 31469 B14R1.29 CCCC(C)OC(C)c1ccccc1 34a_100000764384_100000211855 [0,2,0,0,0,0|2,0,0]=4 31470 B14R1.29 CCCC(C)OC(C)c1ccccc1 7a_100000764384_100000230085 [0,2,0,0,0,0|2,0,0]=4 31471 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000766640 [0,2,0,0,0,0|2,0,0]=4 31472 B14R1.29 CCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000766640 [0,2,0,0,0,0|2,0,0]=4 31473 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000230085_100000766640 [0,2,0,0,0,0|2,0,0]=4 31474 B14R1.29 CCCC(C)SC(C)c1ccccc1 62a_100000766640_100000230085 [0,2,0,0,0,0|2,0,0]=4 31475 B14R1.29 CCCN(C)CC(C)c1ccccc1 2230a_100000747261_100000756946 [0,2,0,0,0,0|2,0,0]=4 31476 B14R1.29 CCCN(C)CC(C)c1ccccc1 269982a_100000747261_100000756946 [0,2,0,0,0,0|2,0,0]=4 31477 B14R1.29 CCCN(C)CC(C)c1ccccc1 270004a_100000747261_100000212034 [0,2,0,0,0,0|2,0,0]=4 31478 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210303 [0,2,0,0,0,0|2,0,0]=4 31479 B14R1.29 CCCN(C)CC(O)c1ccccc1 2230a_100000747261_100000185958 [0,2,0,0,0,0|2,0,0]=4 31480 B14R1.29 CCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210303 [0,2,0,0,0,0|2,0,0]=4 31481 B14R1.29 CCCN(C)C[C@@H](O)c1ccccc1 2230a_100000747261_100011933945 [0,2,0,0,0,0|2,0,0]=4 31482 B14R1.29 CN(CC(=O)CCO)c1ccccc1 1458a_100000745425_100000211926 [0,2,0,0,0,0|1,0,1]=4 31483 B14R1.29 CN(CCF)CC(O)c1ccccc1 2230a_100000227976_100011217306 [0,2,0,0,0,0|2,0,0]=4 31484 B14R1.29 CN(CCF)CC(O)c1ccccc1 269982a_100000227976_100011217306 [0,2,0,0,0,0|2,0,0]=4 31485 B14R1.29 CN(CCO)CC(=O)c1ccccc1 269982a_100000210263_100000211460 [0,2,0,0,0,0|1,0,1]=4 31486 B14R1.29 CN(CCO)CC(O)c1ccccc1 2230a_100000210263_100000185958 [0,2,0,0,0,0|1,0,0]=3 31487 B14R1.29 CN(CCO)CC(O)c1ccccc1 2230a_100000227976_100000211926 [0,2,0,0,0,0|1,0,0]=3 31488 B14R1.29 CN(CCO)CC(O)c1ccccc1 269982a_100000227976_100000211926 [0,2,0,0,0,0|1,0,0]=3 31489 B14R1.29 CN(CCO)CS(=O)c1ccccc1 269982a_100000210263_100000031784 [0,2,0,0,0,0|2,0,0]=4 31490 B14R1.29 CN(CCO)C[C@@H](O)c1ccccc1 2230a_100000210263_100011933945 [0,2,0,0,0,0|1,0,0]=3 31491 B14R1.29 C[C@@H](NC(=O)CCO)c1ccccc1 240690a_100000751104_100011216618 [0,2,0,0,0,0|1,0,1]=4 31492 B14R1.29 C[C@H](CCO)NC(=O)c1ccccc1 240690a_100000706166_100000185807 [0,2,0,0,0,0|1,0,1]=4 31493 B14R1.29 C[C@H](CCO)NC(=O)c1ccccc1 527a_100000706166_100000185807 [0,2,0,0,0,0|1,0,1]=4 31494 B14R1.29 O=C(CCF)CC(O)c1ccccc1 1458a_100000690199_100011217306 [0,2,0,0,0,0|1,0,1]=4 31495 B14R1.29 O=C(CCO)CC(=O)c1ccccc1 1458a_100011216618_100000211460 [0,2,0,0,0,0|0,0,2]=4 31496 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100000690199_100000211926 [0,2,0,0,0,0|0,0,1]=3 31497 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100011216618_100000185958 [0,2,0,0,0,0|0,0,1]=3 31498 B14R1.29 O=C(CCO)C[C@@H](O)c1ccccc1 1458a_100011216618_100011933945 [0,2,0,0,0,0|0,0,1]=3 31499 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [0,2,0,0,0,0|1,0,1]=4 31500 B14R1.38 C#CCCCCN(C)c1ccccc1 2230a_100000210012_100010269958 [0,2,0,0,0,0|1,0,1]=4 31501 B14R1.38 C#CCCCCN(C)c1ccccc1 269982a_100000210012_100010269958 [0,2,0,0,0,0|1,0,1]=4 31502 B14R1.38 C#CCCCCN(C)c1ccccc1 34a_100000210012_100010269958 [0,2,0,0,0,0|1,0,1]=4 31503 B14R1.38 C#CCCCNC(C)c1ccccc1 34a_100000718082_100000211855 [0,2,0,0,0,0|1,0,1]=4 31504 B14R1.38 C#CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000731252 [0,2,0,0,0,0|1,0,1]=4 31505 B14R1.38 C#CCCCOC(C)c1ccccc1 34a_100000215630_100000211855 [0,2,0,0,0,0|1,0,1]=4 31506 B14R1.38 C#CCCCOC(C)c1ccccc1 7a_100000215630_100000230085 [0,2,0,0,0,0|1,0,1]=4 31507 B14R1.38 C#CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000695029 [0,2,0,0,0,0|1,0,1]=4 31508 B14R1.38 C#CCCCO[C@H](C)c1ccccc1 7a_100000761318_100011215417 [0,2,0,0,0,0|1,0,1]=4 31509 B14R1.38 C#CCCCSC(C)c1ccccc1 62a_100000230085_100011215417 [0,2,0,0,0,0|1,0,1]=4 31510 B14R1.38 C#CCCCSC(C)c1ccccc1 62a_100011215417_100000230085 [0,2,0,0,0,0|1,0,1]=4 31511 B14R1.38 C#CCCNCC(C)c1ccccc1 2230a_100000701038_100000688953 [0,2,0,0,0,0|1,0,1]=4 31512 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000701038_100000688953 [0,2,0,0,0,0|1,0,1]=4 31513 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000755551_100000756946 [0,2,0,0,0,0|1,0,1]=4 31514 B14R1.38 C#CCCNCC(O)c1ccccc1 2230a_100000210709_100000688953 [0,2,0,0,0,0|1,0,1]=4 31515 B14R1.38 C#CCCNCC(O)c1ccccc1 34a_100000755551_100000185958 [0,2,0,0,0,0|1,0,1]=4 31516 B14R1.38 C#CCCNC[C@@H](O)c1ccccc1 34a_100000755551_100011933945 [0,2,0,0,0,0|1,0,1]=4 31517 B14R1.38 C#CCCOCC(C)c1ccccc1 34a_100011215166_100000688953 [0,2,0,0,0,0|1,0,1]=4 31518 B14R1.38 C#CCCOCC(C)c1ccccc1 34a_100011215631_100000756946 [0,2,0,0,0,0|1,0,1]=4 31519 B14R1.38 C#CCCOCC(C)c1ccccc1 7a_100011215166_100000688953 [0,2,0,0,0,0|1,0,1]=4 31520 B14R1.38 C#CCCOCC(O)c1ccccc1 34a_100011215631_100000185958 [0,2,0,0,0,0|1,0,1]=4 31521 B14R1.38 C#CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000688953 [0,2,0,0,0,0|1,0,1]=4 31522 B14R1.38 C#CCCOC[C@@H](O)c1ccccc1 34a_100011215631_100011933945 [0,2,0,0,0,0|1,0,1]=4 31523 B14R1.38 C#CCCSCC(C)c1ccccc1 62a_100000688953_100000756946 [0,2,0,0,0,0|1,0,1]=4 31524 B14R1.38 C#CCCSCC(C)c1ccccc1 62a_100000756946_100000688953 [0,2,0,0,0,0|1,0,1]=4 31525 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000185958_100000688953 [0,2,0,0,0,0|1,0,1]=4 31526 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000688953_100000185958 [0,2,0,0,0,0|1,0,1]=4 31527 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100000688953_100011933945 [0,2,0,0,0,0|1,0,1]=4 31528 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000688953 [0,2,0,0,0,0|1,0,1]=4 31529 B14R1.38 C#CCNCCC(O)c1ccccc1 2230a_100000763605_100000038162 [0,2,0,0,0,0|1,0,1]=4 31530 B14R1.38 C#CCNCC[C@@H](O)c1ccccc1 34a_100000212058_100000729684 [0,2,0,0,0,0|1,0,1]=4 31531 B14R1.38 C#CCOCC[C@@H](O)c1ccccc1 34a_100000210247_100000729684 [0,2,0,0,0,0|1,0,1]=4 31532 B14R1.38 C#CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000184674 [0,2,0,0,0,0|1,0,1]=4 31533 B14R1.38 C#CCSCC[C@@H](O)c1ccccc1 62a_100000038162_100000729684 [0,2,0,0,0,0|1,0,1]=4 31534 B14R1.38 C=CCCCCC(=O)c1ccccc1 1458a_100000185807_100011215482 [0,2,0,0,0,0|1,0,1]=4 31535 B14R1.38 C=CCCCCN(C)c1ccccc1 2230a_100000210012_100011215482 [0,2,0,0,0,0|1,0,1]=4 31536 B14R1.38 C=CCCCCN(C)c1ccccc1 269982a_100000210012_100011215482 [0,2,0,0,0,0|1,0,1]=4 31537 B14R1.38 C=CCCCCN(C)c1ccccc1 34a_100000210012_100011215482 [0,2,0,0,0,0|1,0,1]=4 31538 B14R1.38 C=CCCCNC(C)c1ccccc1 2230a_100000700776_100000230085 [0,2,0,0,0,0|1,0,1]=4 31539 B14R1.38 C=CCCCNC(C)c1ccccc1 269862a_100000700776_100000185851 [0,2,0,0,0,0|1,0,1]=4 31540 B14R1.38 C=CCCCNC(C)c1ccccc1 34a_100000700776_100000211855 [0,2,0,0,0,0|1,0,1]=4 31541 B14R1.38 C=CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100011713584 [0,2,0,0,0,0|1,0,1]=4 31542 B14R1.38 C=CCCCOC(C)c1ccccc1 34a_100000758997_100000211855 [0,2,0,0,0,0|1,0,1]=4 31543 B14R1.38 C=CCCCOC(C)c1ccccc1 7a_100000758997_100000230085 [0,2,0,0,0,0|1,0,1]=4 31544 B14R1.38 C=CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000757094 [0,2,0,0,0,0|1,0,1]=4 31545 B14R1.38 C=CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000757094 [0,2,0,0,0,0|1,0,1]=4 31546 B14R1.38 C=CCCCSC(C)c1ccccc1 62a_100000230085_100000757094 [0,2,0,0,0,0|1,0,1]=4 31547 B14R1.38 C=CCCCSC(C)c1ccccc1 62a_100011713584_100000230085 [0,2,0,0,0,0|1,0,1]=4 31548 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100000701038_100000754431 [0,2,0,0,0,0|1,0,1]=4 31549 B14R1.38 C=CCCNCC(C)c1ccccc1 2230a_100015191253_100000756946 [0,2,0,0,0,0|1,0,1]=4 31550 B14R1.38 C=CCCNCC(C)c1ccccc1 270004a_100015191253_100000212034 [0,2,0,0,0,0|1,0,1]=4 31551 B14R1.38 C=CCCNCC(C)c1ccccc1 34a_100000701038_100000754431 [0,2,0,0,0,0|1,0,1]=4 31552 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100000210709_100000754431 [0,2,0,0,0,0|1,0,1]=4 31553 B14R1.38 C=CCCNCC(O)c1ccccc1 2230a_100015191253_100000185958 [0,2,0,0,0,0|1,0,1]=4 31554 B14R1.38 C=CCCNC[C@@H](O)c1ccccc1 2230a_100015191253_100011933945 [0,2,0,0,0,0|1,0,1]=4 31555 B14R1.38 C=CCCOCC(C)c1ccccc1 34a_100011205117_100000756946 [0,2,0,0,0,0|1,0,1]=4 31556 B14R1.38 C=CCCOCC(C)c1ccccc1 34a_100011215166_100000754431 [0,2,0,0,0,0|1,0,1]=4 31557 B14R1.38 C=CCCOCC(C)c1ccccc1 7a_100011215166_100000754431 [0,2,0,0,0,0|1,0,1]=4 31558 B14R1.38 C=CCCOCC(O)c1ccccc1 34a_100011205117_100000185958 [0,2,0,0,0,0|1,0,1]=4 31559 B14R1.38 C=CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000754431 [0,2,0,0,0,0|1,0,1]=4 31560 B14R1.38 C=CCCOC[C@@H](O)c1ccccc1 34a_100011205117_100011933945 [0,2,0,0,0,0|1,0,1]=4 31561 B14R1.38 C=CCCSCC(C)c1ccccc1 62a_100000754431_100000756946 [0,2,0,0,0,0|1,0,1]=4 31562 B14R1.38 C=CCCSCC(C)c1ccccc1 62a_100000756946_100000754431 [0,2,0,0,0,0|1,0,1]=4 31563 B14R1.38 C=CCCSCC(O)c1ccccc1 62a_100000185958_100000754431 [0,2,0,0,0,0|1,0,1]=4 31564 B14R1.38 C=CCCSCC(O)c1ccccc1 62a_100000754431_100000185958 [0,2,0,0,0,0|1,0,1]=4 31565 B14R1.38 C=CCCSC[C@@H](O)c1ccccc1 62a_100000754431_100011933945 [0,2,0,0,0,0|1,0,1]=4 31566 B14R1.38 C=CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000754431 [0,2,0,0,0,0|1,0,1]=4 31567 B14R1.38 C=CCNCCC(C)c1ccccc1 270004a_100020586998_100000189432 [0,2,0,0,0,0|1,0,1]=4 31568 B14R1.38 C=CCNCCC(O)c1ccccc1 2230a_100000763605_100000210623 [0,2,0,0,0,0|1,0,1]=4 31569 B14R1.38 C=CCNCC[C@@H](O)c1ccccc1 2230a_100020586998_100000729684 [0,2,0,0,0,0|1,0,1]=4 31570 B14R1.38 C=CCOCC[C@@H](O)c1ccccc1 34a_200000210373_100000729684 [0,2,0,0,0,0|1,0,1]=4 31571 B14R1.38 C=CCOCC[C@H](N)c1ccccc1 34a_100025705951_100015514636 [0,2,0,0,0,0|1,0,1]=4 31572 B14R1.38 C=CCSCC[C@@H](O)c1ccccc1 62a_100000210623_100000729684 [0,2,0,0,0,0|1,0,1]=4 31573 B14R1.38 C=CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210623 [0,2,0,0,0,0|1,0,1]=4 31574 B14R1.38 CC(C=NNCCO)c1ccccc1 4a_100000210001_100000212034 [0,2,0,0,0,0|1,0,1]=4 31575 B14R1.38 CC(CCNCCO)c1ccccc1 270004a_100000210304_100000189432 [0,2,0,0,0,0|0,0,0]=2 31576 B14R1.38 CC(CNCCC#N)c1ccccc1 2230a_100000701038_100011215226 [0,2,0,0,0,0|1,0,1]=4 31577 B14R1.38 CC(CNCCC#N)c1ccccc1 270004a_100000720768_100000212034 [0,2,0,0,0,0|1,0,1]=4 31578 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100000701038_100011934791 [0,2,0,0,0,0|1,0,0]=3 31579 B14R1.38 CC(CNCCCF)c1ccccc1 2230a_100015189416_100000756946 [0,2,0,0,0,0|1,0,0]=3 31580 B14R1.38 CC(CNCCCF)c1ccccc1 270004a_100015189416_100000212034 [0,2,0,0,0,0|1,0,0]=3 31581 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100000701038_100011934791 [0,2,0,0,0,0|1,0,0]=3 31582 B14R1.38 CC(CNCCCF)c1ccccc1 34a_100015189416_100000756946 [0,2,0,0,0,0|1,0,0]=3 31583 B14R1.38 CC(CNCCCO)c1ccccc1 2230a_100000701038_100000230001 [0,2,0,0,0,0|0,0,0]=2 31584 B14R1.38 CC(CNCCCO)c1ccccc1 270004a_100000182051_100000212034 [0,2,0,0,0,0|0,0,0]=2 31585 B14R1.38 CC(CNCCCO)c1ccccc1 34a_100000701038_100000230001 [0,2,0,0,0,0|0,0,0]=2 31586 B14R1.38 CC(COCCC#N)c1ccccc1 7a_100011215166_100000184422 [0,2,0,0,0,0|1,0,1]=4 31587 B14R1.38 CC(COCCCBr)c1ccccc1 34a_100011217188_100000756946 [0,2,0,0,0,0|1,0,0]=3 31588 B14R1.38 CC(COCCCCl)c1ccccc1 34a_100000230001_100000756946 [0,2,0,0,0,0|1,0,0]=3 31589 B14R1.38 CC(COCCCF)c1ccccc1 34a_100000759539_100000756946 [0,2,0,0,0,0|1,0,0]=3 31590 B14R1.38 CC(COCCCF)c1ccccc1 34a_100011215166_100011934791 [0,2,0,0,0,0|1,0,0]=3 31591 B14R1.38 CC(COCCCF)c1ccccc1 7a_100011215166_100011934791 [0,2,0,0,0,0|1,0,0]=3 31592 B14R1.38 CC(COCCCN)c1ccccc1 34a_100000182051_100000756946 [0,2,0,0,0,0|1,0,0]=3 31593 B14R1.38 CC(COCCCO)c1ccccc1 34a_100011215166_100000230001 [0,2,0,0,0,0|0,0,0]=2 31594 B14R1.38 CC(COCCCO)c1ccccc1 7a_100011215166_100011215043 [0,2,0,0,0,0|0,0,0]=2 31595 B14R1.38 CC(COCCON)c1ccccc1 34a_100000700252_100000756946 [0,2,0,0,0,0|1,0,0]=3 31596 B14R1.38 CC(CSCCC#N)c1ccccc1 62a_100000756946_100011215226 [0,2,0,0,0,0|1,0,1]=4 31597 B14R1.38 CC(CSCCC#N)c1ccccc1 62a_100011215226_100000756946 [0,2,0,0,0,0|1,0,1]=4 31598 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100000756946_100011934791 [0,2,0,0,0,0|1,0,0]=3 31599 B14R1.38 CC(CSCCCF)c1ccccc1 62a_100011934791_100000756946 [0,2,0,0,0,0|1,0,0]=3 31600 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100000756946_100011215043 [0,2,0,0,0,0|0,0,0]=2 31601 B14R1.38 CC(CSCCCO)c1ccccc1 62a_100011215043_100000756946 [0,2,0,0,0,0|0,0,0]=2 31602 B14R1.38 CC(NCCCCF)c1ccccn1 2230a_100000181244_100000729493 [0,2,0,0,0,0|2,0,0]=4 31603 B14R1.38 CC(NCCCCF)c1cccnc1 2230a_100000195435_100000729493 [0,2,0,0,0,0|2,0,0]=4 31604 B14R1.38 CC(NCCCCF)c1ccncc1 2230a_100000181269_100000729493 [0,2,0,0,0,0|2,0,0]=4 31605 B14R1.38 CC(NCCCCO)c1ccccc1 2230a_100000750430_100000230085 [0,2,0,0,0,0|0,0,0]=2 31606 B14R1.38 CC(NCCCCO)c1ccccc1 269862a_100000750430_100000185851 [0,2,0,0,0,0|0,0,0]=2 31607 B14R1.38 CC(NCCCCO)c1ccccc1 34a_100000750430_100000211855 [0,2,0,0,0,0|0,0,0]=2 31608 B14R1.38 CC(NCCCCO)c1ccccn1 2230a_100000181244_100000210776 [0,2,0,0,0,0|1,0,0]=3 31609 B14R1.38 CC(NCCCCO)c1ccccn1 269862a_100000750430_100000210467 [0,2,0,0,0,0|1,0,0]=3 31610 B14R1.38 CC(NCCCCO)c1cccnc1 2230a_100000195435_100000210776 [0,2,0,0,0,0|1,0,0]=3 31611 B14R1.38 CC(NCCCCO)c1cccnc1 269862a_100000750430_100000210468 [0,2,0,0,0,0|1,0,0]=3 31612 B14R1.38 CC(NCCCCO)c1cccnn1 269862a_100000750430_100009866853 [0,2,0,0,0,0|2,0,0]=4 31613 B14R1.38 CC(NCCCCO)c1ccncc1 2230a_100000181269_100000210776 [0,2,0,0,0,0|1,0,0]=3 31614 B14R1.38 CC(NCCCCO)c1ccncc1 269862a_100000750430_100000185792 [0,2,0,0,0,0|1,0,0]=3 31615 B14R1.38 CC(NCCCCO)c1ccnnc1 269862a_100000750430_100012182992 [0,2,0,0,0,0|2,0,0]=4 31616 B14R1.38 CC(NCCCCO)c1cnccn1 2230a_100000750430_200000703233 [0,2,0,0,0,0|2,0,0]=4 31617 B14R1.38 CC(NCCCCO)c1cnccn1 269862a_100000750430_100000751083 [0,2,0,0,0,0|2,0,0]=4 31618 B14R1.38 CC(NCCCCO)c1cncnc1 269862a_100000750430_100000757475 [0,2,0,0,0,0|2,0,0]=4 31619 B14R1.38 CC(NCCCCO)c1ncccn1 2230a_100020641698_100000210776 [0,2,0,0,0,0|2,0,0]=4 31620 B14R1.38 CC(NCCCCO)c1ncccn1 270004a_100000750430_100011350828 [0,2,0,0,0,0|2,0,0]=4 31621 B14R1.38 CC(OCCCCBr)c1ccccc1 34a_100011216708_100000211855 [0,2,0,0,0,0|1,0,0]=3 31622 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [0,2,0,0,0,0|1,0,0]=3 31623 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [0,2,0,0,0,0|1,0,0]=3 31624 B14R1.38 CC(OCCCCF)c1ccccc1 34a_100011995726_100000211855 [0,2,0,0,0,0|1,0,0]=3 31625 B14R1.38 CC(OCCCCF)c1ccccc1 7a_100011995726_100000230085 [0,2,0,0,0,0|1,0,0]=3 31626 B14R1.38 CC(OCCCCI)c1ccccc1 34a_200012148704_100000211855 [0,2,0,0,0,0|1,0,0]=3 31627 B14R1.38 CC(OCCCCN)c1ccccc1 34a_100000750430_100000211855 [0,2,0,0,0,0|1,0,0]=3 31628 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 2230a_100000206020_200025704644 [0,2,0,0,0,0|2,0,0]=4 31629 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 34a_100000206020_200025704644 [0,2,0,0,0,0|2,0,0]=4 31630 B14R1.38 CC(SCC#CCO)c1ccccc1 62a_100000230085_200000047223 [0,2,0,0,0,0|0,0,2]=4 31631 B14R1.38 CC(SCC#CCO)c1ccccc1 62a_200000047223_100000230085 [0,2,0,0,0,0|0,0,2]=4 31632 B14R1.38 CC(SCCCC#N)c1ccccc1 62a_100000230085_100000687738 [0,2,0,0,0,0|1,0,1]=4 31633 B14R1.38 CC(SCCCC#N)c1ccccc1 62a_100000687738_100000230085 [0,2,0,0,0,0|1,0,1]=4 31634 B14R1.38 CC(SCCCC=O)c1ccccc1 62a_100000230085_200011292268 [0,2,0,0,0,0|0,0,2]=4 31635 B14R1.38 CC(SCCCC=O)c1ccccc1 62a_200011292268_100000230085 [0,2,0,0,0,0|0,0,2]=4 31636 B14R1.38 CC(SCCCCF)c1ccccc1 62a_100000230085_100000729493 [0,2,0,0,0,0|1,0,0]=3 31637 B14R1.38 CC(SCCCCF)c1ccccc1 62a_100000729493_100000230085 [0,2,0,0,0,0|1,0,0]=3 31638 B14R1.38 CC(SCCCCO)c1ccccc1 62a_100000210776_100000230085 [0,2,0,0,0,0|0,0,0]=2 31639 B14R1.38 CC(SCCCCO)c1ccccc1 62a_100000230085_100000210776 [0,2,0,0,0,0|0,0,0]=2 31640 B14R1.38 CC(SCCCCO)c1cnccn1 62a_100000210776_200000703233 [0,2,0,0,0,0|2,0,0]=4 31641 B14R1.38 CC(SCCCCO)c1cnccn1 62a_200000703233_100000210776 [0,2,0,0,0,0|2,0,0]=4 31642 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,2,0,0,0,0|1,0,0]=3 31643 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_100000210012_100000210314 [0,2,0,0,0,0|1,0,0]=3 31644 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_200000219565_200000210301 [0,2,0,0,0,0|1,0,0]=3 31645 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_100000210012_100000210757 [0,2,0,0,0,0|1,0,0]=3 31646 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_200000219565_200000210301 [0,2,0,0,0,0|1,0,0]=3 31647 B14R1.38 CCCCCCN(C)c1ccccc1 34a_100000210012_100000210314 [0,2,0,0,0,0|1,0,0]=3 31648 B14R1.38 CCCCCCN(C)c1ccccc1 34a_200000219565_200000210301 [0,2,0,0,0,0|1,0,0]=3 31649 B14R1.38 CCCCCCN(C)c1ccccc1 7a_200000219565_200000210301 [0,2,0,0,0,0|1,0,0]=3 31650 B14R1.38 CCCCCCN([13CH3])c1ccccc1 2230a_200000219565_200025704644 [0,2,0,0,0,0|1,0,0]=3 31651 B14R1.38 CCCCCCN([13CH3])c1ccccc1 269982a_200000219565_200025704644 [0,2,0,0,0,0|1,0,0]=3 31652 B14R1.38 CCCCCCN([13CH3])c1ccccc1 34a_200000219565_200025704644 [0,2,0,0,0,0|1,0,0]=3 31653 B14R1.38 CCCCCCN([13CH3])c1ccccc1 7a_200000219565_200025704644 [0,2,0,0,0,0|1,0,0]=3 31654 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [0,2,0,0,0,0|1,0,1]=4 31655 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [0,2,0,0,0,0|1,0,1]=4 31656 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [0,2,0,0,0,0|1,0,1]=4 31657 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [0,2,0,0,0,0|1,0,1]=4 31658 B14R1.38 CCCCCNC(C)c1ccccc1 2230a_100000209983_100000230085 [0,2,0,0,0,0|1,0,0]=3 31659 B14R1.38 CCCCCNC(C)c1ccccc1 269862a_100000209983_100000185851 [0,2,0,0,0,0|1,0,0]=3 31660 B14R1.38 CCCCCNC(C)c1ccccn1 2230a_100000181244_100000210326 [0,2,0,0,0,0|2,0,0]=4 31661 B14R1.38 CCCCCNC(C)c1ccccn1 269862a_100000209983_100000210467 [0,2,0,0,0,0|2,0,0]=4 31662 B14R1.38 CCCCCNC(C)c1cccnc1 2230a_100000195435_100000210326 [0,2,0,0,0,0|2,0,0]=4 31663 B14R1.38 CCCCCNC(C)c1cccnc1 269862a_100000209983_100000210468 [0,2,0,0,0,0|2,0,0]=4 31664 B14R1.38 CCCCCNC(C)c1ccncc1 2230a_100000181269_100000210326 [0,2,0,0,0,0|2,0,0]=4 31665 B14R1.38 CCCCCNC(C)c1ccncc1 269862a_100000209983_100000185792 [0,2,0,0,0,0|2,0,0]=4 31666 B14R1.38 CCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210326 [0,2,0,0,0,0|1,0,0]=3 31667 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [0,2,0,0,0,0|1,0,0]=3 31668 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [0,2,0,0,0,0|1,0,0]=3 31669 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [0,2,0,0,0,0|1,0,0]=3 31670 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [0,2,0,0,0,0|1,0,0]=3 31671 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000210326_100000230085 [0,2,0,0,0,0|1,0,0]=3 31672 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000230085_100000210326 [0,2,0,0,0,0|1,0,0]=3 31673 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [0,2,0,0,0,0|1,0,1]=4 31674 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [0,2,0,0,0,0|1,0,0]=3 31675 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [0,2,0,0,0,0|1,0,0]=3 31676 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [0,2,0,0,0,0|1,0,0]=3 31677 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [0,2,0,0,0,0|1,0,0]=3 31678 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [0,2,0,0,0,0|1,0,0]=3 31679 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [0,2,0,0,0,0|1,0,0]=3 31680 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [0,2,0,0,0,0|1,0,0]=3 31681 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [0,2,0,0,0,0|1,0,0]=3 31682 B14R1.38 CCCCNCC(O)c1ccccn1 2230a_100000691469_100000210211 [0,2,0,0,0,0|2,0,0]=4 31683 B14R1.38 CCCCNCC(O)c1cccnc1 2230a_100020605170_100000210211 [0,2,0,0,0,0|2,0,0]=4 31684 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [0,2,0,0,0,0|1,0,0]=3 31685 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [0,2,0,0,0,0|1,0,0]=3 31686 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,2,0,0,0,0|1,0,1]=4 31687 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,2,0,0,0,0|1,0,1]=4 31688 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [0,2,0,0,0,0|1,0,0]=3 31689 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [0,2,0,0,0,0|1,0,0]=3 31690 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [0,2,0,0,0,0|1,0,0]=3 31691 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [0,2,0,0,0,0|1,0,0]=3 31692 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [0,2,0,0,0,0|1,0,0]=3 31693 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [0,2,0,0,0,0|1,0,0]=3 31694 B14R1.38 CCCCOCN(C)c1ccccc1 2230a_100000210012_100011995733 [0,2,0,0,0,0|2,0,0]=4 31695 B14R1.38 CCCCOCN(C)c1ccccc1 269982a_100000210012_100011995733 [0,2,0,0,0,0|2,0,0]=4 31696 B14R1.38 CCCCOCN(C)c1ccccc1 34a_100000210012_100011995733 [0,2,0,0,0,0|2,0,0]=4 31697 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [0,2,0,0,0,0|1,0,0]=3 31698 B14R1.38 CCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210210 [0,2,0,0,0,0|2,0,0]=4 31699 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [0,2,0,0,0,0|1,0,0]=3 31700 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [0,2,0,0,0,0|1,0,0]=3 31701 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [0,2,0,0,0,0|1,0,1]=4 31702 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [0,2,0,0,0,0|1,0,1]=4 31703 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000210211_100000756946 [0,2,0,0,0,0|1,0,0]=3 31704 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000756946_100000210210 [0,2,0,0,0,0|1,0,0]=3 31705 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000185958_100000210210 [0,2,0,0,0,0|1,0,0]=3 31706 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000210211_100000185958 [0,2,0,0,0,0|1,0,0]=3 31707 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [0,2,0,0,0,0|2,0,0]=4 31708 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100000210211_100011933945 [0,2,0,0,0,0|1,0,0]=3 31709 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210210 [0,2,0,0,0,0|1,0,0]=3 31710 B14R1.38 CCCNCCC(C)c1ccccc1 270004a_100020643023_100000189432 [0,2,0,0,0,0|1,0,0]=3 31711 B14R1.38 CCCNCCC(O)c1ccccc1 2230a_100000763605_100000210303 [0,2,0,0,0,0|1,0,0]=3 31712 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [0,2,0,0,0,0|1,0,1]=4 31713 B14R1.38 CCCOCCN(C)c1ccccc1 2230a_100000210012_100011215938 [0,2,0,0,0,0|2,0,0]=4 31714 B14R1.38 CCCOCCN(C)c1ccccc1 269982a_100000210012_100011215938 [0,2,0,0,0,0|2,0,0]=4 31715 B14R1.38 CCCOCCN(C)c1ccccc1 34a_100000210012_100011215938 [0,2,0,0,0,0|2,0,0]=4 31716 B14R1.38 CCCOCC[C@@H](O)c1ccccc1 34a_100000210258_100000729684 [0,2,0,0,0,0|1,0,0]=3 31717 B14R1.38 CCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210303 [0,2,0,0,0,0|1,0,0]=3 31718 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [0,2,0,0,0,0|1,0,1]=4 31719 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [0,2,0,0,0,0|1,0,1]=4 31720 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [0,2,0,0,0,0|2,0,0]=4 31721 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000210303_100000729684 [0,2,0,0,0,0|1,0,0]=3 31722 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210303 [0,2,0,0,0,0|1,0,0]=3 31723 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [0,2,0,0,0,0|1,0,1]=4 31724 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [0,2,0,0,0,0|1,0,1]=4 31725 B14R1.38 CCOCCCC(N)c1ccccc1 34a_100000759318_100000210202 [0,2,0,0,0,0|1,0,0]=3 31726 B14R1.38 CCOCCCN(C)c1ccccc1 2230a_100000210012_100012232248 [0,2,0,0,0,0|2,0,0]=4 31727 B14R1.38 CCOCCCN(C)c1ccccc1 269982a_100000210012_100012232248 [0,2,0,0,0,0|2,0,0]=4 31728 B14R1.38 CCOCCCN(C)c1ccccc1 34a_100000210012_100012232248 [0,2,0,0,0,0|2,0,0]=4 31729 B14R1.38 CCOCCNC(C)c1ccccc1 2230a_102516460346_100000230085 [0,2,0,0,0,0|2,0,0]=4 31730 B14R1.38 CCOCCNC(C)c1ccccc1 269862a_100011200944_100000185851 [0,2,0,0,0,0|2,0,0]=4 31731 B14R1.38 CCOCCNC(C)c1ccccc1 34a_102516460346_100000211855 [0,2,0,0,0,0|2,0,0]=4 31732 B14R1.38 CCOCCN[C@H](C)c1ccccc1 2230a_100000751104_100011215890 [0,2,0,0,0,0|2,0,0]=4 31733 B14R1.38 CCOCCOC(C)c1ccccc1 34a_100000210136_100000211855 [0,2,0,0,0,0|2,0,0]=4 31734 B14R1.38 CCOCCOC(C)c1ccccc1 7a_100000210136_100000230085 [0,2,0,0,0,0|2,0,0]=4 31735 B14R1.38 CCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000210147 [0,2,0,0,0,0|2,0,0]=4 31736 B14R1.38 CCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215890 [0,2,0,0,0,0|2,0,0]=4 31737 B14R1.38 CCOCCSC(C)c1ccccc1 62a_100000210147_100000230085 [0,2,0,0,0,0|2,0,0]=4 31738 B14R1.38 CCOCCSC(C)c1ccccc1 62a_100000230085_100011215890 [0,2,0,0,0,0|2,0,0]=4 31739 B14R1.38 CCOCSCC(C)c1ccccc1 62a_100000739092_100000756946 [0,2,0,0,0,0|2,0,0]=4 31740 B14R1.38 CCOCSCC(C)c1ccccc1 62a_100000756946_100000739092 [0,2,0,0,0,0|2,0,0]=4 31741 B14R1.38 CCOCSCC(O)c1ccccc1 62a_100000185958_100000739092 [0,2,0,0,0,0|2,0,0]=4 31742 B14R1.38 CCOCSCC(O)c1ccccc1 62a_100000739092_100000185958 [0,2,0,0,0,0|2,0,0]=4 31743 B14R1.38 CCOCSC[C@@H](O)c1ccccc1 62a_100000739092_100011933945 [0,2,0,0,0,0|2,0,0]=4 31744 B14R1.38 CCOCSC[C@@H](O)c1ccccc1 62a_100011933945_100000739092 [0,2,0,0,0,0|2,0,0]=4 31745 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [0,2,0,0,0,0|1,0,1]=4 31746 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [0,2,0,0,0,0|1,0,1]=4 31747 B14R1.38 CCSCCNC(C)c1ccccc1 2230a_100000106463_100000230085 [0,2,0,0,0,0|2,0,0]=4 31748 B14R1.38 CCSCCNC(C)c1ccccc1 269862a_100000106463_100000185851 [0,2,0,0,0,0|2,0,0]=4 31749 B14R1.38 CCSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000757381 [0,2,0,0,0,0|2,0,0]=4 31750 B14R1.38 CCSCCOC(C)c1ccccc1 34a_100000212035_100000211855 [0,2,0,0,0,0|2,0,0]=4 31751 B14R1.38 CCSCCOC(C)c1ccccc1 7a_100000212035_100000230085 [0,2,0,0,0,0|2,0,0]=4 31752 B14R1.38 CCSCCO[C@H](C)c1ccccc1 34a_100000761318_100000757381 [0,2,0,0,0,0|2,0,0]=4 31753 B14R1.38 CCSCCO[C@H](C)c1ccccc1 7a_100000761318_100000757381 [0,2,0,0,0,0|2,0,0]=4 31754 B14R1.38 CCSCCSC(C)c1ccccc1 62a_100000230085_100000757381 [0,2,0,0,0,0|2,0,0]=4 31755 B14R1.38 CCSCCSC(C)c1ccccc1 62a_100000757381_100000230085 [0,2,0,0,0,0|2,0,0]=4 31756 B14R1.38 CN(CCCCC#N)c1ccccc1 2230a_100000210012_100000211819 [0,2,0,0,0,0|1,0,1]=4 31757 B14R1.38 CN(CCCCC#N)c1ccccc1 269982a_100000210012_100011219923 [0,2,0,0,0,0|1,0,1]=4 31758 B14R1.38 CN(CCCCC=O)c1ccccc1 2230a_100000210012_100000139335 [0,2,0,0,0,0|0,0,2]=4 31759 B14R1.38 CN(CCCCC=O)c1ccccc1 269982a_100000210012_100000139335 [0,2,0,0,0,0|0,0,2]=4 31760 B14R1.38 CN(CCCCCF)c1ccccc1 2230a_100000210012_100000729378 [0,2,0,0,0,0|1,0,0]=3 31761 B14R1.38 CN(CCCCCF)c1ccccc1 269982a_100000210012_100000729378 [0,2,0,0,0,0|1,0,0]=3 31762 B14R1.38 CN(CCCCCF)c1ccccc1 34a_100000210012_100000729378 [0,2,0,0,0,0|1,0,0]=3 31763 B14R1.38 CN(CCCCCO)c1ccccc1 2230a_100000210012_100000746330 [0,2,0,0,0,0|0,0,0]=2 31764 B14R1.38 CN(CCCCCO)c1ccccc1 269982a_100000210012_100000746330 [0,2,0,0,0,0|0,0,0]=2 31765 B14R1.38 CN(CCCCCO)c1ccccc1 34a_100000210012_100000746330 [0,2,0,0,0,0|0,0,0]=2 31766 B14R1.38 CN(CCCCCO)c1cccnn1 27a_100000722520_100016991348 [0,2,0,0,0,0|2,0,0]=4 31767 B14R1.38 CN(CCCCCO)c1ccncn1 27a_100000722520_100000703185 [0,2,0,0,0,0|2,0,0]=4 31768 B14R1.38 CN(CCCCCO)c1cnccn1 27a_100000722520_100000211759 [0,2,0,0,0,0|2,0,0]=4 31769 B14R1.38 CN(CCCCCO)c1ncccn1 27a_100000722520_100000211032 [0,2,0,0,0,0|2,0,0]=4 31770 B14R1.38 CN(CCCCO[13CH3])c1ccccc1 7a_100011305536_200025704644 [0,2,0,0,0,0|1,0,0]=3 31771 B14R1.38 CN(CCOCCO)c1ccccc1 2230a_100000210012_100011215305 [0,2,0,0,0,0|1,0,0]=3 31772 B14R1.38 CN(CCOCCO)c1ccccc1 269982a_100000210012_100011215305 [0,2,0,0,0,0|1,0,0]=3 31773 B14R1.38 CN(CCOCCO)c1ccccc1 34a_100000210012_100000692535 [0,2,0,0,0,0|1,0,0]=3 31774 B14R1.38 CNCCCOC(C)c1ccccc1 2230a_100000206020_200000210301 [0,2,0,0,0,0|2,0,0]=4 31775 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000206020_200000210301 [0,2,0,0,0,0|2,0,0]=4 31776 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000213112_100000211855 [0,2,0,0,0,0|2,0,0]=4 31777 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [0,2,0,0,0,0|0,0,1]=3 31778 B14R1.38 COCCCCN(C)c1ccccc1 2230a_100000210012_100000730899 [0,2,0,0,0,0|1,0,0]=3 31779 B14R1.38 COCCCCN(C)c1ccccc1 269982a_100000210012_100000730899 [0,2,0,0,0,0|1,0,0]=3 31780 B14R1.38 COCCCCN(C)c1ccccc1 34a_100000210012_100000755781 [0,2,0,0,0,0|1,0,0]=3 31781 B14R1.38 COCCCCN(C)c1ccccc1 7a_100011305536_200000210301 [0,2,0,0,0,0|1,0,0]=3 31782 B14R1.38 COCCCNC(=O)c1ccccc1 1626a_100150723488_100000185807 [0,2,0,0,0,0|1,0,1]=4 31783 B14R1.38 COCCCNC(=O)c1ccccc1 240690a_100150723488_100000185807 [0,2,0,0,0,0|1,0,1]=4 31784 B14R1.38 COCCCNC(=O)c1ccccc1 527a_100150723488_100000185807 [0,2,0,0,0,0|1,0,1]=4 31785 B14R1.38 COCCCNC(C)c1ccccc1 269862a_100150723488_100000185851 [0,2,0,0,0,0|1,0,0]=3 31786 B14R1.38 COCCCNC(C)c1ccccc1 34a_100150723488_100000211855 [0,2,0,0,0,0|1,0,0]=3 31787 B14R1.38 COCCCNC(C)c1ccccn1 2230a_100000181244_100000740836 [0,2,0,0,0,0|2,0,0]=4 31788 B14R1.38 COCCCNC(C)c1ccccn1 269862a_100150723488_100000210467 [0,2,0,0,0,0|2,0,0]=4 31789 B14R1.38 COCCCNC(C)c1cccnc1 2230a_100000195435_100000740836 [0,2,0,0,0,0|2,0,0]=4 31790 B14R1.38 COCCCNC(C)c1cccnc1 269862a_100150723488_100000210468 [0,2,0,0,0,0|2,0,0]=4 31791 B14R1.38 COCCCNC(C)c1ccncc1 2230a_100000181269_100000740836 [0,2,0,0,0,0|2,0,0]=4 31792 B14R1.38 COCCCNC(C)c1ccncc1 269862a_100150723488_100000185792 [0,2,0,0,0,0|2,0,0]=4 31793 B14R1.38 COCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000740836 [0,2,0,0,0,0|1,0,0]=3 31794 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [0,2,0,0,0,0|1,0,1]=4 31795 B14R1.38 COCCCOC(C)c1ccccc1 34a_100000740835_100000211855 [0,2,0,0,0,0|1,0,0]=3 31796 B14R1.38 COCCCO[C@H](C)c1ccccc1 34a_100000761318_100000740836 [0,2,0,0,0,0|1,0,0]=3 31797 B14R1.38 COCCCO[C@H](C)c1ccccc1 7a_100000761318_100000740836 [0,2,0,0,0,0|1,0,0]=3 31798 B14R1.38 COCCCSC(C)c1ccccc1 62a_100000230085_100000709357 [0,2,0,0,0,0|1,0,0]=3 31799 B14R1.38 COCCCSC(C)c1ccccc1 62a_100000709357_100000230085 [0,2,0,0,0,0|1,0,0]=3 31800 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000209980_100000756946 [0,2,0,0,0,0|1,0,0]=3 31801 B14R1.38 COCCNCC(C)c1ccccc1 2230a_100000701038_100011201679 [0,2,0,0,0,0|1,0,0]=3 31802 B14R1.38 COCCNCC(C)c1ccccc1 270004a_100000209980_100000212034 [0,2,0,0,0,0|1,0,0]=3 31803 B14R1.38 COCCNCC(C)c1ccccc1 34a_100000701038_100011201679 [0,2,0,0,0,0|1,0,0]=3 31804 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000209980_100000185958 [0,2,0,0,0,0|1,0,0]=3 31805 B14R1.38 COCCNCC(O)c1ccccc1 2230a_100000210709_100011201679 [0,2,0,0,0,0|1,0,0]=3 31806 B14R1.38 COCCNCC(O)c1ccccn1 2230a_100000691469_100011201679 [0,2,0,0,0,0|2,0,0]=4 31807 B14R1.38 COCCNCC(O)c1cccnc1 2230a_100020605170_100011201679 [0,2,0,0,0,0|2,0,0]=4 31808 B14R1.38 COCCNC[C@@H](O)c1ccccc1 2230a_100000209980_100011933945 [0,2,0,0,0,0|1,0,0]=3 31809 B14R1.38 COCCOCC(C)c1ccccc1 34a_100000210237_100000756946 [0,2,0,0,0,0|1,0,0]=3 31810 B14R1.38 COCCOCC(C)c1ccccc1 34a_100011215166_100011201679 [0,2,0,0,0,0|1,0,0]=3 31811 B14R1.38 COCCOCC(C)c1ccccc1 7a_100011215166_100000233755 [0,2,0,0,0,0|1,0,0]=3 31812 B14R1.38 COCCOCC(O)c1ccccc1 34a_100000210237_100000185958 [0,2,0,0,0,0|1,0,0]=3 31813 B14R1.38 COCCOCN(C)c1ccccc1 2230a_100000210012_100000231047 [0,2,0,0,0,0|2,0,0]=4 31814 B14R1.38 COCCOCN(C)c1ccccc1 269982a_100000210012_100000231047 [0,2,0,0,0,0|2,0,0]=4 31815 B14R1.38 COCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011201679 [0,2,0,0,0,0|1,0,0]=3 31816 B14R1.38 COCCOC[C@@H](N)c1ccncc1 34a_100138412524_100011201679 [0,2,0,0,0,0|2,0,0]=4 31817 B14R1.38 COCCOC[C@@H](O)c1ccccc1 34a_100000210237_100011933945 [0,2,0,0,0,0|1,0,0]=3 31818 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [0,2,0,0,0,0|1,0,1]=4 31819 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [0,2,0,0,0,0|1,0,1]=4 31820 B14R1.38 COCCSCC(C)c1ccccc1 62a_100000233755_100000756946 [0,2,0,0,0,0|1,0,0]=3 31821 B14R1.38 COCCSCC(C)c1ccccc1 62a_100000756946_100000233755 [0,2,0,0,0,0|1,0,0]=3 31822 B14R1.38 COCCSCC(O)c1ccccc1 62a_100000185958_100000233755 [0,2,0,0,0,0|1,0,0]=3 31823 B14R1.38 COCCSCC(O)c1ccccc1 62a_100000233755_100000185958 [0,2,0,0,0,0|1,0,0]=3 31824 B14R1.38 COCCSCS(=O)c1ccccc1 62a_100000233755_100000031784 [0,2,0,0,0,0|2,0,0]=4 31825 B14R1.38 COCCSC[C@@H](O)c1ccccc1 62a_100000233755_100011933945 [0,2,0,0,0,0|1,0,0]=3 31826 B14R1.38 COCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000233755 [0,2,0,0,0,0|1,0,0]=3 31827 B14R1.38 COCNCCC(O)c1ccccc1 2230a_100000763605_100000766300 [0,2,0,0,0,0|1,0,0]=3 31828 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [0,2,0,0,0,0|1,0,1]=4 31829 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [0,2,0,0,0,0|1,0,1]=4 31830 B14R1.38 COCSCCS(=O)c1ccccc1 62a_100000766300_100000740319 [0,2,0,0,0,0|2,0,0]=4 31831 B14R1.38 COCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000766300 [0,2,0,0,0,0|1,0,0]=3 31832 B14R1.38 COCSCC[C@@H](O)c1ccccc1 62a_100000766300_100000729684 [0,2,0,0,0,0|1,0,0]=3 31833 B14R1.38 CSCCCNC(C)c1ccccc1 2230a_100000749238_100000230085 [0,2,0,0,0,0|1,1,0]=4 31834 B14R1.38 CSCCCNC(C)c1ccccc1 269862a_100000749238_100000185851 [0,2,0,0,0,0|1,1,0]=4 31835 B14R1.38 CSCCCOC(C)c1ccccc1 34a_100000690336_100000211855 [0,2,0,0,0,0|1,1,0]=4 31836 B14R1.38 CSCCCOC(C)c1ccccc1 7a_100000690336_100000230085 [0,2,0,0,0,0|1,1,0]=4 31837 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100000701038_100000751147 [0,2,0,0,0,0|1,1,0]=4 31838 B14R1.38 CSCCNCC(C)c1ccccc1 2230a_100020590264_100000756946 [0,2,0,0,0,0|1,1,0]=4 31839 B14R1.38 CSCCNCC(C)c1ccccc1 270004a_100020590264_100000212034 [0,2,0,0,0,0|1,1,0]=4 31840 B14R1.38 CSCCNCC(C)c1ccccc1 34a_100000701038_100000212216 [0,2,0,0,0,0|1,1,0]=4 31841 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100000210709_100000751147 [0,2,0,0,0,0|1,1,0]=4 31842 B14R1.38 CSCCNCC(O)c1ccccc1 2230a_100020590264_100000185958 [0,2,0,0,0,0|1,1,0]=4 31843 B14R1.38 CSCCNC[C@@H](O)c1ccccc1 2230a_100020590264_100011933945 [0,2,0,0,0,0|1,1,0]=4 31844 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100000230434_100000756946 [0,2,0,0,0,0|1,1,0]=4 31845 B14R1.38 CSCCOCC(C)c1ccccc1 34a_100011215166_100000212216 [0,2,0,0,0,0|1,1,0]=4 31846 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100000230434_100000756946 [0,2,0,0,0,0|1,1,0]=4 31847 B14R1.38 CSCCOCC(C)c1ccccc1 7a_100011215166_100000212216 [0,2,0,0,0,0|1,1,0]=4 31848 B14R1.38 CSCCOCC(O)c1ccccc1 34a_100000230434_100000185958 [0,2,0,0,0,0|1,1,0]=4 31849 B14R1.38 CSCCOCC(O)c1ccccc1 7a_100000230434_100000185958 [0,2,0,0,0,0|1,1,0]=4 31850 B14R1.38 CSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000212216 [0,2,0,0,0,0|1,1,0]=4 31851 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 34a_100000230434_100011933945 [0,2,0,0,0,0|1,1,0]=4 31852 B14R1.38 CSCCOC[C@@H](O)c1ccccc1 7a_100000230434_100011933945 [0,2,0,0,0,0|1,1,0]=4 31853 B14R1.38 CSCCSCC(C)c1ccccc1 62a_100000212216_100000756946 [0,2,0,0,0,0|1,1,0]=4 31854 B14R1.38 CSCCSCC(C)c1ccccc1 62a_100000756946_100000751147 [0,2,0,0,0,0|1,1,0]=4 31855 B14R1.38 CSCCSCC(O)c1ccccc1 62a_100000185958_100000751147 [0,2,0,0,0,0|1,1,0]=4 31856 B14R1.38 CSCCSCC(O)c1ccccc1 62a_100000212216_100000185958 [0,2,0,0,0,0|1,1,0]=4 31857 B14R1.38 CSCCSC[C@@H](O)c1ccccc1 62a_100000212216_100011933945 [0,2,0,0,0,0|1,1,0]=4 31858 B14R1.38 CSCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000751147 [0,2,0,0,0,0|1,1,0]=4 31859 B14R1.38 CSCNCCC(O)c1ccccc1 2230a_100000763605_100011218213 [0,2,0,0,0,0|1,1,0]=4 31860 B14R1.38 CSCOCC[C@H](N)c1ccccc1 34a_100025705951_100011218213 [0,2,0,0,0,0|1,1,0]=4 31861 B14R1.38 CSCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011218213 [0,2,0,0,0,0|1,1,0]=4 31862 B14R1.38 CSCSCC[C@@H](O)c1ccccc1 62a_100011218213_100000729684 [0,2,0,0,0,0|1,1,0]=4 31863 B14R1.38 C[C@@H](NCC#CCO)c1ccccc1 2230a_100000751104_200000047223 [0,2,0,0,0,0|0,0,2]=4 31864 B14R1.38 C[C@@H](NCCCC#N)c1ccccc1 2230a_100000751104_100000687738 [0,2,0,0,0,0|1,0,1]=4 31865 B14R1.38 C[C@@H](NCCCC=O)c1ccccc1 2230a_100000751104_200011292268 [0,2,0,0,0,0|0,0,2]=4 31866 B14R1.38 C[C@@H](NCCCCF)c1ccccc1 2230a_100000751104_100000729493 [0,2,0,0,0,0|1,0,0]=3 31867 B14R1.38 C[C@@H](NCCCCO)c1ccccc1 2230a_100000751104_100000210776 [0,2,0,0,0,0|0,0,0]=2 31868 B14R1.38 C[C@@H](NCCCCO)c1cnccn1 2230a_100020589798_100000210776 [0,2,0,0,0,0|2,0,0]=4 31869 B14R1.38 C[C@@H](OCC#CCO)c1ccccc1 34a_100000761318_200000047223 [0,2,0,0,0,0|0,0,2]=4 31870 B14R1.38 C[C@@H](OCC#CCO)c1ccccc1 7a_100000761318_200000047223 [0,2,0,0,0,0|0,0,2]=4 31871 B14R1.38 C[C@@H](OCCCC#N)c1ccccc1 7a_100000761318_100000687738 [0,2,0,0,0,0|1,0,1]=4 31872 B14R1.38 C[C@@H](OCCCC=O)c1ccccc1 7a_100000761318_200011292268 [0,2,0,0,0,0|0,0,2]=4 31873 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 34a_100000761318_100000729493 [0,2,0,0,0,0|1,0,0]=3 31874 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 7a_100000761318_100000729493 [0,2,0,0,0,0|1,0,0]=3 31875 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 34a_100000761318_100011216708 [0,2,0,0,0,0|0,0,0]=2 31876 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 7a_100000761318_100000210776 [0,2,0,0,0,0|0,0,0]=2 31877 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [0,2,0,0,0,0|1,0,1]=4 31878 B14R1.38 N#CCCNCC(O)c1ccccc1 2230a_100000210709_100011215226 [0,2,0,0,0,0|1,0,1]=4 31879 B14R1.38 N#CCCSCC(O)c1ccccc1 62a_100000185958_100011215226 [0,2,0,0,0,0|1,0,1]=4 31880 B14R1.38 N#CCCSCC(O)c1ccccc1 62a_100011215226_100000185958 [0,2,0,0,0,0|1,0,1]=4 31881 B14R1.38 N#CCCSC[C@@H](O)c1ccccc1 62a_100011215226_100011933945 [0,2,0,0,0,0|1,0,1]=4 31882 B14R1.38 N#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215226 [0,2,0,0,0,0|1,0,1]=4 31883 B14R1.38 N#CCNCCC(O)c1ccccc1 2230a_100000763605_100011215382 [0,2,0,0,0,0|1,0,1]=4 31884 B14R1.38 N#CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011215382 [0,2,0,0,0,0|1,0,1]=4 31885 B14R1.38 N#CCSCC[C@@H](O)c1ccccc1 62a_100011215382_100000729684 [0,2,0,0,0,0|1,0,1]=4 31886 B14R1.38 NC(CCCOCF)c1ccccc1 34a_100000759318_100015361967 [0,2,0,0,0,0|1,0,0]=3 31887 B14R1.38 NCCCOCC(O)c1ccccc1 34a_100000182051_100000185958 [0,2,0,0,0,0|1,0,0]=3 31888 B14R1.38 NCCCOC[C@@H](O)c1ccccc1 34a_100000182051_100011933945 [0,2,0,0,0,0|1,0,0]=3 31889 B14R1.38 NCCOCC[C@@H](O)c1ccccc1 34a_100000210304_100000729684 [0,2,0,0,0,0|1,0,0]=3 31890 B14R1.38 NOCCOCC(O)c1ccccc1 34a_100000700252_100000185958 [0,2,0,0,0,0|1,0,0]=3 31891 B14R1.38 NOCCOC[C@@H](O)c1ccccc1 34a_100000700252_100011933945 [0,2,0,0,0,0|1,0,0]=3 31892 B14R1.38 N[C@@H](CCOCC=O)c1ccccc1 34a_100025705951_200009817547 [0,2,0,0,0,0|0,0,2]=4 31893 B14R1.38 N[C@@H](CCOCCF)c1ccccc1 34a_100025705951_100011217306 [0,2,0,0,0,0|1,0,0]=3 31894 B14R1.38 N[C@@H](CCOCCO)c1ccccc1 34a_100025705951_100000211926 [0,2,0,0,0,0|0,0,0]=2 31895 B14R1.38 N[C@H](COCCCF)c1ccccc1 34a_100000751927_100011934791 [0,2,0,0,0,0|1,0,0]=3 31896 B14R1.38 N[C@H](COCCCF)c1ccncc1 34a_100138412524_100011934791 [0,2,0,0,0,0|2,0,0]=4 31897 B14R1.38 N[C@H](COCCCO)c1ccccc1 34a_100000751927_100000230001 [0,2,0,0,0,0|0,0,0]=2 31898 B14R1.38 N[C@H](COCCCO)c1ccncc1 34a_100138412524_100000230001 [0,2,0,0,0,0|1,0,0]=3 31899 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [0,2,0,0,0,0|1,0,0]=3 31900 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [0,2,0,0,0,0|0,0,0]=2 31901 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100000211006_100015361967 [0,2,0,0,0,0|1,0,1]=4 31902 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100015361967_100000211006 [0,2,0,0,0,0|1,0,1]=4 31903 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [0,2,0,0,0,0|0,0,1]=3 31904 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [0,2,0,0,0,0|0,0,1]=3 31905 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [0,2,0,0,0,0|1,0,1]=4 31906 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [0,2,0,0,0,0|1,0,1]=4 31907 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [0,2,0,0,0,0|0,0,1]=3 31908 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [0,2,0,0,0,0|0,0,1]=3 31909 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [0,2,0,0,0,0|1,0,1]=4 31910 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [0,2,0,0,0,0|1,0,1]=4 31911 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [0,2,0,0,0,0|0,0,1]=3 31912 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [0,2,0,0,0,0|0,0,1]=3 31913 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100000027445_100011215043 [0,2,0,0,0,0|1,0,1]=4 31914 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100011215043_100000027445 [0,2,0,0,0,0|1,0,1]=4 31915 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100000757877_100011215043 [0,2,0,0,0,0|1,0,1]=4 31916 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100011215043_100000757877 [0,2,0,0,0,0|1,0,1]=4 31917 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100000027454_100011215043 [0,2,0,0,0,0|1,0,1]=4 31918 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100011215043_100000027454 [0,2,0,0,0,0|1,0,1]=4 31919 B14R1.38 O=C(NCCCCO)c1ccccc1 240690a_100000750430_100000185807 [0,2,0,0,0,0|0,0,1]=3 31920 B14R1.38 O=C(NCCCCO)c1ccccc1 527a_100000750430_100000185807 [0,2,0,0,0,0|0,0,1]=3 31921 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [0,2,0,0,0,0|1,0,1]=4 31922 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [0,2,0,0,0,0|1,0,1]=4 31923 B14R1.38 O=CCNCCC(O)c1ccccc1 2230a_100000763605_200015260668 [0,2,0,0,0,0|0,0,2]=4 31924 B14R1.38 O=CCSCC[C@@H](O)c1ccccc1 62a_100000729684_200015260668 [0,2,0,0,0,0|0,0,2]=4 31925 B14R1.38 O=CCSCC[C@@H](O)c1ccccc1 62a_200015260668_100000729684 [0,2,0,0,0,0|0,0,2]=4 31926 B14R1.38 O=S(CCNCCO)c1ccccc1 2230a_100016997473_100000740319 [0,2,0,0,0,0|1,0,0]=3 31927 B14R1.38 O=S(CCSCCF)c1ccccc1 62a_100011217306_100000740319 [0,2,0,0,0,0|2,0,0]=4 31928 B14R1.38 O=S(CCSCCO)c1ccccc1 62a_100000211926_100000740319 [0,2,0,0,0,0|1,0,0]=3 31929 B14R1.38 O=S(CSCCCF)c1ccccc1 62a_100011934791_100000031784 [0,2,0,0,0,0|2,0,0]=4 31930 B14R1.38 O=S(CSCCCO)c1ccccc1 62a_100011215043_100000031784 [0,2,0,0,0,0|1,0,0]=3 31931 B14R1.38 OC(CCNCCF)c1ccccc1 2230a_100000763605_100011217306 [0,2,0,0,0,0|1,0,0]=3 31932 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100000210709_100011934791 [0,2,0,0,0,0|1,0,0]=3 31933 B14R1.38 OC(CNCCCF)c1ccccc1 2230a_100015189416_100000185958 [0,2,0,0,0,0|1,0,0]=3 31934 B14R1.38 OC(CNCCCF)c1ccccc1 34a_100015189416_100000185958 [0,2,0,0,0,0|1,0,0]=3 31935 B14R1.38 OC(CNCCCF)c1ccccn1 2230a_100000691469_100011934791 [0,2,0,0,0,0|2,0,0]=4 31936 B14R1.38 OC(CNCCCF)c1cccnc1 2230a_100020605170_100011934791 [0,2,0,0,0,0|2,0,0]=4 31937 B14R1.38 OC(COCCCBr)c1ccccc1 34a_100011217188_100000185958 [0,2,0,0,0,0|1,0,0]=3 31938 B14R1.38 OC(COCCCCl)c1ccccc1 34a_100000230001_100000185958 [0,2,0,0,0,0|1,0,0]=3 31939 B14R1.38 OC(COCCCF)c1ccccc1 34a_100000759539_100000185958 [0,2,0,0,0,0|1,0,0]=3 31940 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100000185958_100011934791 [0,2,0,0,0,0|1,0,0]=3 31941 B14R1.38 OC(CSCCCF)c1ccccc1 62a_100011934791_100000185958 [0,2,0,0,0,0|1,0,0]=3 31942 B14R1.38 OCCCNCC(O)c1ccccc1 2230a_100000210709_100000230001 [0,2,0,0,0,0|0,0,0]=2 31943 B14R1.38 OCCCNCC(O)c1ccccn1 2230a_100000691469_100000230001 [0,2,0,0,0,0|1,0,0]=3 31944 B14R1.38 OCCCNCC(O)c1cccnc1 2230a_100020605170_100000230001 [0,2,0,0,0,0|1,0,0]=3 31945 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100000185958_100011215043 [0,2,0,0,0,0|0,0,0]=2 31946 B14R1.38 OCCCSCC(O)c1ccccc1 62a_100011215043_100000185958 [0,2,0,0,0,0|0,0,0]=2 31947 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011215043_100011933945 [0,2,0,0,0,0|0,0,0]=2 31948 B14R1.38 OCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215043 [0,2,0,0,0,0|0,0,0]=2 31949 B14R1.38 OCCNCCC(O)c1ccccc1 2230a_100000763605_100000211926 [0,2,0,0,0,0|0,0,0]=2 31950 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 2230a_100016997473_100000729684 [0,2,0,0,0,0|0,0,0]=2 31951 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 34a_100016990907_100000729684 [0,2,0,0,0,0|0,0,0]=2 31952 B14R1.38 OCCSCC[C@@H](O)c1ccccc1 62a_100000211926_100000729684 [0,2,0,0,0,0|0,0,0]=2 31953 B14R1.38 OCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000211926 [0,2,0,0,0,0|0,0,0]=2 31954 B14R1.38 O[C@H](CCNCCF)c1ccccc1 34a_100000724931_100000729684 [0,2,0,0,0,0|1,0,0]=3 31955 B14R1.38 O[C@H](CCOCCBr)c1ccccc1 34a_100000211926_100000729684 [0,2,0,0,0,0|1,0,0]=3 31956 B14R1.38 O[C@H](CCSCCF)c1ccccc1 62a_100000729684_100011217306 [0,2,0,0,0,0|1,0,0]=3 31957 B14R1.38 O[C@H](CCSCCF)c1ccccc1 62a_100011217306_100000729684 [0,2,0,0,0,0|1,0,0]=3 31958 B14R1.38 O[C@H](CNCCCF)c1ccccc1 2230a_100015189416_100011933945 [0,2,0,0,0,0|1,0,0]=3 31959 B14R1.38 O[C@H](CNCCCF)c1ccccc1 34a_100015189416_100011933945 [0,2,0,0,0,0|1,0,0]=3 31960 B14R1.38 O[C@H](COCCCBr)c1ccccc1 34a_100011217188_100011933945 [0,2,0,0,0,0|1,0,0]=3 31961 B14R1.38 O[C@H](COCCCCl)c1ccccc1 34a_100000230001_100011933945 [0,2,0,0,0,0|1,0,0]=3 31962 B14R1.38 O[C@H](COCCCF)c1ccccc1 34a_100000759539_100011933945 [0,2,0,0,0,0|1,0,0]=3 31963 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011933945_100011934791 [0,2,0,0,0,0|1,0,0]=3 31964 B14R1.38 O[C@H](CSCCCF)c1ccccc1 62a_100011934791_100011933945 [0,2,0,0,0,0|1,0,0]=3 31965 B14R1.46 CC(C)(CNCCF)c1ccccc1 2230a_100011211644_100011217306 [0,2,0,0,0,0|2,0,0]=4 31966 B14R1.46 CC(C)(CNCCO)c1ccccc1 2230a_100011211644_100000211926 [0,2,0,0,0,0|1,0,0]=3 31967 B14R1.46 CC(C)(COCCF)c1ccccc1 7a_100000747608_100011217306 [0,2,0,0,0,0|2,0,0]=4 31968 B14R1.46 CC(C)(COCCO)c1ccccc1 7a_100000747608_100000211926 [0,2,0,0,0,0|1,0,0]=3 31969 B14R1.46 CC(C)(CSCCF)c1ccccc1 62a_100000703224_100011217306 [0,2,0,0,0,0|2,0,0]=4 31970 B14R1.46 CC(C)(CSCCF)c1ccccc1 62a_100011217306_100000703224 [0,2,0,0,0,0|2,0,0]=4 31971 B14R1.46 CC(C)(CSCCO)c1ccccc1 62a_100000211926_100000703224 [0,2,0,0,0,0|1,0,0]=3 31972 B14R1.46 CC(C)(CSCCO)c1ccccc1 62a_100000703224_100000211926 [0,2,0,0,0,0|1,0,0]=3 31973 B14R1.46 CC(C)(NCCCF)c1ccccc1 2230a_100011218174_100011934791 [0,2,0,0,0,0|2,0,0]=4 31974 B14R1.46 CC(C)(NCCCF)c1ccccc1 2230a_100015189416_100000034625 [0,2,0,0,0,0|2,0,0]=4 31975 B14R1.46 CC(C)(NCCCO)c1ccccc1 2230a_100011218174_100000230001 [0,2,0,0,0,0|1,0,0]=3 31976 B14R1.46 CC(C)(NCCCO)c1ccccn1 2230a_100011999416_100000230001 [0,2,0,0,0,0|2,0,0]=4 31977 B14R1.46 CC(C)(NCCCO)c1cccnc1 2230a_100011376175_100000230001 [0,2,0,0,0,0|2,0,0]=4 31978 B14R1.46 CC(C)(OCCCF)c1ccccc1 7a_100000694644_100011934791 [0,2,0,0,0,0|2,0,0]=4 31979 B14R1.46 CC(C)(OCCCO)c1ccccc1 7a_100000694644_100011215043 [0,2,0,0,0,0|1,0,0]=3 31980 B14R1.46 CC(C)(OCCCO)c1ccccn1 7a_100000041474_100011215043 [0,2,0,0,0,0|2,0,0]=4 31981 B14R1.46 CC(C)(SCCCF)c1ccccc1 62a_100000034625_100011934791 [0,2,0,0,0,0|2,0,0]=4 31982 B14R1.46 CC(C)(SCCCF)c1ccccc1 62a_100011934791_100000034625 [0,2,0,0,0,0|2,0,0]=4 31983 B14R1.46 CC(C)(SCCCO)c1ccccc1 62a_100000034625_100011215043 [0,2,0,0,0,0|1,0,0]=3 31984 B14R1.46 CC(C)(SCCCO)c1ccccc1 62a_100011215043_100000034625 [0,2,0,0,0,0|1,0,0]=3 31985 B14R1.46 CC(O)(CNCCF)c1ccccc1 2230a_100011660926_100011217306 [0,2,0,0,0,0|2,0,0]=4 31986 B14R1.46 CC(O)(CNCCO)c1ccccc1 2230a_100011660926_100000211926 [0,2,0,0,0,0|1,0,0]=3 31987 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100000102301_100000034625 [0,2,0,0,0,0|2,0,0]=4 31988 B14R1.46 CCCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210211 [0,2,0,0,0,0|2,0,0]=4 31989 B14R1.46 CCCCNC(F)(F)c1ccccc1 7a_106832991798_100000036403 [0,2,0,0,0,0|2,0,0]=4 31990 B14R1.46 CCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210211 [0,2,0,0,0,0|2,0,0]=4 31991 B14R1.46 CCCCOC(F)(F)c1ccccc1 7a_100000210227_100000036403 [0,2,0,0,0,0|2,0,0]=4 31992 B14R1.46 CCCCSC(C)(C)c1ccccc1 62a_100000034625_100000210210 [0,2,0,0,0,0|2,0,0]=4 31993 B14R1.46 CCCCSC(C)(C)c1ccccc1 62a_100000210211_100000034625 [0,2,0,0,0,0|2,0,0]=4 31994 B14R1.46 CCCCSC(F)(F)c1ccccc1 62a_100000210211_100000036403 [0,2,0,0,0,0|2,0,0]=4 31995 B14R1.46 CCCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210303 [0,2,0,0,0,0|2,0,0]=4 31996 B14R1.46 CCCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210303 [0,2,0,0,0,0|2,0,0]=4 31997 B14R1.46 CCCNCC(F)(F)c1ccccc1 34a_100000717977_100000210303 [0,2,0,0,0,0|2,0,0]=4 31998 B14R1.46 CCCOCC(C)(C)c1ccccc1 7a_100000747608_100000210303 [0,2,0,0,0,0|2,0,0]=4 31999 B14R1.46 CCCOCC(F)(F)c1ccccc1 34a_100000210258_100009875531 [0,2,0,0,0,0|2,0,0]=4 32000 B14R1.46 CCCSCC(C)(C)c1ccccc1 62a_100000210303_100000703224 [0,2,0,0,0,0|2,0,0]=4 32001 B14R1.46 CCCSCC(C)(C)c1ccccc1 62a_100000703224_100000210303 [0,2,0,0,0,0|2,0,0]=4 32002 B14R1.46 CCCSCC(F)(F)c1ccccc1 62a_100000210303_100009875531 [0,2,0,0,0,0|2,0,0]=4 32003 B14R1.46 CCCSCC(F)(F)c1ccccc1 62a_100009875531_100000210303 [0,2,0,0,0,0|2,0,0]=4 32004 B14R1.46 C[Si](C)(CNCCO)c1ccccc1 2230a_100016997473_100000038972 [0,2,0,0,0,0|1,1,0]=4 32005 B14R1.46 C[Si](C)(CSCCO)c1ccccc1 62a_100000038972_100000211926 [0,2,0,0,0,0|1,1,0]=4 32006 B14R1.46 C[Si](C)(CSCCO)c1ccccc1 62a_100000211926_100000038972 [0,2,0,0,0,0|1,1,0]=4 32007 B14R1.46 FC(F)(COCCBr)c1ccccc1 34a_100000211926_100009875531 [0,2,0,0,0,0|2,0,0]=4 32008 B14R1.46 FCCCSC(F)(F)c1ccccc1 62a_100011934791_100000036403 [0,2,0,0,0,0|2,0,0]=4 32009 B14R1.46 FCCNCC(F)(F)c1ccccc1 34a_100000717977_100011217306 [0,2,0,0,0,0|2,0,0]=4 32010 B14R1.46 FCCNCC(F)(F)c1ccccc1 34a_100000724931_100009875531 [0,2,0,0,0,0|2,0,0]=4 32011 B14R1.46 FCCSCC(F)(F)c1ccccc1 62a_100009875531_100011217306 [0,2,0,0,0,0|2,0,0]=4 32012 B14R1.46 FCCSCC(F)(F)c1ccccc1 62a_100011217306_100009875531 [0,2,0,0,0,0|2,0,0]=4 32013 B14R1.46 NCCOCC(F)(F)c1ccccc1 34a_100000210304_100009875531 [0,2,0,0,0,0|2,0,0]=4 32014 B14R1.46 O=S(=O)(CNCCO)c1ccccc1 34a_100016990907_200009813291 [0,2,0,0,0,0|2,0,0]=4 32015 B14R1.46 O=S(=O)(CSCCO)c1ccccc1 62a_100000211926_100000240042 [0,2,0,0,0,0|2,0,0]=4 32016 B14R1.46 O=S(=O)(CSCCO)c1ccccc1 62a_100000240042_100000211926 [0,2,0,0,0,0|2,0,0]=4 32017 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 270084a_100000182051_100000210345 [0,2,0,0,0,0|2,0,0]=4 32018 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 274078a_100000182051_100000210345 [0,2,0,0,0,0|2,0,0]=4 32019 B14R1.46 O=S(=O)(NCCCO)c1ccccc1 40a_100000182051_100000032697 [0,2,0,0,0,0|2,0,0]=4 32020 B14R1.46 OCCCSC(F)(F)c1ccccc1 62a_100011215043_100000036403 [0,2,0,0,0,0|1,0,0]=3 32021 B14R1.46 OCCNCC(F)(F)c1ccccc1 34a_100000717977_100000211926 [0,2,0,0,0,0|1,0,0]=3 32022 B14R1.46 OCCNCC(F)(F)c1ccccc1 34a_100016990907_100009875531 [0,2,0,0,0,0|1,0,0]=3 32023 B14R1.46 OCCSCC(F)(F)c1ccccc1 62a_100000211926_100009875531 [0,2,0,0,0,0|1,0,0]=3 32024 B14R1.46 OCCSCC(F)(F)c1ccccc1 62a_100009875531_100000211926 [0,2,0,0,0,0|1,0,0]=3 32025 B14R1.121 C#CC(OCCCC)c1ccccc1 34a_100011219616_100000210210 [0,2,0,0,0,0|2,0,0]=4 32026 B14R1.121 C#CC(OCCCC)c1ccccc1 7a_100011219616_100000210211 [0,2,0,0,0,0|2,0,0]=4 32027 B14R1.121 C#CC(OCCCF)c1ccccc1 34a_100011219616_100011934791 [0,2,0,0,0,0|2,0,0]=4 32028 B14R1.121 C#CC(OCCCF)c1ccccc1 7a_100011219616_100011934791 [0,2,0,0,0,0|2,0,0]=4 32029 B14R1.121 C#CC(OCCCO)c1ccccc1 34a_100011219616_100000230001 [0,2,0,0,0,0|1,0,0]=3 32030 B14R1.121 C#CC(OCCCO)c1ccccc1 7a_100011219616_100011215043 [0,2,0,0,0,0|1,0,0]=3 32031 B14R1.121 C=CC(NCCCC)c1ccccc1 2230a_100000102301_200000085779 [0,2,0,0,0,0|2,0,0]=4 32032 B14R1.121 C=CC(NCCCF)c1ccccc1 2230a_100015189416_200000085779 [0,2,0,0,0,0|2,0,0]=4 32033 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [0,2,0,0,0,0|2,0,0]=4 32034 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [0,2,0,0,0,0|2,0,0]=4 32035 B14R1.121 C=CC(OCCCF)c1ccccc1 34a_100011215659_100011934791 [0,2,0,0,0,0|2,0,0]=4 32036 B14R1.121 C=CC(OCCCF)c1ccccc1 7a_100011215659_100011934791 [0,2,0,0,0,0|2,0,0]=4 32037 B14R1.121 C=CC(OCCCO)c1ccccc1 34a_100011215659_100000230001 [0,2,0,0,0,0|1,0,0]=3 32038 B14R1.121 C=CC(OCCCO)c1ccccc1 7a_100011215659_100011215043 [0,2,0,0,0,0|1,0,0]=3 32039 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_100000210211_200000085779 [0,2,0,0,0,0|2,0,0]=4 32040 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_200000085779_100000210210 [0,2,0,0,0,0|2,0,0]=4 32041 B14R1.121 C=CC(SCCCF)c1ccccc1 62a_100011934791_200000085779 [0,2,0,0,0,0|2,0,0]=4 32042 B14R1.121 C=CC(SCCCF)c1ccccc1 62a_200000085779_100011934791 [0,2,0,0,0,0|2,0,0]=4 32043 B14R1.121 C=CC(SCCCO)c1ccccc1 62a_100011215043_200000085779 [0,2,0,0,0,0|1,0,0]=3 32044 B14R1.121 C=CC(SCCCO)c1ccccc1 62a_200000085779_100011215043 [0,2,0,0,0,0|1,0,0]=3 32045 B14R1.121 CCC(CNCCO)c1ccccc1 270004a_100000210304_100000753018 [0,2,0,0,0,0|1,0,0]=3 32046 B14R1.121 CCC(COCCF)c1ccccc1 34a_100000752371_100011217306 [0,2,0,0,0,0|2,0,0]=4 32047 B14R1.121 CCC(COCCF)c1ccccc1 7a_100000752371_100011217306 [0,2,0,0,0,0|2,0,0]=4 32048 B14R1.121 CCC(COCCO)c1ccccc1 34a_100000752371_100000211926 [0,2,0,0,0,0|1,0,0]=3 32049 B14R1.121 CCC(COCCO)c1ccccc1 7a_100000752371_100000211926 [0,2,0,0,0,0|1,0,0]=3 32050 B14R1.121 CCC(NCCCF)c1ccccc1 2230a_100000737752_100011934791 [0,2,0,0,0,0|2,0,0]=4 32051 B14R1.121 CCC(NCCCF)c1ccccc1 269862a_100015189416_100000210124 [0,2,0,0,0,0|2,0,0]=4 32052 B14R1.121 CCC(NCCCO)c1ccccc1 2230a_100000737752_100000230001 [0,2,0,0,0,0|1,0,0]=3 32053 B14R1.121 CCC(NCCCO)c1ccccc1 269862a_100000182051_100000210124 [0,2,0,0,0,0|1,0,0]=3 32054 B14R1.121 CCC(NCCCO)c1ccccn1 2230a_100015186561_100000230001 [0,2,0,0,0,0|2,0,0]=4 32055 B14R1.121 CCC(NCCCO)c1ccccn1 269862a_100000182051_100000748178 [0,2,0,0,0,0|2,0,0]=4 32056 B14R1.121 CCC(NCCCO)c1cccnc1 2230a_100000246009_100000230001 [0,2,0,0,0,0|2,0,0]=4 32057 B14R1.121 CCC(NCCCO)c1cccnc1 269862a_100000182051_100011218761 [0,2,0,0,0,0|2,0,0]=4 32058 B14R1.121 CCC(NCCCO)c1ccncc1 269862a_100000182051_100011216016 [0,2,0,0,0,0|2,0,0]=4 32059 B14R1.121 CCC(OCCCF)c1ccccc1 34a_100000698172_100011934791 [0,2,0,0,0,0|2,0,0]=4 32060 B14R1.121 CCC(OCCCF)c1ccccc1 7a_100000698172_100011934791 [0,2,0,0,0,0|2,0,0]=4 32061 B14R1.121 CCC(OCCCO)c1ccccc1 34a_100000698172_100000230001 [0,2,0,0,0,0|1,0,0]=3 32062 B14R1.121 CCC(OCCCO)c1ccccc1 7a_100000698172_100011215043 [0,2,0,0,0,0|1,0,0]=3 32063 B14R1.121 CCCCCC(NC)c1ccccc1 269862a_106832991636_100000211787 [0,2,0,0,0,0|1,0,0]=3 32064 B14R1.121 CCCCCC(NC)c1cccnc1 269862a_106832991636_200011709928 [0,2,0,0,0,0|2,0,0]=4 32065 B14R1.121 CCCCCC(OC)c1ccccc1 34a_100000748122_200000210301 [0,2,0,0,0,0|1,0,0]=3 32066 B14R1.121 CCCCCC(OC)c1ccccc1 7a_100000748122_200000210301 [0,2,0,0,0,0|1,0,0]=3 32067 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 34a_100000748122_200025704644 [0,2,0,0,0,0|1,0,0]=3 32068 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 7a_100000748122_200025704644 [0,2,0,0,0,0|1,0,0]=3 32069 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_100000210013_100000210326 [0,2,0,0,0,0|2,0,0]=4 32070 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_200000219563_100000210202 [0,2,0,0,0,0|2,0,0]=4 32071 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_100000210013_100000210215 [0,2,0,0,0,0|2,0,0]=4 32072 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_200000219563_100000204670 [0,2,0,0,0,0|2,0,0]=4 32073 B14R1.121 CCCCCN(CC)c1ccccc1 34a_100000210013_100000718602 [0,2,0,0,0,0|2,0,0]=4 32074 B14R1.121 CCCCCN(CC)c1ccccc1 34a_200000219563_100000210202 [0,2,0,0,0,0|2,0,0]=4 32075 B14R1.121 CCCCCN(CC)c1ccccc1 7a_200000219563_100000210202 [0,2,0,0,0,0|2,0,0]=4 32076 B14R1.121 CCCCCN(CF)c1ccccc1 269982a_200000219563_100015361967 [0,2,0,0,0,0|2,0,0]=4 32077 B14R1.121 CCCCCN(CF)c1ccccc1 34a_200000219563_100015361967 [0,2,0,0,0,0|2,0,0]=4 32078 B14R1.121 CCCCCN(CF)c1ccccc1 7a_200000219563_100015361967 [0,2,0,0,0,0|2,0,0]=4 32079 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,2,0,0,0,0|2,0,0]=4 32080 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,2,0,0,0,0|2,0,0]=4 32081 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,2,0,0,0,0|2,0,0]=4 32082 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,2,0,0,0,0|2,0,0]=4 32083 B14R1.121 CCCCOC(C#N)c1ccccc1 7a_100011217353_100000210211 [0,2,0,0,0,0|2,0,0]=4 32084 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,2,0,0,0,0|2,0,0]=4 32085 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,2,0,0,0,0|2,0,0]=4 32086 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,2,0,0,0,0|2,0,0]=4 32087 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,2,0,0,0,0|2,0,0]=4 32088 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,2,0,0,0,0|2,0,0]=4 32089 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,2,0,0,0,0|2,0,0]=4 32090 B14R1.121 CCCNCC(CC)c1ccccc1 270004a_100020643023_100000753018 [0,2,0,0,0,0|2,0,0]=4 32091 B14R1.121 CCCOCC(CC)c1ccccc1 34a_100000752371_100000210303 [0,2,0,0,0,0|2,0,0]=4 32092 B14R1.121 CCCOCC(CC)c1ccccc1 7a_100000752371_100000210303 [0,2,0,0,0,0|2,0,0]=4 32093 B14R1.121 CCCOCC(OC)c1ccccc1 34a_100011215540_100000210303 [0,2,0,0,0,0|2,0,0]=4 32094 B14R1.121 CCCOCC(OC)c1ccccc1 7a_100011215540_100000210303 [0,2,0,0,0,0|2,0,0]=4 32095 B14R1.121 CCN(CCCCF)c1ccccc1 2230a_100000210013_100000729493 [0,2,0,0,0,0|2,0,0]=4 32096 B14R1.121 CCN(CCCCF)c1ccccc1 269982a_100000210013_100000729493 [0,2,0,0,0,0|2,0,0]=4 32097 B14R1.121 CCN(CCCCF)c1ccccc1 34a_100000210013_100000729493 [0,2,0,0,0,0|2,0,0]=4 32098 B14R1.121 CCN(CCCCO)c1ccccc1 2230a_100000210013_100000210776 [0,2,0,0,0,0|1,0,0]=3 32099 B14R1.121 CCN(CCCCO)c1ccccc1 269982a_100000210013_100000210776 [0,2,0,0,0,0|1,0,0]=3 32100 B14R1.121 CCN(CCCCO)c1ccccc1 34a_100000210013_100011216708 [0,2,0,0,0,0|1,0,0]=3 32101 B14R1.121 COC(COCCF)c1ccccc1 34a_100011215540_100011217306 [0,2,0,0,0,0|2,0,0]=4 32102 B14R1.121 COC(COCCF)c1ccccc1 7a_100011215540_100011217306 [0,2,0,0,0,0|2,0,0]=4 32103 B14R1.121 COC(COCCO)c1ccccc1 34a_100011215540_100000211926 [0,2,0,0,0,0|1,0,0]=3 32104 B14R1.121 COC(COCCO)c1ccccc1 7a_100011215540_100000211926 [0,2,0,0,0,0|1,0,0]=3 32105 B14R1.121 FCCCOC(CBr)c1ccccc1 7a_100000185958_100011934791 [0,2,0,0,0,0|2,0,0]=4 32106 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011934791 [0,2,0,0,0,0|2,0,0]=4 32107 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011934791 [0,2,0,0,0,0|2,0,0]=4 32108 B14R1.121 N#CC(OCCCF)c1ccccc1 7a_100011217353_100011934791 [0,2,0,0,0,0|2,0,0]=4 32109 B14R1.121 N#CC(OCCCO)c1ccccc1 7a_100011217353_100011215043 [0,2,0,0,0,0|1,0,0]=3 32110 B14R1.121 NCC(OCCCF)c1ccccc1 34a_100000210709_100011934791 [0,2,0,0,0,0|2,0,0]=4 32111 B14R1.121 NCC(OCCCO)c1ccccc1 34a_100000210709_100000230001 [0,2,0,0,0,0|1,0,0]=3 32112 B14R1.121 OCCCNC(CO)c1ccccn1 2230a_100015196888_100000230001 [0,2,0,0,0,0|2,0,0]=4 32113 B14R1.121 OCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000230001 [0,2,0,0,0,0|1,0,0]=3 32114 B14R1.121 OCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000230001 [0,2,0,0,0,0|1,0,0]=3 32115 B14R1.121 OCCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000230001 [0,2,0,0,0,0|2,0,0]=4 32116 B14R1.121 OCCCOC(CBr)c1ccccc1 7a_100000185958_100011215043 [0,2,0,0,0,0|1,0,0]=3 32117 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000230001 [0,2,0,0,0,0|1,0,0]=3 32118 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215043 [0,2,0,0,0,0|1,0,0]=3 32119 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 2230a_100000751927_100011934791 [0,2,0,0,0,0|2,0,0]=4 32120 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 34a_100000751927_100011934791 [0,2,0,0,0,0|2,0,0]=4 32121 B14R1.163 CC(CF)OCC(C)c1ccccc1 34a_100016041109_100000756946 [0,2,0,0,0,0|2,0,0]=4 32122 B14R1.163 CC(CF)OCC(C)c1ccccc1 7a_100016041109_100000756946 [0,2,0,0,0,0|2,0,0]=4 32123 B14R1.163 CC(CF)OCC(O)c1ccccc1 34a_100016041109_100000185958 [0,2,0,0,0,0|2,0,0]=4 32124 B14R1.163 CC(CF)OCC(O)c1ccccc1 7a_100016041109_100000185958 [0,2,0,0,0,0|2,0,0]=4 32125 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 34a_100016041109_100011933945 [0,2,0,0,0,0|2,0,0]=4 32126 B14R1.163 CC(CF)OC[C@@H](O)c1ccccc1 7a_100016041109_100011933945 [0,2,0,0,0,0|2,0,0]=4 32127 B14R1.163 CC(CN)COC(C)c1ccccc1 34a_100000744482_100000211855 [0,2,0,0,0,0|2,0,0]=4 32128 B14R1.163 CC(CN)OCC(C)c1ccccc1 34a_100000210904_100000756946 [0,2,0,0,0,0|2,0,0]=4 32129 B14R1.163 CC(CN)OCC(O)c1ccccc1 34a_100000210904_100000185958 [0,2,0,0,0,0|2,0,0]=4 32130 B14R1.163 CC(CN)OC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,2,0,0,0,0|2,0,0]=4 32131 B14R1.163 CC(CNC(=O)CO)c1ccccc1 240690a_100000701038_100000210174 [0,2,0,0,0,0|1,0,1]=4 32132 B14R1.163 CC(CNC(=O)CO)c1ccccc1 527a_100000701038_100000210174 [0,2,0,0,0,0|1,0,1]=4 32133 B14R1.163 CC(CN[C@H](C)CF)c1ccccc1 270004a_100102880703_100000212034 [0,2,0,0,0,0|2,0,0]=4 32134 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 2230a_100000737577_100000756946 [0,2,0,0,0,0|1,0,0]=3 32135 B14R1.163 CC(CN[C@H](C)CO)c1ccccc1 270004a_100000737577_100000212034 [0,2,0,0,0,0|1,0,0]=3 32136 B14R1.163 CC(CO)CNC(=O)c1ccccc1 240690a_100000744482_100000185807 [0,2,0,0,0,0|1,0,1]=4 32137 B14R1.163 CC(CO)CNC(=O)c1ccccc1 527a_100000744482_100000185807 [0,2,0,0,0,0|1,0,1]=4 32138 B14R1.163 CC(CO)CNC(C)c1ccccc1 269862a_100000744482_100000185851 [0,2,0,0,0,0|1,0,0]=3 32139 B14R1.163 CC(CO)CNC(C)c1ccccc1 34a_100000744482_100000211855 [0,2,0,0,0,0|1,0,0]=3 32140 B14R1.163 CC(CO)CNC(C)c1ccccn1 269862a_100000744482_100000210467 [0,2,0,0,0,0|2,0,0]=4 32141 B14R1.163 CC(CO)CNC(C)c1cccnc1 269862a_100000744482_100000210468 [0,2,0,0,0,0|2,0,0]=4 32142 B14R1.163 CC(CO)CNC(C)c1ccncc1 269862a_100000744482_100000185792 [0,2,0,0,0,0|2,0,0]=4 32143 B14R1.163 CC(CO)NCC(C)c1ccccc1 2230a_100000701038_100012180447 [0,2,0,0,0,0|1,0,0]=3 32144 B14R1.163 CC(CO)NCC(C)c1ccccc1 34a_100000701038_100012180447 [0,2,0,0,0,0|1,0,0]=3 32145 B14R1.163 CC(CO)NCC(O)c1ccccc1 2230a_100000210709_100012180447 [0,2,0,0,0,0|1,0,0]=3 32146 B14R1.163 CC(CO)NCC(O)c1ccccn1 2230a_100000691469_100012180447 [0,2,0,0,0,0|2,0,0]=4 32147 B14R1.163 CC(CO)NCC(O)c1cccnc1 2230a_100020605170_100012180447 [0,2,0,0,0,0|2,0,0]=4 32148 B14R1.163 CC(CO)OCC(C)c1ccccc1 34a_100011215166_100012180447 [0,2,0,0,0,0|1,0,0]=3 32149 B14R1.163 CC(CO)OCC(C)c1ccccc1 7a_100011215166_100012180447 [0,2,0,0,0,0|1,0,0]=3 32150 B14R1.163 CC(CO)OC[C@@H](N)c1ccccc1 34a_100000751927_100012180447 [0,2,0,0,0,0|1,0,0]=3 32151 B14R1.163 CC(CO)OC[C@@H](N)c1ccncc1 34a_100138412524_100012180447 [0,2,0,0,0,0|2,0,0]=4 32152 B14R1.163 CC(CO)SCC(=O)c1ccccc1 62a_100012180447_100000211460 [0,2,0,0,0,0|1,0,1]=4 32153 B14R1.163 CC(CO)SCC(C)c1ccccc1 62a_100012180447_100000756946 [0,2,0,0,0,0|1,0,0]=3 32154 B14R1.163 CC(CO)SCC(O)c1ccccc1 62a_100012180447_100000185958 [0,2,0,0,0,0|1,0,0]=3 32155 B14R1.163 CC(CO)SCS(=O)c1ccccc1 62a_100012180447_100000031784 [0,2,0,0,0,0|2,0,0]=4 32156 B14R1.163 CC(CO)SC[C@@H](O)c1ccccc1 62a_100012180447_100011933945 [0,2,0,0,0,0|1,0,0]=3 32157 B14R1.163 CC(CS[C@H](C)CO)c1ccccc1 62a_100000756946_100016084084 [0,2,0,0,0,0|1,0,0]=3 32158 B14R1.163 CC(CS[C@H](C)CO)c1ccccc1 62a_100016084084_100000756946 [0,2,0,0,0,0|1,0,0]=3 32159 B14R1.163 CC(NCC(O)CO)c1ccccn1 2230a_100000181244_100011219619 [0,2,0,0,0,0|2,0,0]=4 32160 B14R1.163 CC(NCC(O)CO)c1cccnc1 2230a_100000195435_100011219619 [0,2,0,0,0,0|2,0,0]=4 32161 B14R1.163 CC(NCC(O)CO)c1ccncc1 2230a_100000181269_100011219619 [0,2,0,0,0,0|2,0,0]=4 32162 B14R1.163 CC(NC[C@@H](C)CO)c1ccccn1 2230a_100000181244_100000059175 [0,2,0,0,0,0|2,0,0]=4 32163 B14R1.163 CC(NC[C@@H](C)CO)c1cccnc1 2230a_100000195435_100000059175 [0,2,0,0,0,0|2,0,0]=4 32164 B14R1.163 CC(NC[C@@H](C)CO)c1ccncc1 2230a_100000181269_100000059175 [0,2,0,0,0,0|2,0,0]=4 32165 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 269862a_100015665980_100000185851 [0,2,0,0,0,0|1,0,0]=3 32166 B14R1.163 CC(NC[C@@H](F)CO)c1ccccc1 34a_100015665980_100000211855 [0,2,0,0,0,0|1,0,0]=3 32167 B14R1.163 CC(NC[C@@H](F)CO)c1ccccn1 269862a_100015665980_100000210467 [0,2,0,0,0,0|2,0,0]=4 32168 B14R1.163 CC(NC[C@@H](F)CO)c1cccnc1 269862a_100015665980_100000210468 [0,2,0,0,0,0|2,0,0]=4 32169 B14R1.163 CC(NC[C@@H](F)CO)c1ccncc1 269862a_100015665980_100000185792 [0,2,0,0,0,0|2,0,0]=4 32170 B14R1.163 CC(NC[C@@H](O)CO)c1ccccn1 2230a_100000181244_100009815848 [0,2,0,0,0,0|2,0,0]=4 32171 B14R1.163 CC(NC[C@@H](O)CO)c1cccnc1 2230a_100000195435_100009815848 [0,2,0,0,0,0|2,0,0]=4 32172 B14R1.163 CC(NC[C@@H](O)CO)c1ccncc1 2230a_100000181269_100009815848 [0,2,0,0,0,0|2,0,0]=4 32173 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000230085 [0,2,0,0,0,0|1,0,0]=3 32174 B14R1.163 CC(NC[C@H](O)CO)c1ccccc1 269862a_100020644852_100000185851 [0,2,0,0,0,0|1,0,0]=3 32175 B14R1.163 CC(NC[C@H](O)CO)c1ccccn1 269862a_100020644852_100000210467 [0,2,0,0,0,0|2,0,0]=4 32176 B14R1.163 CC(NC[C@H](O)CO)c1cccnc1 269862a_100020644852_100000210468 [0,2,0,0,0,0|2,0,0]=4 32177 B14R1.163 CC(NC[C@H](O)CO)c1ccncc1 269862a_100020644852_100000185792 [0,2,0,0,0,0|2,0,0]=4 32178 B14R1.163 CC(OCC(Cl)CCl)c1ccccc1 34a_100000033668_100000211855 [0,2,0,0,0,0|2,0,0]=4 32179 B14R1.163 CC(OC[C@H](F)CN)c1ccccc1 34a_100015665980_100000211855 [0,2,0,0,0,0|2,0,0]=4 32180 B14R1.163 CC(SCC(O)CO)c1ccccc1 62a_100000230085_100011219619 [0,2,0,0,0,0|1,0,0]=3 32181 B14R1.163 CC(SCC(O)CO)c1ccccc1 62a_100011219619_100000230085 [0,2,0,0,0,0|1,0,0]=3 32182 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000059175_100000230085 [0,2,0,0,0,0|1,0,0]=3 32183 B14R1.163 CC(SC[C@@H](C)CO)c1ccccc1 62a_100000230085_100000059175 [0,2,0,0,0,0|1,0,0]=3 32184 B14R1.163 CC(SC[C@@H](O)CF)c1ccccc1 62a_100000230085_100015614560 [0,2,0,0,0,0|2,0,0]=4 32185 B14R1.163 CC(SC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000230085 [0,2,0,0,0,0|2,0,0]=4 32186 B14R1.163 CC(SC[C@@H](O)CO)c1ccccc1 62a_100000230085_100009815848 [0,2,0,0,0,0|1,0,0]=3 32187 B14R1.163 CC(SC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000230085 [0,2,0,0,0,0|1,0,0]=3 32188 B14R1.163 CCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000210414_100000729684 [0,2,0,0,0,0|1,0,1]=4 32189 B14R1.163 CCC(C)CNC(C)c1ccccc1 2230a_100020588543_100000230085 [0,2,0,0,0,0|2,0,0]=4 32190 B14R1.163 CCC(C)CNC(C)c1ccccc1 269862a_100020588543_100000185851 [0,2,0,0,0,0|2,0,0]=4 32191 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748023 [0,2,0,0,0,0|2,0,0]=4 32192 B14R1.163 CCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243153 [0,2,0,0,0,0|2,0,0]=4 32193 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748023 [0,2,0,0,0,0|2,0,0]=4 32194 B14R1.163 CCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748023 [0,2,0,0,0,0|2,0,0]=4 32195 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000230085_100000748023 [0,2,0,0,0,0|2,0,0]=4 32196 B14R1.163 CCC(C)CSC(C)c1ccccc1 62a_100000748023_100000230085 [0,2,0,0,0,0|2,0,0]=4 32197 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000209981_100000756946 [0,2,0,0,0,0|2,0,0]=4 32198 B14R1.163 CCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000758301 [0,2,0,0,0,0|2,0,0]=4 32199 B14R1.163 CCC(C)NCC(C)c1ccccc1 270004a_100000209981_100000212034 [0,2,0,0,0,0|2,0,0]=4 32200 B14R1.163 CCC(C)NCC(C)c1ccccc1 34a_100000701038_100011215416 [0,2,0,0,0,0|2,0,0]=4 32201 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000209981_100000185958 [0,2,0,0,0,0|2,0,0]=4 32202 B14R1.163 CCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000758301 [0,2,0,0,0,0|2,0,0]=4 32203 B14R1.163 CCC(C)NC[C@@H](O)c1ccccc1 2230a_100000209981_100011933945 [0,2,0,0,0,0|2,0,0]=4 32204 B14R1.163 CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011215416 [0,2,0,0,0,0|2,0,0]=4 32205 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100000210228_100000756946 [0,2,0,0,0,0|2,0,0]=4 32206 B14R1.163 CCC(C)OCC(C)c1ccccc1 7a_100011215166_100000758301 [0,2,0,0,0,0|2,0,0]=4 32207 B14R1.163 CCC(C)OCC(O)c1ccccc1 7a_100000210228_100000185958 [0,2,0,0,0,0|2,0,0]=4 32208 B14R1.163 CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011215416 [0,2,0,0,0,0|2,0,0]=4 32209 B14R1.163 CCC(C)OC[C@@H](O)c1ccccc1 7a_100000210228_100011933945 [0,2,0,0,0,0|2,0,0]=4 32210 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000756946_100000758301 [0,2,0,0,0,0|2,0,0]=4 32211 B14R1.163 CCC(C)SCC(C)c1ccccc1 62a_100000758301_100000756946 [0,2,0,0,0,0|2,0,0]=4 32212 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000185958_100000758301 [0,2,0,0,0,0|2,0,0]=4 32213 B14R1.163 CCC(C)SCC(O)c1ccccc1 62a_100000758301_100000185958 [0,2,0,0,0,0|2,0,0]=4 32214 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100000758301_100011933945 [0,2,0,0,0,0|2,0,0]=4 32215 B14R1.163 CCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000758301 [0,2,0,0,0,0|2,0,0]=4 32216 B14R1.163 CCC(O)CNC(C)c1ccccc1 2230a_100011218483_100000230085 [0,2,0,0,0,0|2,0,0]=4 32217 B14R1.163 CCC(O)CNC(C)c1ccccc1 269862a_100011218483_100000185851 [0,2,0,0,0,0|2,0,0]=4 32218 B14R1.163 CCC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218378 [0,2,0,0,0,0|2,0,0]=4 32219 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218378 [0,2,0,0,0,0|2,0,0]=4 32220 B14R1.163 CCC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218378 [0,2,0,0,0,0|2,0,0]=4 32221 B14R1.163 CCC(O)CSC(C)c1ccccc1 62a_100000230085_100011218378 [0,2,0,0,0,0|2,0,0]=4 32222 B14R1.163 CCC(O)CSC(C)c1ccccc1 62a_100011218378_100000230085 [0,2,0,0,0,0|2,0,0]=4 32223 B14R1.163 CCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210202 [0,2,0,0,0,0|2,0,0]=4 32224 B14R1.163 CCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000204670 [0,2,0,0,0,0|2,0,0]=4 32225 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 2230a_100000225621_100000729684 [0,2,0,0,0,0|2,0,0]=4 32226 B14R1.163 CCN(C)CC[C@@H](O)c1ccccc1 269982a_100000225621_100000729684 [0,2,0,0,0,0|2,0,0]=4 32227 B14R1.163 CC[C@H](C)CN[C@H](C)c1ccccc1 2230a_100000751104_100009816398 [0,2,0,0,0,0|2,0,0]=4 32228 B14R1.163 CC[C@H](C)COC(C)c1ccccc1 7a_100009816381_100000230085 [0,2,0,0,0,0|2,0,0]=4 32229 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 34a_100000761318_100009816398 [0,2,0,0,0,0|2,0,0]=4 32230 B14R1.163 CC[C@H](C)CO[C@H](C)c1ccccc1 7a_100000761318_100009816398 [0,2,0,0,0,0|2,0,0]=4 32231 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100000230085_100009816398 [0,2,0,0,0,0|2,0,0]=4 32232 B14R1.163 CC[C@H](C)CSC(C)c1ccccc1 62a_100009816398_100000230085 [0,2,0,0,0,0|2,0,0]=4 32233 B14R1.163 CN(CF)CCC(O)c1ccccc1 269982a_100011218556_100015361967 [0,2,0,0,0,0|2,0,0]=4 32234 B14R1.163 C[C@@H](CO)CN[C@H](C)c1ccccc1 2230a_100000751104_100000059175 [0,2,0,0,0,0|1,0,0]=3 32235 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 34a_100000761318_100000059175 [0,2,0,0,0,0|1,0,0]=3 32236 B14R1.163 C[C@@H](CO)CO[C@H](C)c1ccccc1 7a_100000761318_100000059175 [0,2,0,0,0,0|1,0,0]=3 32237 B14R1.163 C[C@@H](NCC(O)CO)c1ccccc1 2230a_100000751104_100011219619 [0,2,0,0,0,0|1,0,0]=3 32238 B14R1.163 C[C@@H](NC[C@@H](O)CF)c1ccccc1 2230a_100000751104_100015614560 [0,2,0,0,0,0|2,0,0]=4 32239 B14R1.163 C[C@@H](NC[C@@H](O)CO)c1ccccc1 2230a_100000751104_100009815848 [0,2,0,0,0,0|1,0,0]=3 32240 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 34a_100000761318_100011219619 [0,2,0,0,0,0|1,0,0]=3 32241 B14R1.163 C[C@@H](OCC(O)CO)c1ccccc1 7a_100000761318_100011219619 [0,2,0,0,0,0|1,0,0]=3 32242 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 34a_100000761318_100015614560 [0,2,0,0,0,0|2,0,0]=4 32243 B14R1.163 C[C@@H](OC[C@@H](O)CF)c1ccccc1 7a_100000761318_100015614560 [0,2,0,0,0,0|2,0,0]=4 32244 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 34a_100000761318_100009815848 [0,2,0,0,0,0|1,0,0]=3 32245 B14R1.163 C[C@@H](OC[C@@H](O)CO)c1ccccc1 7a_100000761318_100009815848 [0,2,0,0,0,0|1,0,0]=3 32246 B14R1.163 C[C@H](CO)NCC(O)c1ccccc1 2230a_100000737577_100000185958 [0,2,0,0,0,0|1,0,0]=3 32247 B14R1.163 C[C@H](CO)NC[C@@H](O)c1ccccc1 2230a_100000737577_100011933945 [0,2,0,0,0,0|1,0,0]=3 32248 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100000211460_100016084084 [0,2,0,0,0,0|1,0,1]=4 32249 B14R1.163 C[C@H](CO)SCC(=O)c1ccccc1 62a_100016084084_100000211460 [0,2,0,0,0,0|1,0,1]=4 32250 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100000185958_100016084084 [0,2,0,0,0,0|1,0,0]=3 32251 B14R1.163 C[C@H](CO)SCC(O)c1ccccc1 62a_100016084084_100000185958 [0,2,0,0,0,0|1,0,0]=3 32252 B14R1.163 C[C@H](CO)SCS(=O)c1ccccc1 62a_100016084084_100000031784 [0,2,0,0,0,0|2,0,0]=4 32253 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100011933945_100016084084 [0,2,0,0,0,0|1,0,0]=3 32254 B14R1.163 C[C@H](CO)SC[C@@H](O)c1ccccc1 62a_100016084084_100011933945 [0,2,0,0,0,0|1,0,0]=3 32255 B14R1.163 O=C(CO)CCC(=O)c1ccccc1 1458a_100000210174_100000750707 [0,2,0,0,0,0|0,0,2]=4 32256 B14R1.163 O=C(CO)CC[C@@H](O)c1ccccc1 1458a_100000210174_100000729684 [0,2,0,0,0,0|0,0,1]=3 32257 B14R1.163 O=C(CO)NCC(O)c1ccccc1 240690a_100000210709_100000210174 [0,2,0,0,0,0|1,0,1]=4 32258 B14R1.163 O=C(CO)NCC(O)c1ccccc1 527a_100000210709_100000210174 [0,2,0,0,0,0|1,0,1]=4 32259 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 240690a_100015665980_100000185807 [0,2,0,0,0,0|1,0,1]=4 32260 B14R1.163 O=C(NC[C@@H](F)CO)c1ccccc1 527a_100015665980_100000185807 [0,2,0,0,0,0|1,0,1]=4 32261 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 240690a_100020644852_100000185807 [0,2,0,0,0,0|1,0,1]=4 32262 B14R1.163 O=C(NC[C@H](O)CO)c1ccccc1 527a_100020644852_100000185807 [0,2,0,0,0,0|1,0,1]=4 32263 B14R1.166 C=C(C(=O)CCCO)c1ccccc1 1458a_100000065200_100011215043 [0,2,0,0,0,0|0,0,2]=4 32264 B14R1.166 CC(C(=O)CCCO)c1ccccn1 1458a_100000722050_100011215043 [0,2,0,0,0,0|1,0,1]=4 32265 B14R1.166 CC(NCCO)C(=O)c1ccccc1 2230a_100016997473_100000239700 [0,2,0,0,0,0|1,0,1]=4 32266 B14R1.166 CC(SCCO)C(=O)c1ccccc1 62a_100000211926_100000239700 [0,2,0,0,0,0|1,0,1]=4 32267 B14R1.166 CC(SCCO)C(=O)c1ccccc1 62a_100000239700_100000211926 [0,2,0,0,0,0|1,0,1]=4 32268 B14R1.166 CC(c1ccccc1)N(C)CCCF 2230a_100000195388_100011934791 [0,2,0,0,0,0|2,0,0]=4 32269 B14R1.166 CC(c1ccccc1)N(C)CCCF 269982a_100000195388_100011934791 [0,2,0,0,0,0|2,0,0]=4 32270 B14R1.166 CC(c1ccccc1)N(C)CCCO 2230a_100000185500_200000210301 [0,2,0,0,0,0|1,0,0]=3 32271 B14R1.166 CC(c1ccccc1)N(C)CCCO 2230a_100000195388_100000230001 [0,2,0,0,0,0|1,0,0]=3 32272 B14R1.166 CC(c1ccccc1)N(C)CCCO 2230a_100000213112_100000230085 [0,2,0,0,0,0|1,0,0]=3 32273 B14R1.166 CC(c1ccccc1)N(C)CCCO 269982a_100000185500_200000210301 [0,2,0,0,0,0|1,0,0]=3 32274 B14R1.166 CC(c1ccccc1)N(C)CCCO 269982a_100000195388_100011215043 [0,2,0,0,0,0|1,0,0]=3 32275 B14R1.166 CC(c1ccccc1)N(C)CCCO 269982a_100000213112_100000230085 [0,2,0,0,0,0|1,0,0]=3 32276 B14R1.166 CC(c1ccccc1)N([13CH3])CCCO 2230a_100000185500_200025704644 [0,2,0,0,0,0|1,0,0]=3 32277 B14R1.166 CC(c1ccccc1)N([13CH3])CCCO 269982a_100000185500_200025704644 [0,2,0,0,0,0|1,0,0]=3 32278 B14R1.166 CC(c1ccccn1)N(C)CCCO 2230a_100000231138_100000230001 [0,2,0,0,0,0|2,0,0]=4 32279 B14R1.166 CC(c1ccccn1)N(C)CCCO 269982a_100000231138_100011215043 [0,2,0,0,0,0|2,0,0]=4 32280 B14R1.166 CC(c1cccnc1)N(C)CCCO 2230a_100000232774_100000230001 [0,2,0,0,0,0|2,0,0]=4 32281 B14R1.166 CC(c1cccnc1)N(C)CCCO 269982a_100000232774_100011215043 [0,2,0,0,0,0|2,0,0]=4 32282 B14R1.166 CC(c1ccncc1)N(C)CCCO 2230a_100000231139_100000230001 [0,2,0,0,0,0|2,0,0]=4 32283 B14R1.166 CC(c1ccncc1)N(C)CCCO 269982a_100000231139_100011215043 [0,2,0,0,0,0|2,0,0]=4 32284 B14R1.166 CCCCC(=O)C(C)c1ccccc1 1458a_100000210183_100000230085 [0,2,0,0,0,0|1,0,1]=4 32285 B14R1.166 CCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210211 [0,2,0,0,0,0|1,0,1]=4 32286 B14R1.166 CCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210211 [0,2,0,0,0,0|1,0,1]=4 32287 B14R1.166 CCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210211 [0,2,0,0,0,0|1,0,1]=4 32288 B14R1.166 CCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011215066 [0,2,0,0,0,0|1,0,1]=4 32289 B14R1.166 CCCCC(C)N(C)c1ccccc1 2230a_100000210012_200011215066 [0,2,0,0,0,0|2,0,0]=4 32290 B14R1.166 CCCCC(C)N(C)c1ccccc1 269982a_100000210012_200011215066 [0,2,0,0,0,0|2,0,0]=4 32291 B14R1.166 CCCCC(C)N(C)c1ccccc1 34a_100000210012_200011215066 [0,2,0,0,0,0|2,0,0]=4 32292 B14R1.166 CCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210211 [0,2,0,0,0,0|2,0,0]=4 32293 B14R1.166 CCCCN(C)C(C)c1ccccc1 2230a_100000207549_100000230085 [0,2,0,0,0,0|2,0,0]=4 32294 B14R1.166 CCCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210211 [0,2,0,0,0,0|2,0,0]=4 32295 B14R1.166 CCCCN(C)C(C)c1ccccc1 269982a_100000207549_100000230085 [0,2,0,0,0,0|2,0,0]=4 32296 B14R1.166 CCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210303 [0,2,0,0,0,0|2,0,0]=4 32297 B14R1.166 CN(CCCO)C(=O)c1ccccc1 240690a_100000213112_100000185807 [0,2,0,0,0,0|1,0,1]=4 32298 B14R1.166 CN(CCCO)C(=O)c1ccccc1 527a_100000213112_100000185807 [0,2,0,0,0,0|1,0,1]=4 32299 B14R1.166 C[C@H](C(=O)CCCF)c1ccccc1 1458a_100000751047_100011934791 [0,2,0,0,0,0|1,0,1]=4 32300 B14R1.166 C[C@H](C(=O)CCCO)c1ccccc1 1458a_100000751047_100011215043 [0,2,0,0,0,0|0,0,1]=3 32301 B14R1.166 C[C@H](C(=O)NCCO)c1ccccc1 240690a_100000210304_100000751047 [0,2,0,0,0,0|1,0,1]=4 32302 B14R1.166 C[C@H](C(=O)NCCO)c1ccccc1 527a_100000210304_100000751047 [0,2,0,0,0,0|1,0,1]=4 32303 B14R1.166 C[C@H](OCCF)[C@@H](N)c1ccccc1 34a_100134616770_100011217306 [0,2,0,0,0,0|2,0,0]=4 32304 B14R1.166 C[C@H](OCCO)[C@@H](N)c1ccccc1 34a_100134616770_100000211926 [0,2,0,0,0,0|1,0,0]=3 32305 B14R1.166 O=C(CCCF)C(F)c1ccccc1 1458a_100000698975_100011934791 [0,2,0,0,0,0|1,0,1]=4 32306 B14R1.166 O=C(CCCF)[C@H](O)c1ccccc1 1458a_100000684486_100011934791 [0,2,0,0,0,0|1,0,1]=4 32307 B14R1.166 O=C(CCCO)C(F)c1ccccc1 1458a_100000698975_100011215043 [0,2,0,0,0,0|0,0,1]=3 32308 B14R1.166 O=C(CCCO)[C@H](O)c1ccccc1 1458a_100000684486_100011215043 [0,2,0,0,0,0|0,0,1]=3 32309 B14R1.166 O=C(NCCO)C(F)c1ccccc1 240690a_100000210304_100000698975 [0,2,0,0,0,0|1,0,1]=4 32310 B14R1.166 O=C(NCCO)C(F)c1ccccc1 527a_100000210304_100000698975 [0,2,0,0,0,0|1,0,1]=4 32311 B14R1.166 O=C(NCCO)[C@H](O)c1ccccc1 240690a_100000210304_100000684486 [0,2,0,0,0,0|1,0,1]=4 32312 B14R1.420 CC(Br)CCOC(C)c1ccccc1 34a_100009893172_100000211855 [0,2,0,0,0,0|2,0,0]=4 32313 B14R1.420 CC(Br)COCC(C)c1ccccc1 34a_100012180447_100000756946 [0,2,0,0,0,0|2,0,0]=4 32314 B14R1.420 CC(Br)COCC(O)c1ccccc1 34a_100012180447_100000185958 [0,2,0,0,0,0|2,0,0]=4 32315 B14R1.420 CC(Br)COC[C@@H](O)c1ccccc1 34a_100012180447_100011933945 [0,2,0,0,0,0|2,0,0]=4 32316 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [0,2,0,0,0,0|1,0,1]=4 32317 B14R1.420 CC(C)CCCN(C)c1ccccc1 2230a_100000210012_100011214892 [0,2,0,0,0,0|2,0,0]=4 32318 B14R1.420 CC(C)CCCN(C)c1ccccc1 269982a_100000210012_100011214892 [0,2,0,0,0,0|2,0,0]=4 32319 B14R1.420 CC(C)CCCN(C)c1ccccc1 34a_100000210012_100011214892 [0,2,0,0,0,0|2,0,0]=4 32320 B14R1.420 CC(C)CCNC(C)c1ccccc1 269862a_100000210545_100000185851 [0,2,0,0,0,0|2,0,0]=4 32321 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210312 [0,2,0,0,0,0|2,0,0]=4 32322 B14R1.420 CC(C)CCN[C@H](C)c1ccccc1 269862a_100000751104_100000185833 [0,2,0,0,0,0|2,0,0]=4 32323 B14R1.420 CC(C)CCOC(C)c1ccccc1 34a_100000210254_100000211855 [0,2,0,0,0,0|2,0,0]=4 32324 B14R1.420 CC(C)CCOC(C)c1ccccc1 7a_100000210254_100000230085 [0,2,0,0,0,0|2,0,0]=4 32325 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 34a_100000761318_100000210312 [0,2,0,0,0,0|2,0,0]=4 32326 B14R1.420 CC(C)CCO[C@H](C)c1ccccc1 7a_100000761318_100000210626 [0,2,0,0,0,0|2,0,0]=4 32327 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000210312_100000230085 [0,2,0,0,0,0|2,0,0]=4 32328 B14R1.420 CC(C)CCSC(C)c1ccccc1 62a_100000230085_100000210312 [0,2,0,0,0,0|2,0,0]=4 32329 B14R1.420 CC(C)CNCC(C)c1ccccc1 2230a_100000210953_100000756946 [0,2,0,0,0,0|2,0,0]=4 32330 B14R1.420 CC(C)CNCC(C)c1ccccc1 2230a_100000701038_100000210760 [0,2,0,0,0,0|2,0,0]=4 32331 B14R1.420 CC(C)CNCC(C)c1ccccc1 270004a_100000210953_100000212034 [0,2,0,0,0,0|2,0,0]=4 32332 B14R1.420 CC(C)CNCC(C)c1ccccc1 270004a_100000701038_100000210432 [0,2,0,0,0,0|2,0,0]=4 32333 B14R1.420 CC(C)CNCC(C)c1ccccc1 34a_100000210953_100000756946 [0,2,0,0,0,0|2,0,0]=4 32334 B14R1.420 CC(C)CNCC(C)c1ccccc1 34a_100000701038_100000210624 [0,2,0,0,0,0|2,0,0]=4 32335 B14R1.420 CC(C)CNCC(O)c1ccccc1 2230a_100000210709_100000210760 [0,2,0,0,0,0|2,0,0]=4 32336 B14R1.420 CC(C)CNCC(O)c1ccccc1 2230a_100000210953_100000185958 [0,2,0,0,0,0|2,0,0]=4 32337 B14R1.420 CC(C)CNCC(O)c1ccccc1 270004a_100000210709_100000210432 [0,2,0,0,0,0|2,0,0]=4 32338 B14R1.420 CC(C)CNCC(O)c1ccccc1 34a_100000210953_100000185958 [0,2,0,0,0,0|2,0,0]=4 32339 B14R1.420 CC(C)CNC[C@@H](O)c1ccccc1 2230a_100000210953_100011933945 [0,2,0,0,0,0|2,0,0]=4 32340 B14R1.420 CC(C)CNC[C@@H](O)c1ccccc1 34a_100000210953_100011933945 [0,2,0,0,0,0|2,0,0]=4 32341 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100000210257_100000756946 [0,2,0,0,0,0|2,0,0]=4 32342 B14R1.420 CC(C)COCC(C)c1ccccc1 34a_100011215166_100000210624 [0,2,0,0,0,0|2,0,0]=4 32343 B14R1.420 CC(C)COCC(C)c1ccccc1 7a_100011215166_100000210760 [0,2,0,0,0,0|2,0,0]=4 32344 B14R1.420 CC(C)COCC(O)c1ccccc1 34a_100000210257_100000185958 [0,2,0,0,0,0|2,0,0]=4 32345 B14R1.420 CC(C)COC[C@@H](N)c1ccccc1 34a_100000751927_100000210624 [0,2,0,0,0,0|2,0,0]=4 32346 B14R1.420 CC(C)COC[C@@H](O)c1ccccc1 34a_100000210257_100011933945 [0,2,0,0,0,0|2,0,0]=4 32347 B14R1.420 CC(C)CSCC(C)c1ccccc1 62a_100000210624_100000756946 [0,2,0,0,0,0|2,0,0]=4 32348 B14R1.420 CC(C)CSCC(C)c1ccccc1 62a_100000756946_100000210760 [0,2,0,0,0,0|2,0,0]=4 32349 B14R1.420 CC(C)CSCC(O)c1ccccc1 62a_100000185958_100000210760 [0,2,0,0,0,0|2,0,0]=4 32350 B14R1.420 CC(C)CSCC(O)c1ccccc1 62a_100000210624_100000185958 [0,2,0,0,0,0|2,0,0]=4 32351 B14R1.420 CC(C)CSC[C@@H](O)c1ccccc1 62a_100000210624_100011933945 [0,2,0,0,0,0|2,0,0]=4 32352 B14R1.420 CC(C)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000210760 [0,2,0,0,0,0|2,0,0]=4 32353 B14R1.420 CC(C)NCCC(O)c1ccccc1 2230a_100000763605_100000210206 [0,2,0,0,0,0|2,0,0]=4 32354 B14R1.420 CC(C)NCC[C@@H](O)c1ccccc1 2230a_100138425928_100000729684 [0,2,0,0,0,0|2,0,0]=4 32355 B14R1.420 CC(C)NCC[C@@H](O)c1ccccc1 34a_100138425928_100000729684 [0,2,0,0,0,0|2,0,0]=4 32356 B14R1.420 CC(C)OCC[C@@H](O)c1ccccc1 34a_100000212225_100000729684 [0,2,0,0,0,0|2,0,0]=4 32357 B14R1.420 CC(C)OCC[C@H](N)c1ccccc1 34a_100025705951_100000210206 [0,2,0,0,0,0|2,0,0]=4 32358 B14R1.420 CC(C)SCC[C@@H](O)c1ccccc1 62a_100000210206_100000729684 [0,2,0,0,0,0|2,0,0]=4 32359 B14R1.420 CC(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_100000210206 [0,2,0,0,0,0|2,0,0]=4 32360 B14R1.420 CC(CNCC(=O)O)c1ccccc1 269956a_100016091260_100000756946 [0,2,0,0,0,0|1,0,1]=4 32361 B14R1.420 CC(CNCC(F)F)c1ccccc1 2230a_100000701038_100011934356 [0,2,0,0,0,0|2,0,0]=4 32362 B14R1.420 CC(CNCC(F)F)c1ccccc1 270004a_100000765723_100000212034 [0,2,0,0,0,0|2,0,0]=4 32363 B14R1.420 CC(CNCC(F)F)c1ccccc1 34a_100000701038_100011934356 [0,2,0,0,0,0|2,0,0]=4 32364 B14R1.420 CC(CNCC(F)F)c1ccccc1 34a_100000765723_100000756946 [0,2,0,0,0,0|2,0,0]=4 32365 B14R1.420 CC(CNC[C@@H](C)O)c1ccccc1 2230a_100000701038_100009817552 [0,2,0,0,0,0|1,0,0]=3 32366 B14R1.420 CC(CNC[C@@H](C)O)c1ccccc1 34a_100000701038_100009817552 [0,2,0,0,0,0|1,0,0]=3 32367 B14R1.420 CC(COCC(F)F)c1ccccc1 34a_100000743014_100000756946 [0,2,0,0,0,0|2,0,0]=4 32368 B14R1.420 CC(COCC(F)F)c1ccccc1 34a_100011215166_100011934356 [0,2,0,0,0,0|2,0,0]=4 32369 B14R1.420 CC(COCC(F)F)c1ccccc1 7a_100011215166_100011934356 [0,2,0,0,0,0|2,0,0]=4 32370 B14R1.420 CC(COC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000756946 [0,2,0,0,0,0|2,0,0]=4 32371 B14R1.420 CC(COC[C@@H](C)N)c1ccccc1 34a_100000737577_100000756946 [0,2,0,0,0,0|2,0,0]=4 32372 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 34a_100011215166_100009817552 [0,2,0,0,0,0|1,0,0]=3 32373 B14R1.420 CC(COC[C@@H](C)O)c1ccccc1 7a_100011215166_100009817552 [0,2,0,0,0,0|1,0,0]=3 32374 B14R1.420 CC(CSCC(F)F)c1ccccc1 62a_100000756946_100011934356 [0,2,0,0,0,0|2,0,0]=4 32375 B14R1.420 CC(CSCC(F)F)c1ccccc1 62a_100011934356_100000756946 [0,2,0,0,0,0|2,0,0]=4 32376 B14R1.420 CC(CSC[C@@H](C)O)c1ccccc1 62a_100000756946_100009817552 [0,2,0,0,0,0|1,0,0]=3 32377 B14R1.420 CC(CSC[C@@H](C)O)c1ccccc1 62a_100009817552_100000756946 [0,2,0,0,0,0|1,0,0]=3 32378 B14R1.420 CC(F)COCC(C)c1ccccc1 34a_100015925927_100000756946 [0,2,0,0,0,0|2,0,0]=4 32379 B14R1.420 CC(F)COCC(O)c1ccccc1 34a_100015925927_100000185958 [0,2,0,0,0,0|2,0,0]=4 32380 B14R1.420 CC(F)COC[C@@H](O)c1ccccc1 34a_100015925927_100011933945 [0,2,0,0,0,0|2,0,0]=4 32381 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [0,2,0,0,0,0|0,0,1]=3 32382 B14R1.420 CC(O)CCCN(C)c1ccccc1 2230a_100000210012_200000718107 [0,2,0,0,0,0|1,0,0]=3 32383 B14R1.420 CC(O)CCCN(C)c1ccccc1 269982a_100000210012_200000718107 [0,2,0,0,0,0|1,0,0]=3 32384 B14R1.420 CC(O)CCCN(C)c1ccccc1 34a_100000210012_200000718107 [0,2,0,0,0,0|1,0,0]=3 32385 B14R1.420 CC(O)CCNC(=O)c1ccccc1 240690a_200000755665_100000185807 [0,2,0,0,0,0|1,0,1]=4 32386 B14R1.420 CC(O)CCNC(=O)c1ccccc1 527a_200000755665_100000185807 [0,2,0,0,0,0|1,0,1]=4 32387 B14R1.420 CC(O)CCNC(C)c1ccccc1 2230a_200000755665_100000230085 [0,2,0,0,0,0|1,0,0]=3 32388 B14R1.420 CC(O)CCNC(C)c1ccccc1 269862a_200000755665_100000185851 [0,2,0,0,0,0|1,0,0]=3 32389 B14R1.420 CC(O)CCNC(C)c1ccccn1 2230a_100000181244_100012276601 [0,2,0,0,0,0|2,0,0]=4 32390 B14R1.420 CC(O)CCNC(C)c1ccccn1 269862a_200000755665_100000210467 [0,2,0,0,0,0|2,0,0]=4 32391 B14R1.420 CC(O)CCNC(C)c1cccnc1 2230a_100000195435_100012276601 [0,2,0,0,0,0|2,0,0]=4 32392 B14R1.420 CC(O)CCNC(C)c1cccnc1 269862a_200000755665_100000210468 [0,2,0,0,0,0|2,0,0]=4 32393 B14R1.420 CC(O)CCNC(C)c1ccncc1 2230a_100000181269_100012276601 [0,2,0,0,0,0|2,0,0]=4 32394 B14R1.420 CC(O)CCNC(C)c1ccncc1 269862a_200000755665_100000185792 [0,2,0,0,0,0|2,0,0]=4 32395 B14R1.420 CC(O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100012276601 [0,2,0,0,0,0|1,0,0]=3 32396 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 34a_100000761318_100012276601 [0,2,0,0,0,0|1,0,0]=3 32397 B14R1.420 CC(O)CCO[C@H](C)c1ccccc1 7a_100000761318_100012276601 [0,2,0,0,0,0|1,0,0]=3 32398 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100000230085_100012276601 [0,2,0,0,0,0|1,0,0]=3 32399 B14R1.420 CC(O)CCSC(C)c1ccccc1 62a_100012276601_100000230085 [0,2,0,0,0,0|1,0,0]=3 32400 B14R1.420 CC(O)CNCC(C)c1ccccc1 2230a_100000210904_100000756946 [0,2,0,0,0,0|1,0,0]=3 32401 B14R1.420 CC(O)CNCC(C)c1ccccc1 2230a_100000701038_100011218427 [0,2,0,0,0,0|1,0,0]=3 32402 B14R1.420 CC(O)CNCC(C)c1ccccc1 270004a_100000210904_100000212034 [0,2,0,0,0,0|1,0,0]=3 32403 B14R1.420 CC(O)CNCC(C)c1ccccc1 34a_100000210904_100000756946 [0,2,0,0,0,0|1,0,0]=3 32404 B14R1.420 CC(O)CNCC(C)c1ccccc1 34a_100000701038_100011218427 [0,2,0,0,0,0|1,0,0]=3 32405 B14R1.420 CC(O)CNCC(O)c1ccccc1 2230a_100000210709_100011218427 [0,2,0,0,0,0|1,0,0]=3 32406 B14R1.420 CC(O)CNCC(O)c1ccccc1 2230a_100000210904_100000185958 [0,2,0,0,0,0|1,0,0]=3 32407 B14R1.420 CC(O)CNCC(O)c1ccccc1 34a_100000210904_100000185958 [0,2,0,0,0,0|1,0,0]=3 32408 B14R1.420 CC(O)CNCC(O)c1ccccn1 2230a_100000691469_100011218427 [0,2,0,0,0,0|2,0,0]=4 32409 B14R1.420 CC(O)CNCC(O)c1cccnc1 2230a_100020605170_100011218427 [0,2,0,0,0,0|2,0,0]=4 32410 B14R1.420 CC(O)CNC[C@@H](O)c1ccccc1 2230a_100000210904_100011933945 [0,2,0,0,0,0|1,0,0]=3 32411 B14R1.420 CC(O)CNC[C@@H](O)c1ccccc1 34a_100000210904_100011933945 [0,2,0,0,0,0|1,0,0]=3 32412 B14R1.420 CC(O)COCC(C)c1ccccc1 34a_100011215166_100011218427 [0,2,0,0,0,0|1,0,0]=3 32413 B14R1.420 CC(O)COCC(C)c1ccccc1 7a_100011215166_100011218427 [0,2,0,0,0,0|1,0,0]=3 32414 B14R1.420 CC(O)COC[C@@H](N)c1ccccc1 34a_100000751927_100011218427 [0,2,0,0,0,0|1,0,0]=3 32415 B14R1.420 CC(O)COC[C@@H](N)c1ccncc1 34a_100138412524_100011218427 [0,2,0,0,0,0|2,0,0]=4 32416 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218427 [0,2,0,0,0,0|1,0,1]=4 32417 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100011218427_100000211460 [0,2,0,0,0,0|1,0,1]=4 32418 B14R1.420 CC(O)CSCC(C)c1ccccc1 62a_100000756946_100011218427 [0,2,0,0,0,0|1,0,0]=3 32419 B14R1.420 CC(O)CSCC(C)c1ccccc1 62a_100011218427_100000756946 [0,2,0,0,0,0|1,0,0]=3 32420 B14R1.420 CC(O)CSCC(O)c1ccccc1 62a_100000185958_100011218427 [0,2,0,0,0,0|1,0,0]=3 32421 B14R1.420 CC(O)CSCC(O)c1ccccc1 62a_100011218427_100000185958 [0,2,0,0,0,0|1,0,0]=3 32422 B14R1.420 CC(O)CSCS(=O)c1ccccc1 62a_100011218427_100000031784 [0,2,0,0,0,0|2,0,0]=4 32423 B14R1.420 CC(O)CSC[C@@H](O)c1ccccc1 62a_100011218427_100011933945 [0,2,0,0,0,0|1,0,0]=3 32424 B14R1.420 CC(O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100011218427 [0,2,0,0,0,0|1,0,0]=3 32425 B14R1.420 CC(OCCC(F)F)c1ccccc1 34a_100103093639_100000211855 [0,2,0,0,0,0|2,0,0]=4 32426 B14R1.420 CC(OCC[C@@H](C)N)c1ccccc1 34a_100000706166_100000211855 [0,2,0,0,0,0|2,0,0]=4 32427 B14R1.420 C[C@@H](Cl)COCC(O)c1ccccc1 34a_100016084084_100000185958 [0,2,0,0,0,0|2,0,0]=4 32428 B14R1.420 C[C@@H](Cl)COC[C@@H](O)c1ccccc1 34a_100016084084_100011933945 [0,2,0,0,0,0|2,0,0]=4 32429 B14R1.420 C[C@@H](N)COCC(O)c1ccccc1 34a_100000737577_100000185958 [0,2,0,0,0,0|2,0,0]=4 32430 B14R1.420 C[C@@H](N)COC[C@@H](O)c1ccccc1 34a_100000737577_100011933945 [0,2,0,0,0,0|2,0,0]=4 32431 B14R1.420 C[C@@H](O)CNCC(O)c1ccccc1 2230a_100000210709_100009817552 [0,2,0,0,0,0|1,0,0]=3 32432 B14R1.420 C[C@@H](O)CNCC(O)c1ccccn1 2230a_100000691469_100009817552 [0,2,0,0,0,0|2,0,0]=4 32433 B14R1.420 C[C@@H](O)CNCC(O)c1cccnc1 2230a_100020605170_100009817552 [0,2,0,0,0,0|2,0,0]=4 32434 B14R1.420 C[C@@H](O)COC[C@@H](N)c1ccccc1 34a_100000751927_100009817552 [0,2,0,0,0,0|1,0,0]=3 32435 B14R1.420 C[C@@H](O)COC[C@@H](N)c1ccncc1 34a_100138412524_100009817552 [0,2,0,0,0,0|2,0,0]=4 32436 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100000211460_100009817552 [0,2,0,0,0,0|1,0,1]=4 32437 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100009817552_100000211460 [0,2,0,0,0,0|1,0,1]=4 32438 B14R1.420 C[C@@H](O)CSCC(O)c1ccccc1 62a_100000185958_100009817552 [0,2,0,0,0,0|1,0,0]=3 32439 B14R1.420 C[C@@H](O)CSCC(O)c1ccccc1 62a_100009817552_100000185958 [0,2,0,0,0,0|1,0,0]=3 32440 B14R1.420 C[C@@H](O)CSCS(=O)c1ccccc1 62a_100009817552_100000031784 [0,2,0,0,0,0|2,0,0]=4 32441 B14R1.420 C[C@@H](O)CSC[C@@H](O)c1ccccc1 62a_100009817552_100011933945 [0,2,0,0,0,0|1,0,0]=3 32442 B14R1.420 C[C@@H](O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100009817552 [0,2,0,0,0,0|1,0,0]=3 32443 B14R1.420 N[C@H](COCC(F)F)c1ccccc1 34a_100000751927_100011934356 [0,2,0,0,0,0|2,0,0]=4 32444 B14R1.420 O=C(O)CNCC(O)c1ccccc1 269956a_100016091260_100000185958 [0,2,0,0,0,0|1,0,1]=4 32445 B14R1.420 O=C(O)CNC[C@@H](O)c1ccccc1 269956a_100016091260_100011933945 [0,2,0,0,0,0|1,0,1]=4 32446 B14R1.420 OC(CNCC(F)F)c1ccccc1 2230a_100000210709_100011934356 [0,2,0,0,0,0|2,0,0]=4 32447 B14R1.420 OC(CNCC(F)F)c1ccccc1 34a_100000765723_100000185958 [0,2,0,0,0,0|2,0,0]=4 32448 B14R1.420 OC(COCC(F)F)c1ccccc1 34a_100000743014_100000185958 [0,2,0,0,0,0|2,0,0]=4 32449 B14R1.420 OC(CSCC(F)F)c1ccccc1 62a_100000185958_100011934356 [0,2,0,0,0,0|2,0,0]=4 32450 B14R1.420 OC(CSCC(F)F)c1ccccc1 62a_100011934356_100000185958 [0,2,0,0,0,0|2,0,0]=4 32451 B14R1.420 O[C@H](CNCC(F)F)c1ccccc1 34a_100000765723_100011933945 [0,2,0,0,0,0|2,0,0]=4 32452 B14R1.420 O[C@H](COCC(F)F)c1ccccc1 34a_100000743014_100011933945 [0,2,0,0,0,0|2,0,0]=4 32453 B14R1.420 O[C@H](CSCC(F)F)c1ccccc1 62a_100011933945_100011934356 [0,2,0,0,0,0|2,0,0]=4 32454 B14R1.420 O[C@H](CSCC(F)F)c1ccccc1 62a_100011934356_100011933945 [0,2,0,0,0,0|2,0,0]=4 32455 B14R1.1035 CC(NCCCF)c1ccccc1Br 2230a_100000181357_100011934791 [0,2,0,0,0,0|2,0,0]=4 32456 B14R1.1035 CC(NCCCF)c1ccccc1Br 269862a_100015189416_100000187085 [0,2,0,0,0,0|2,0,0]=4 32457 B14R1.1035 CC(NCCCF)c1ccccc1Cl 2230a_100000174978_100011934791 [0,2,0,0,0,0|2,0,0]=4 32458 B14R1.1035 CC(NCCCF)c1ccccc1Cl 2230a_100015189416_100000181259 [0,2,0,0,0,0|2,0,0]=4 32459 B14R1.1035 CC(NCCCF)c1ccccc1Cl 269862a_100015189416_100000210134 [0,2,0,0,0,0|2,0,0]=4 32460 B14R1.1035 CC(NCCCF)c1ccccc1Cl 34a_100000174978_100011934791 [0,2,0,0,0,0|2,0,0]=4 32461 B14R1.1035 CC(NCCCF)c1ccccc1F 2230a_100000181408_100011934791 [0,2,0,0,0,0|2,0,0]=4 32462 B14R1.1035 CC(NCCCF)c1ccccc1F 2230a_100015189416_200000741388 [0,2,0,0,0,0|2,0,0]=4 32463 B14R1.1035 CC(NCCCF)c1ccccc1F 269862a_100015189416_100000210632 [0,2,0,0,0,0|2,0,0]=4 32464 B14R1.1035 CC(NCCCF)c1ccccc1F 34a_100000181408_100011934791 [0,2,0,0,0,0|2,0,0]=4 32465 B14R1.1035 CC(NCCCF)c1ccccc1F 34a_100015189416_200000741388 [0,2,0,0,0,0|2,0,0]=4 32466 B14R1.1035 CC(NCCCF)c1ccccc1I 269862a_100015189416_100000751169 [0,2,0,0,0,0|2,0,0]=4 32467 B14R1.1035 CC(NCCCO)c1ccccc1Br 2230a_100000181357_100000230001 [0,2,0,0,0,0|1,0,0]=3 32468 B14R1.1035 CC(NCCCO)c1ccccc1Br 269862a_100000182051_100000187085 [0,2,0,0,0,0|1,0,0]=3 32469 B14R1.1035 CC(NCCCO)c1ccccc1Cl 2230a_100000174978_100000230001 [0,2,0,0,0,0|1,0,0]=3 32470 B14R1.1035 CC(NCCCO)c1ccccc1Cl 269862a_100000182051_100000210134 [0,2,0,0,0,0|1,0,0]=3 32471 B14R1.1035 CC(NCCCO)c1ccccc1Cl 34a_100000174978_100000230001 [0,2,0,0,0,0|1,0,0]=3 32472 B14R1.1035 CC(NCCCO)c1ccccc1F 2230a_100000181408_100000230001 [0,2,0,0,0,0|1,0,0]=3 32473 B14R1.1035 CC(NCCCO)c1ccccc1F 269862a_100000182051_100000210632 [0,2,0,0,0,0|1,0,0]=3 32474 B14R1.1035 CC(NCCCO)c1ccccc1F 34a_100000181408_100000230001 [0,2,0,0,0,0|1,0,0]=3 32475 B14R1.1035 CC(NCCCO)c1ccccc1I 269862a_100000182051_100000751169 [0,2,0,0,0,0|1,0,0]=3 32476 B14R1.1035 CC(NCCCO)c1cccnc1O 2230a_100159269580_100000230001 [0,2,0,0,0,0|2,0,0]=4 32477 B14R1.1035 CC(NCCCO)c1ccncc1Br 269862a_100000182051_100009993184 [0,2,0,0,0,0|2,0,0]=4 32478 B14R1.1035 CC(NCCCO)c1ccncc1Cl 269862a_100000182051_100012001414 [0,2,0,0,0,0|2,0,0]=4 32479 B14R1.1035 CC(NCCCO)c1ccncc1F 269862a_100000182051_100000727669 [0,2,0,0,0,0|2,0,0]=4 32480 B14R1.1035 CC(NCCCO)c1cnccc1Cl 269862a_100000182051_100160469449 [0,2,0,0,0,0|2,0,0]=4 32481 B14R1.1035 CC(NCCCO)c1ncccc1Br 2230a_100159271932_100000230001 [0,2,0,0,0,0|2,0,0]=4 32482 B14R1.1035 CC(NCCCO)c1ncccc1Br 269862a_100000182051_100012348690 [0,2,0,0,0,0|2,0,0]=4 32483 B14R1.1035 CC(NCCCO)c1ncccc1Cl 269862a_100000182051_100015267551 [0,2,0,0,0,0|2,0,0]=4 32484 B14R1.1035 CC(NCCCO)c1ncccc1F 269862a_100000182051_100011997767 [0,2,0,0,0,0|2,0,0]=4 32485 B14R1.1035 CC(NCCCO)c1ncccc1I 269862a_100000182051_200015599370 [0,2,0,0,0,0|2,0,0]=4 32486 B14R1.1035 CC(OCCCBr)c1ccccc1F 34a_100011217188_200000741388 [0,2,0,0,0,0|2,0,0]=4 32487 B14R1.1035 CC(OCCCCl)c1ccccc1F 34a_100000230001_200000741388 [0,2,0,0,0,0|2,0,0]=4 32488 B14R1.1035 CC(OCCCF)c1ccccc1Br 34a_100000702211_100011934791 [0,2,0,0,0,0|2,0,0]=4 32489 B14R1.1035 CC(OCCCF)c1ccccc1Br 7a_100000702211_100011934791 [0,2,0,0,0,0|2,0,0]=4 32490 B14R1.1035 CC(OCCCF)c1ccccc1Cl 34a_100000740796_100011934791 [0,2,0,0,0,0|2,0,0]=4 32491 B14R1.1035 CC(OCCCF)c1ccccc1Cl 7a_100000740796_100011934791 [0,2,0,0,0,0|2,0,0]=4 32492 B14R1.1035 CC(OCCCF)c1ccccc1F 34a_100000697922_100011934791 [0,2,0,0,0,0|2,0,0]=4 32493 B14R1.1035 CC(OCCCF)c1ccccc1F 34a_100000759539_200000741388 [0,2,0,0,0,0|2,0,0]=4 32494 B14R1.1035 CC(OCCCF)c1ccccc1F 7a_100000697922_100011934791 [0,2,0,0,0,0|2,0,0]=4 32495 B14R1.1035 CC(OCCCF)c1ccccc1N 7a_100011405641_100011934791 [0,2,0,0,0,0|2,0,0]=4 32496 B14R1.1035 CC(OCCCN)c1ccccc1F 34a_100000182051_200000741388 [0,2,0,0,0,0|2,0,0]=4 32497 B14R1.1035 CC(OCCCO)c1ccccc1Br 34a_100000702211_100000230001 [0,2,0,0,0,0|1,0,0]=3 32498 B14R1.1035 CC(OCCCO)c1ccccc1Br 7a_100000702211_100011215043 [0,2,0,0,0,0|1,0,0]=3 32499 B14R1.1035 CC(OCCCO)c1ccccc1Cl 34a_100000740796_100000230001 [0,2,0,0,0,0|1,0,0]=3 32500 B14R1.1035 CC(OCCCO)c1ccccc1Cl 7a_100000740796_100011215043 [0,2,0,0,0,0|1,0,0]=3 32501 B14R1.1035 CC(OCCCO)c1ccccc1F 34a_100000697922_100000230001 [0,2,0,0,0,0|1,0,0]=3 32502 B14R1.1035 CC(OCCCO)c1ccccc1F 7a_100000697922_100011215043 [0,2,0,0,0,0|1,0,0]=3 32503 B14R1.1035 CC(OCCCO)c1ccccc1N 7a_100011405641_100011215043 [0,2,0,0,0,0|1,0,0]=3 32504 B14R1.1035 CC(OCCCO)c1cccnc1Cl 34a_100009865335_100000230001 [0,2,0,0,0,0|2,0,0]=4 32505 B14R1.1035 CC(OCCCO)c1cccnc1Cl 7a_100009865335_100011215043 [0,2,0,0,0,0|2,0,0]=4 32506 B14R1.1035 CC(OCCCO)c1ccncc1F 34a_100012180158_100000230001 [0,2,0,0,0,0|2,0,0]=4 32507 B14R1.1035 CC(SCCCF)c1ccccc1Cl 62a_100000181259_100011934791 [0,2,0,0,0,0|2,0,0]=4 32508 B14R1.1035 CC(SCCCF)c1ccccc1Cl 62a_100011934791_100000181259 [0,2,0,0,0,0|2,0,0]=4 32509 B14R1.1035 CC(SCCCF)c1ccccc1F 62a_100011934791_200000741388 [0,2,0,0,0,0|2,0,0]=4 32510 B14R1.1035 CC(SCCCF)c1ccccc1F 62a_200000741388_100011934791 [0,2,0,0,0,0|2,0,0]=4 32511 B14R1.1035 CC(SCCCO)c1ccccc1Cl 62a_100000181259_100011215043 [0,2,0,0,0,0|1,0,0]=3 32512 B14R1.1035 CC(SCCCO)c1ccccc1Cl 62a_100011215043_100000181259 [0,2,0,0,0,0|1,0,0]=3 32513 B14R1.1035 CC(SCCCO)c1ccccc1F 62a_100011215043_200000741388 [0,2,0,0,0,0|1,0,0]=3 32514 B14R1.1035 CC(SCCCO)c1ccccc1F 62a_200000741388_100011215043 [0,2,0,0,0,0|1,0,0]=3 32515 B14R1.1035 CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210326 [0,2,0,0,0,0|1,0,1]=4 32516 B14R1.1035 CCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210326 [0,2,0,0,0,0|1,0,1]=4 32517 B14R1.1035 CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210326 [0,2,0,0,0,0|1,0,1]=4 32518 B14R1.1035 CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210326 [0,2,0,0,0,0|1,0,1]=4 32519 B14R1.1035 CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210326 [0,2,0,0,0,0|1,0,1]=4 32520 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [0,2,0,0,0,0|1,0,1]=4 32521 B14R1.1035 CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210326 [0,2,0,0,0,0|1,0,1]=4 32522 B14R1.1035 CCCCCN(C)c1ccccc1Br 2230a_100020606079_100000210326 [0,2,0,0,0,0|2,0,0]=4 32523 B14R1.1035 CCCCCN(C)c1ccccc1Br 269982a_100020606079_100000210215 [0,2,0,0,0,0|2,0,0]=4 32524 B14R1.1035 CCCCCN(C)c1ccccc1Br 34a_100020606079_100000718602 [0,2,0,0,0,0|2,0,0]=4 32525 B14R1.1035 CCCCCN(C)c1ccccc1C 2230a_100000219699_100000210326 [0,2,0,0,0,0|2,0,0]=4 32526 B14R1.1035 CCCCCN(C)c1ccccc1C 269982a_100000219699_100000210215 [0,2,0,0,0,0|2,0,0]=4 32527 B14R1.1035 CCCCCN(C)c1ccccc1C 34a_100000219699_100000718602 [0,2,0,0,0,0|2,0,0]=4 32528 B14R1.1035 CCCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210326 [0,2,0,0,0,0|2,0,0]=4 32529 B14R1.1035 CCCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210215 [0,2,0,0,0,0|2,0,0]=4 32530 B14R1.1035 CCCCCN(C)c1ccccc1Cl 34a_100000219374_100000718602 [0,2,0,0,0,0|2,0,0]=4 32531 B14R1.1035 CCCCCN(C)c1ccccc1F 2230a_100000220357_100000210326 [0,2,0,0,0,0|2,0,0]=4 32532 B14R1.1035 CCCCCN(C)c1ccccc1F 269982a_100000220357_100000210215 [0,2,0,0,0,0|2,0,0]=4 32533 B14R1.1035 CCCCCN(C)c1ccccc1F 34a_100000220357_100000718602 [0,2,0,0,0,0|2,0,0]=4 32534 B14R1.1035 CCCCCN(C)c1ccccc1F 38a_100000220357_100000210215 [0,2,0,0,0,0|2,0,0]=4 32535 B14R1.1035 CCCCCN(C)c1ccccc1O 269982a_100000033821_100000210215 [0,2,0,0,0,0|2,0,0]=4 32536 B14R1.1035 CCCCNC(C)c1ccccc1Br 2230a_100000181357_100000210211 [0,2,0,0,0,0|2,0,0]=4 32537 B14R1.1035 CCCCNC(C)c1ccccc1Br 269862a_100000102301_100000187085 [0,2,0,0,0,0|2,0,0]=4 32538 B14R1.1035 CCCCNC(C)c1ccccc1C 2230a_100000181355_100000210211 [0,2,0,0,0,0|2,0,0]=4 32539 B14R1.1035 CCCCNC(C)c1ccccc1C 269862a_100000102301_100000211656 [0,2,0,0,0,0|2,0,0]=4 32540 B14R1.1035 CCCCNC(C)c1ccccc1C 34a_100000181355_100000210210 [0,2,0,0,0,0|2,0,0]=4 32541 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000102301_100000181259 [0,2,0,0,0,0|2,0,0]=4 32542 B14R1.1035 CCCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210211 [0,2,0,0,0,0|2,0,0]=4 32543 B14R1.1035 CCCCNC(C)c1ccccc1Cl 269862a_100000102301_100000210134 [0,2,0,0,0,0|2,0,0]=4 32544 B14R1.1035 CCCCNC(C)c1ccccc1Cl 34a_100000174978_100000210210 [0,2,0,0,0,0|2,0,0]=4 32545 B14R1.1035 CCCCNC(C)c1ccccc1Cl 7a_106832991798_100000181259 [0,2,0,0,0,0|2,0,0]=4 32546 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000102301_200000741388 [0,2,0,0,0,0|2,0,0]=4 32547 B14R1.1035 CCCCNC(C)c1ccccc1F 2230a_100000181408_100000210211 [0,2,0,0,0,0|2,0,0]=4 32548 B14R1.1035 CCCCNC(C)c1ccccc1F 269862a_100000102301_100000210632 [0,2,0,0,0,0|2,0,0]=4 32549 B14R1.1035 CCCCNC(C)c1ccccc1F 34a_100000181408_100000210210 [0,2,0,0,0,0|2,0,0]=4 32550 B14R1.1035 CCCCNC(C)c1ccccc1F 7a_106832991798_200000741388 [0,2,0,0,0,0|2,0,0]=4 32551 B14R1.1035 CCCCNC(C)c1ccccc1I 269862a_100000102301_100000751169 [0,2,0,0,0,0|2,0,0]=4 32552 B14R1.1035 CCCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210211 [0,2,0,0,0,0|2,0,0]=4 32553 B14R1.1035 CCCCOC(C)c1ccccc1Br 34a_100000702211_100000210210 [0,2,0,0,0,0|2,0,0]=4 32554 B14R1.1035 CCCCOC(C)c1ccccc1Br 7a_100000702211_100000210211 [0,2,0,0,0,0|2,0,0]=4 32555 B14R1.1035 CCCCOC(C)c1ccccc1C 34a_100000742021_100000210210 [0,2,0,0,0,0|2,0,0]=4 32556 B14R1.1035 CCCCOC(C)c1ccccc1C 7a_100000742021_100000210211 [0,2,0,0,0,0|2,0,0]=4 32557 B14R1.1035 CCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210210 [0,2,0,0,0,0|2,0,0]=4 32558 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000210227_100000181259 [0,2,0,0,0,0|2,0,0]=4 32559 B14R1.1035 CCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210211 [0,2,0,0,0,0|2,0,0]=4 32560 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000210227_200000741388 [0,2,0,0,0,0|2,0,0]=4 32561 B14R1.1035 CCCCOC(C)c1ccccc1F 34a_100000697922_100000210210 [0,2,0,0,0,0|2,0,0]=4 32562 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000210227_200000741388 [0,2,0,0,0,0|2,0,0]=4 32563 B14R1.1035 CCCCOC(C)c1ccccc1F 7a_100000697922_100000210211 [0,2,0,0,0,0|2,0,0]=4 32564 B14R1.1035 CCCCOC(C)c1ccccc1N 7a_100011405641_100000210211 [0,2,0,0,0,0|2,0,0]=4 32565 B14R1.1035 CCCCSC(C)c1ccccc1Cl 62a_100000181259_100000210210 [0,2,0,0,0,0|2,0,0]=4 32566 B14R1.1035 CCCCSC(C)c1ccccc1Cl 62a_100000210211_100000181259 [0,2,0,0,0,0|2,0,0]=4 32567 B14R1.1035 CCCCSC(C)c1ccccc1F 62a_100000210211_200000741388 [0,2,0,0,0,0|2,0,0]=4 32568 B14R1.1035 CCCCSC(C)c1ccccc1F 62a_200000741388_100000210210 [0,2,0,0,0,0|2,0,0]=4 32569 B14R1.1035 CCCNCC(O)c1ccccc1Br 2230a_100011236429_100000210303 [0,2,0,0,0,0|2,0,0]=4 32570 B14R1.1035 CCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210303 [0,2,0,0,0,0|2,0,0]=4 32571 B14R1.1035 CCCNCC(O)c1ccccc1Cl 34a_200000759403_100000210303 [0,2,0,0,0,0|2,0,0]=4 32572 B14R1.1035 CCCOCC(N)c1ccccc1Cl 34a_100138412506_100000210303 [0,2,0,0,0,0|2,0,0]=4 32573 B14R1.1035 CCCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210303 [0,2,0,0,0,0|2,0,0]=4 32574 B14R1.1035 CCCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210303 [0,2,0,0,0,0|2,0,0]=4 32575 B14R1.1035 CCOCCC(N)c1ccccc1Cl 34a_100011661560_100000210202 [0,2,0,0,0,0|2,0,0]=4 32576 B14R1.1035 CCOCCC(N)c1ccccc1F 34a_100011661569_100000210202 [0,2,0,0,0,0|2,0,0]=4 32577 B14R1.1035 CN(CCCCF)c1ccccc1Br 2230a_100020606079_100000729493 [0,2,0,0,0,0|2,0,0]=4 32578 B14R1.1035 CN(CCCCF)c1ccccc1Br 269982a_100020606079_100000729493 [0,2,0,0,0,0|2,0,0]=4 32579 B14R1.1035 CN(CCCCF)c1ccccc1Br 34a_100020606079_100000729493 [0,2,0,0,0,0|2,0,0]=4 32580 B14R1.1035 CN(CCCCF)c1ccccc1Cl 2230a_100000219374_100000729493 [0,2,0,0,0,0|2,0,0]=4 32581 B14R1.1035 CN(CCCCF)c1ccccc1Cl 269982a_100000219374_100000729493 [0,2,0,0,0,0|2,0,0]=4 32582 B14R1.1035 CN(CCCCF)c1ccccc1Cl 34a_100000219374_100000729493 [0,2,0,0,0,0|2,0,0]=4 32583 B14R1.1035 CN(CCCCF)c1ccccc1F 2230a_100000220357_100000729493 [0,2,0,0,0,0|2,0,0]=4 32584 B14R1.1035 CN(CCCCF)c1ccccc1F 269982a_100000220357_100000729493 [0,2,0,0,0,0|2,0,0]=4 32585 B14R1.1035 CN(CCCCF)c1ccccc1F 34a_100000220357_100000729493 [0,2,0,0,0,0|2,0,0]=4 32586 B14R1.1035 CN(CCCCF)c1ccccc1F 38a_100000220357_100000729493 [0,2,0,0,0,0|2,0,0]=4 32587 B14R1.1035 CN(CCCCF)c1ccccc1O 269982a_100000033821_100000729493 [0,2,0,0,0,0|2,0,0]=4 32588 B14R1.1035 CN(CCCCO)c1ccccc1Br 2230a_100020606079_100000210776 [0,2,0,0,0,0|1,0,0]=3 32589 B14R1.1035 CN(CCCCO)c1ccccc1Br 269982a_100020606079_100000210776 [0,2,0,0,0,0|1,0,0]=3 32590 B14R1.1035 CN(CCCCO)c1ccccc1Br 34a_100020606079_100011216708 [0,2,0,0,0,0|1,0,0]=3 32591 B14R1.1035 CN(CCCCO)c1ccccc1Cl 2230a_100000219374_100000210776 [0,2,0,0,0,0|1,0,0]=3 32592 B14R1.1035 CN(CCCCO)c1ccccc1Cl 269982a_100000219374_100000210776 [0,2,0,0,0,0|1,0,0]=3 32593 B14R1.1035 CN(CCCCO)c1ccccc1Cl 34a_100000219374_100011216708 [0,2,0,0,0,0|1,0,0]=3 32594 B14R1.1035 CN(CCCCO)c1ccccc1F 2230a_100000220357_100000210776 [0,2,0,0,0,0|1,0,0]=3 32595 B14R1.1035 CN(CCCCO)c1ccccc1F 269982a_100000220357_100000210776 [0,2,0,0,0,0|1,0,0]=3 32596 B14R1.1035 CN(CCCCO)c1ccccc1F 34a_100000220357_100011216708 [0,2,0,0,0,0|1,0,0]=3 32597 B14R1.1035 CN(CCCCO)c1ccccc1F 38a_100000220357_100011216708 [0,2,0,0,0,0|1,0,0]=3 32598 B14R1.1035 CN(CCCCO)c1ccccc1O 269982a_100000033821_100000210776 [0,2,0,0,0,0|1,0,0]=3 32599 B14R1.1035 CN(CCCCO)c1ccncc1Br 27a_100000717598_100000726257 [0,2,0,0,0,0|2,0,0]=4 32600 B14R1.1035 CN(CCCCO)c1ccncc1F 27a_100000717598_100000035921 [0,2,0,0,0,0|2,0,0]=4 32601 B14R1.1035 CN(CCCCO)c1ncccc1Br 27a_100000717598_100000696092 [0,2,0,0,0,0|2,0,0]=4 32602 B14R1.1035 C[C@@H](NCCCF)c1ccccc1O 2230a_100025703389_100011934791 [0,2,0,0,0,0|2,0,0]=4 32603 B14R1.1035 C[C@@H](NCCCO)c1ccccc1O 2230a_100025703389_100000230001 [0,2,0,0,0,0|1,0,0]=3 32604 B14R1.1035 C[C@H](OCCCO)c1ncccc1Br 7a_100013325542_100011215043 [0,2,0,0,0,0|2,0,0]=4 32605 B14R1.1035 Cc1ccccc1C(=O)CCCCF 1458a_100000212026_100000729493 [0,2,0,0,0,0|1,0,1]=4 32606 B14R1.1035 Cc1ccccc1C(=O)CCCCO 1458a_100000212026_100000210776 [0,2,0,0,0,0|0,0,1]=3 32607 B14R1.1035 Cc1ccccc1C(=O)CNCCO 2230a_100016997473_100000741374 [0,2,0,0,0,0|1,0,1]=4 32608 B14R1.1035 Cc1ccccc1C(=O)CNCCO 34a_100016990907_100000741374 [0,2,0,0,0,0|1,0,1]=4 32609 B14R1.1035 Cc1ccccc1C(=O)CSCCO 62a_100000211926_100000741374 [0,2,0,0,0,0|1,0,1]=4 32610 B14R1.1035 Cc1ccccc1C(=O)CSCCO 62a_100000741374_100000211926 [0,2,0,0,0,0|1,0,1]=4 32611 B14R1.1035 Cc1ccccc1C(=O)NCCCO 240690a_100000182051_100000212026 [0,2,0,0,0,0|1,0,1]=4 32612 B14R1.1035 Cc1ccccc1C(=O)NCCCO 527a_100000182051_100000212026 [0,2,0,0,0,0|1,0,1]=4 32613 B14R1.1035 Cc1ccccc1C(C)NCCCF 2230a_100000181355_100011934791 [0,2,0,0,0,0|2,0,0]=4 32614 B14R1.1035 Cc1ccccc1C(C)NCCCF 269862a_100015189416_100000211656 [0,2,0,0,0,0|2,0,0]=4 32615 B14R1.1035 Cc1ccccc1C(C)NCCCF 34a_100000181355_100011934791 [0,2,0,0,0,0|2,0,0]=4 32616 B14R1.1035 Cc1ccccc1C(C)NCCCO 2230a_100000181355_100000230001 [0,2,0,0,0,0|1,0,0]=3 32617 B14R1.1035 Cc1ccccc1C(C)NCCCO 269862a_100000182051_100000211656 [0,2,0,0,0,0|1,0,0]=3 32618 B14R1.1035 Cc1ccccc1C(C)NCCCO 34a_100000181355_100000230001 [0,2,0,0,0,0|1,0,0]=3 32619 B14R1.1035 Cc1ccccc1C(C)OCCCF 34a_100000742021_100011934791 [0,2,0,0,0,0|2,0,0]=4 32620 B14R1.1035 Cc1ccccc1C(C)OCCCF 7a_100000742021_100011934791 [0,2,0,0,0,0|2,0,0]=4 32621 B14R1.1035 Cc1ccccc1C(C)OCCCO 34a_100000742021_100000230001 [0,2,0,0,0,0|1,0,0]=3 32622 B14R1.1035 Cc1ccccc1C(C)OCCCO 7a_100000742021_100011215043 [0,2,0,0,0,0|1,0,0]=3 32623 B14R1.1035 Cc1ccccc1N(C)CCCCF 2230a_100000219699_100000729493 [0,2,0,0,0,0|2,0,0]=4 32624 B14R1.1035 Cc1ccccc1N(C)CCCCF 269982a_100000219699_100000729493 [0,2,0,0,0,0|2,0,0]=4 32625 B14R1.1035 Cc1ccccc1N(C)CCCCF 34a_100000219699_100000729493 [0,2,0,0,0,0|2,0,0]=4 32626 B14R1.1035 Cc1ccccc1N(C)CCCCO 2230a_100000219699_100000210776 [0,2,0,0,0,0|1,0,0]=3 32627 B14R1.1035 Cc1ccccc1N(C)CCCCO 269982a_100000219699_100000210776 [0,2,0,0,0,0|1,0,0]=3 32628 B14R1.1035 Cc1ccccc1N(C)CCCCO 34a_100000219699_100011216708 [0,2,0,0,0,0|1,0,0]=3 32629 B14R1.1035 Cc1cccnc1C(C)NCCCO 2230a_100011536111_100000230001 [0,2,0,0,0,0|2,0,0]=4 32630 B14R1.1035 Cc1cccnc1C(C)NCCCO 269862a_100000182051_100011536074 [0,2,0,0,0,0|2,0,0]=4 32631 B14R1.1035 Cc1ccncc1C(C)NCCCO 269862a_100000182051_100000693228 [0,2,0,0,0,0|2,0,0]=4 32632 B14R1.1035 Cc1cnccc1N(C)CCCCO 27a_100000717598_100000765111 [0,2,0,0,0,0|2,0,0]=4 32633 B14R1.1035 Cc1ncccc1C(C)NCCCO 269862a_100000182051_100011995960 [0,2,0,0,0,0|2,0,0]=4 32634 B14R1.1035 NC(CCOCF)c1ccccc1Cl 34a_100011661560_100015361967 [0,2,0,0,0,0|2,0,0]=4 32635 B14R1.1035 NC(CCOCF)c1ccccc1F 34a_100011661569_100015361967 [0,2,0,0,0,0|2,0,0]=4 32636 B14R1.1035 NC(COCCF)c1ccccc1Cl 34a_100138412506_100011217306 [0,2,0,0,0,0|2,0,0]=4 32637 B14R1.1035 NC(COCCO)c1ccccc1Cl 34a_100138412506_100000211926 [0,2,0,0,0,0|1,0,0]=3 32638 B14R1.1035 NC(COCCO)c1ccncc1Cl 34a_200020642286_100000211926 [0,2,0,0,0,0|2,0,0]=4 32639 B14R1.1035 N[C@@H](COCCF)c1ccccc1F 34a_100009818778_100011217306 [0,2,0,0,0,0|2,0,0]=4 32640 B14R1.1035 N[C@@H](COCCO)c1ccccc1F 34a_100009818778_100000211926 [0,2,0,0,0,0|1,0,0]=3 32641 B14R1.1035 N[C@H](COCCF)c1ccccc1Br 34a_100161155918_100011217306 [0,2,0,0,0,0|2,0,0]=4 32642 B14R1.1035 N[C@H](COCCO)c1ccccc1Br 34a_100161155918_100000211926 [0,2,0,0,0,0|1,0,0]=3 32643 B14R1.1035 O=C(CCCCF)c1ccccc1Br 1458a_100000188424_100000729493 [0,2,0,0,0,0|1,0,1]=4 32644 B14R1.1035 O=C(CCCCF)c1ccccc1Cl 1458a_100000185844_100000729493 [0,2,0,0,0,0|1,0,1]=4 32645 B14R1.1035 O=C(CCCCF)c1ccccc1F 1458a_100000188656_100000729493 [0,2,0,0,0,0|1,0,1]=4 32646 B14R1.1035 O=C(CCCCF)c1ccccc1I 1458a_100000187884_100000729493 [0,2,0,0,0,0|1,0,1]=4 32647 B14R1.1035 O=C(CCCCF)c1ccccc1O 1458a_100015234032_100000729493 [0,2,0,0,0,0|1,0,1]=4 32648 B14R1.1035 O=C(CCCCF)c1ccccc1[O-] 1458a_100009911694_100000729493 [0,2,0,0,0,0|1,0,1]=4 32649 B14R1.1035 O=C(CCCCO)c1ccccc1Br 1458a_100000188424_100000210776 [0,2,0,0,0,0|0,0,1]=3 32650 B14R1.1035 O=C(CCCCO)c1ccccc1Cl 1458a_100000185844_100000210776 [0,2,0,0,0,0|0,0,1]=3 32651 B14R1.1035 O=C(CCCCO)c1ccccc1F 1458a_100000188656_100000210776 [0,2,0,0,0,0|0,0,1]=3 32652 B14R1.1035 O=C(CCCCO)c1ccccc1I 1458a_100000187884_100000210776 [0,2,0,0,0,0|0,0,1]=3 32653 B14R1.1035 O=C(CCCCO)c1ccccc1O 1458a_100015234032_100000210776 [0,2,0,0,0,0|0,0,1]=3 32654 B14R1.1035 O=C(CCCCO)c1ccccc1[O-] 1458a_100009911694_100000210776 [0,2,0,0,0,0|0,0,1]=3 32655 B14R1.1035 O=C(CNCCO)c1ccccc1Br 34a_100016990907_100000199116 [0,2,0,0,0,0|1,0,1]=4 32656 B14R1.1035 O=C(CNCCO)c1ccccc1Cl 34a_100016990907_100000211432 [0,2,0,0,0,0|1,0,1]=4 32657 B14R1.1035 O=C(CNCCO)c1ccccc1F 34a_100016990907_100000204681 [0,2,0,0,0,0|1,0,1]=4 32658 B14R1.1035 O=C(CSCCO)c1ccccc1Br 62a_100000199116_100000211926 [0,2,0,0,0,0|1,0,1]=4 32659 B14R1.1035 O=C(CSCCO)c1ccccc1Cl 62a_100000211432_100000211926 [0,2,0,0,0,0|1,0,1]=4 32660 B14R1.1035 O=C(CSCCO)c1ccccc1Cl 62a_100000211926_100000211432 [0,2,0,0,0,0|1,0,1]=4 32661 B14R1.1035 O=C(CSCCO)c1ccccc1F 62a_100000204681_100000211926 [0,2,0,0,0,0|1,0,1]=4 32662 B14R1.1035 O=C(CSCCO)c1ccccc1F 62a_100000211926_100000204681 [0,2,0,0,0,0|1,0,1]=4 32663 B14R1.1035 O=C(CSCCO)c1ccccc1O 62a_100000188908_100000211926 [0,2,0,0,0,0|1,0,1]=4 32664 B14R1.1035 O=C(CSCCO)c1ccccc1O 62a_100000211926_100000188908 [0,2,0,0,0,0|1,0,1]=4 32665 B14R1.1035 O=C(NCCCO)c1ccccc1Br 240690a_100000182051_100000188424 [0,2,0,0,0,0|1,0,1]=4 32666 B14R1.1035 O=C(NCCCO)c1ccccc1Br 527a_100000182051_100000188424 [0,2,0,0,0,0|1,0,1]=4 32667 B14R1.1035 O=C(NCCCO)c1ccccc1Cl 240690a_100000182051_100000185844 [0,2,0,0,0,0|1,0,1]=4 32668 B14R1.1035 O=C(NCCCO)c1ccccc1Cl 527a_100000182051_100000185844 [0,2,0,0,0,0|1,0,1]=4 32669 B14R1.1035 O=C(NCCCO)c1ccccc1F 240690a_100000182051_100000188656 [0,2,0,0,0,0|1,0,1]=4 32670 B14R1.1035 O=C(NCCCO)c1ccccc1F 527a_100000182051_100000188656 [0,2,0,0,0,0|1,0,1]=4 32671 B14R1.1035 O=C(NCCCO)c1ccccc1I 240690a_100000182051_100000187884 [0,2,0,0,0,0|1,0,1]=4 32672 B14R1.1035 O=C(NCCCO)c1ccccc1I 527a_100000182051_100000187884 [0,2,0,0,0,0|1,0,1]=4 32673 B14R1.1035 O=C(NCCCO)c1ccccc1O 240690a_100000182051_100015234032 [0,2,0,0,0,0|1,0,1]=4 32674 B14R1.1035 O=C(NCCCO)c1ccccc1[O-] 240690a_100000182051_100009911694 [0,2,0,0,0,0|1,0,1]=4 32675 B14R1.1035 O=C(NCCCO)c1ccccc1[O-] 527a_100000182051_100009911694 [0,2,0,0,0,0|1,0,1]=4 32676 B14R1.1035 OC(CNCCF)c1ccccc1Br 2230a_100011236429_100011217306 [0,2,0,0,0,0|2,0,0]=4 32677 B14R1.1035 OC(CNCCF)c1ccccc1Cl 2230a_200000759403_100011217306 [0,2,0,0,0,0|2,0,0]=4 32678 B14R1.1035 OC(CNCCF)c1ccccc1Cl 34a_200000759403_100011217306 [0,2,0,0,0,0|2,0,0]=4 32679 B14R1.1035 OCCNCC(O)c1ccccc1Br 2230a_100011236429_100000211926 [0,2,0,0,0,0|1,0,0]=3 32680 B14R1.1035 OCCNCC(O)c1ccccc1Cl 2230a_200000759403_100000211926 [0,2,0,0,0,0|1,0,0]=3 32681 B14R1.1035 OCCNCC(O)c1ccccc1Cl 34a_200000759403_100000211926 [0,2,0,0,0,0|1,0,0]=3 32682 B14R1.123 BrCCCCCOCc1ccccc1 34a_100000746331_100015291786 [0,2,0,0,0,0|1,0,0]=3 32683 B14R1.123 BrCCCCCOCc1ccccc1 7a_100000746331_100000211182 [0,2,0,0,0,0|1,0,0]=3 32684 B14R1.123 BrCCCCCOCc1ccccn1 34a_100000746331_100000721315 [0,2,0,0,0,0|2,0,0]=4 32685 B14R1.123 BrCCCCCOCc1ccccn1 7a_100000746331_100000721315 [0,2,0,0,0,0|2,0,0]=4 32686 B14R1.123 BrCCCCCOCc1cccnc1 34a_100000746331_100000733263 [0,2,0,0,0,0|2,0,0]=4 32687 B14R1.123 BrCCCCCOCc1cccnc1 7a_100000746331_100000741622 [0,2,0,0,0,0|2,0,0]=4 32688 B14R1.123 BrCCCCCOCc1ccncc1 7a_100000746331_100015193705 [0,2,0,0,0,0|2,0,0]=4 32689 B14R1.123 BrCCCCOCCc1ccccc1 34a_100011216708_100000765856 [0,2,0,0,0,0|1,0,0]=3 32690 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [0,2,0,0,0,0|1,0,1]=4 32691 B14R1.123 BrCCCOCC#Cc1ccccc1 34a_100011217188_100011352542 [0,2,0,0,0,0|1,0,1]=4 32692 B14R1.123 BrCCCOCCCc1ccccc1 34a_100011217188_100000211621 [0,2,0,0,0,0|1,0,0]=3 32693 B14R1.123 BrCCCOCCOc1ccccc1 34a_100011217188_100000184471 [0,2,0,0,0,0|1,0,0]=3 32694 B14R1.123 BrCCCOCCSc1ccccc1 34a_100011217188_100000246102 [0,2,0,0,0,0|1,0,0]=3 32695 B14R1.123 BrCCCOCOCc1ccccc1 34a_100011217188_100000763385 [0,2,0,0,0,0|1,0,0]=3 32696 B14R1.123 BrCCCOCSCc1ccccc1 34a_100011217188_200011217039 [0,2,0,0,0,0|1,0,0]=3 32697 B14R1.123 BrCCOCCCCc1ccccc1 34a_100000211926_100000701786 [0,2,0,0,0,0|1,0,0]=3 32698 B14R1.123 BrCCOCCCOc1ccccc1 34a_100000211926_100000199009 [0,2,0,0,0,0|1,0,0]=3 32699 B14R1.123 BrCCOCCCSc1ccccc1 34a_100000211926_200011203293 [0,2,0,0,0,0|1,0,0]=3 32700 B14R1.123 BrCCOCCOCc1ccccc1 34a_100000211926_100000234347 [0,2,0,0,0,0|1,0,0]=3 32701 B14R1.123 BrCCOCCOCc1ccccc1 34a_100000692535_100015291786 [0,2,0,0,0,0|1,0,0]=3 32702 B14R1.123 BrCCOCCOCc1ccccc1 7a_100000692535_100000211182 [0,2,0,0,0,0|1,0,0]=3 32703 B14R1.123 BrCCOCCOCc1ccccn1 34a_100000692535_100000721315 [0,2,0,0,0,0|2,0,0]=4 32704 B14R1.123 BrCCOCCOCc1ccccn1 7a_100000692535_100000721315 [0,2,0,0,0,0|2,0,0]=4 32705 B14R1.123 BrCCOCCOCc1cccnc1 34a_100000692535_100000733263 [0,2,0,0,0,0|2,0,0]=4 32706 B14R1.123 BrCCOCCOCc1cccnc1 7a_100000692535_100000741622 [0,2,0,0,0,0|2,0,0]=4 32707 B14R1.123 BrCCOCCOCc1ccncc1 7a_100000692535_100015193705 [0,2,0,0,0,0|2,0,0]=4 32708 B14R1.123 BrCCOCCSCc1ccccc1 34a_100000211926_200011297719 [0,2,0,0,0,0|1,0,0]=3 32709 B14R1.123 C#CCCCCCNc1ccccc1 34a_100000106764_100012094781 [0,2,0,0,0,0|1,0,0]=3 32710 B14R1.123 C#CCCCCCOc1ccccc1 34a_100000210340_100012094781 [0,2,0,0,0,0|1,0,0]=3 32711 B14R1.123 C#CCCCCCOc1ccccc1 7a_100000210340_100012094781 [0,2,0,0,0,0|1,0,0]=3 32712 B14R1.123 C#CCCCCCOc1cccnc1 34a_100000210849_100012094781 [0,2,0,0,0,0|2,0,0]=4 32713 B14R1.123 C#CCCCCCOc1cccnc1 7a_100000210849_100012094781 [0,2,0,0,0,0|2,0,0]=4 32714 B14R1.123 C#CCCCCCOc1ccncc1 34a_100000212176_100012094781 [0,2,0,0,0,0|2,0,0]=4 32715 B14R1.123 C#CCCCCCSc1ccccc1 62a_100000719477_100012094781 [0,2,0,0,0,0|1,0,0]=3 32716 B14R1.123 C#CCCCCCSc1ccccc1 62a_100012094781_100000041952 [0,2,0,0,0,0|1,0,0]=3 32717 B14R1.123 C#CCCCCCSc1ccccn1 62a_100011216584_100012094781 [0,2,0,0,0,0|2,0,0]=4 32718 B14R1.123 C#CCCCCCSc1ccccn1 62a_100012094781_100011216584 [0,2,0,0,0,0|2,0,0]=4 32719 B14R1.123 C#CCCCCCSc1cccnc1 62a_100000210063_100012094781 [0,2,0,0,0,0|2,0,0]=4 32720 B14R1.123 C#CCCCCCSc1cccnc1 62a_100012094781_100000210063 [0,2,0,0,0,0|2,0,0]=4 32721 B14R1.123 C#CCCCCCSc1ccncc1 62a_100000728582_100012094781 [0,2,0,0,0,0|2,0,0]=4 32722 B14R1.123 C#CCCCCCSc1ccncc1 62a_100012094781_100000728582 [0,2,0,0,0,0|2,0,0]=4 32723 B14R1.123 C#CCCCCNCc1ccccc1 207a_100000706060_100015611070 [0,2,0,0,0,0|1,0,0]=3 32724 B14R1.123 C#CCCCCNCc1ccccc1 2230a_100000706060_100015291786 [0,2,0,0,0,0|1,0,0]=3 32725 B14R1.123 C#CCCCCNCc1ccccc1 2230a_100015324214_100010269958 [0,2,0,0,0,0|1,0,0]=3 32726 B14R1.123 C#CCCCCNCc1ccccc1 34a_100000706060_100015291786 [0,2,0,0,0,0|1,0,0]=3 32727 B14R1.123 C#CCCCCNCc1ccccc1 34a_100015324214_100010269958 [0,2,0,0,0,0|1,0,0]=3 32728 B14R1.123 C#CCCCCNCc1ccccn1 207a_100000706060_100000209966 [0,2,0,0,0,0|2,0,0]=4 32729 B14R1.123 C#CCCCCNCc1ccccn1 2230a_100000706060_100000721315 [0,2,0,0,0,0|2,0,0]=4 32730 B14R1.123 C#CCCCCNCc1ccccn1 34a_100000706060_100000721315 [0,2,0,0,0,0|2,0,0]=4 32731 B14R1.123 C#CCCCCNCc1cccnc1 207a_100000706060_100000209961 [0,2,0,0,0,0|2,0,0]=4 32732 B14R1.123 C#CCCCCNCc1cccnc1 2230a_100000706060_100000741622 [0,2,0,0,0,0|2,0,0]=4 32733 B14R1.123 C#CCCCCNCc1cccnc1 34a_100000706060_100000733263 [0,2,0,0,0,0|2,0,0]=4 32734 B14R1.123 C#CCCCCNCc1ccncc1 207a_100000706060_100000186114 [0,2,0,0,0,0|2,0,0]=4 32735 B14R1.123 C#CCCCCNCc1ccncc1 2230a_100000706060_100015193705 [0,2,0,0,0,0|2,0,0]=4 32736 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000210790_100010269958 [0,2,0,0,0,0|1,0,0]=3 32737 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000766709_100015291786 [0,2,0,0,0,0|1,0,0]=3 32738 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000210790_100010269958 [0,2,0,0,0,0|1,0,0]=3 32739 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000766709_100000211182 [0,2,0,0,0,0|1,0,0]=3 32740 B14R1.123 C#CCCCCOCc1ccccn1 34a_100000766709_100000721315 [0,2,0,0,0,0|2,0,0]=4 32741 B14R1.123 C#CCCCCOCc1ccccn1 7a_100000766709_100000721315 [0,2,0,0,0,0|2,0,0]=4 32742 B14R1.123 C#CCCCCOCc1cccnc1 34a_100000766709_100000733263 [0,2,0,0,0,0|2,0,0]=4 32743 B14R1.123 C#CCCCCOCc1cccnc1 7a_100000766709_100000741622 [0,2,0,0,0,0|2,0,0]=4 32744 B14R1.123 C#CCCCCOCc1ccncc1 7a_100000766709_100015193705 [0,2,0,0,0,0|2,0,0]=4 32745 B14R1.123 C#CCCCCSCc1ccccc1 62a_100000211182_100010269958 [0,2,0,0,0,0|1,0,0]=3 32746 B14R1.123 C#CCCCCSCc1ccccc1 62a_100010269958_100015291786 [0,2,0,0,0,0|1,0,0]=3 32747 B14R1.123 C#CCCCCSCc1ccccn1 62a_100000721315_100010269958 [0,2,0,0,0,0|2,0,0]=4 32748 B14R1.123 C#CCCCCSCc1ccccn1 62a_100010269958_100000721315 [0,2,0,0,0,0|2,0,0]=4 32749 B14R1.123 C#CCCCCSCc1cccnc1 62a_100000741622_100010269958 [0,2,0,0,0,0|2,0,0]=4 32750 B14R1.123 C#CCCCCSCc1cccnc1 62a_100010269958_100000741622 [0,2,0,0,0,0|2,0,0]=4 32751 B14R1.123 C#CCCCCSCc1ccncc1 62a_100010269958_100015193705 [0,2,0,0,0,0|2,0,0]=4 32752 B14R1.123 C#CCCCCSCc1ccncc1 62a_100015193705_100010269958 [0,2,0,0,0,0|2,0,0]=4 32753 B14R1.123 C#CCCCNCCc1ccccc1 2230a_100000106460_100000731252 [0,2,0,0,0,0|1,0,0]=3 32754 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000106460_100000695029 [0,2,0,0,0,0|1,0,0]=3 32755 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000718082_100000765856 [0,2,0,0,0,0|1,0,0]=3 32756 B14R1.123 C#CCCCNCCc1cccnc1 2230a_100000736294_100000731252 [0,2,0,0,0,0|2,0,0]=4 32757 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000210268_100000695029 [0,2,0,0,0,0|1,0,0]=3 32758 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000215630_100000765856 [0,2,0,0,0,0|1,0,0]=3 32759 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000210268_100011215417 [0,2,0,0,0,0|1,0,0]=3 32760 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000215630_100000765856 [0,2,0,0,0,0|1,0,0]=3 32761 B14R1.123 C#CCCCOCCc1ccccn1 34a_100000210271_100000695029 [0,2,0,0,0,0|2,0,0]=4 32762 B14R1.123 C#CCCCOCCc1ccccn1 7a_100000215630_100015183660 [0,2,0,0,0,0|2,0,0]=4 32763 B14R1.123 C#CCCCOCCc1cccnc1 34a_100011217484_100000695029 [0,2,0,0,0,0|2,0,0]=4 32764 B14R1.123 C#CCCCOCCc1cccnc1 7a_100000215630_200011713674 [0,2,0,0,0,0|2,0,0]=4 32765 B14R1.123 C#CCCCOCCc1ccncc1 34a_100011216225_100000695029 [0,2,0,0,0,0|2,0,0]=4 32766 B14R1.123 C#CCCCOCCc1ccncc1 7a_100000215630_100000723409 [0,2,0,0,0,0|2,0,0]=4 32767 B14R1.123 C#CCCCSCCc1ccccc1 62a_100000765856_100011215417 [0,2,0,0,0,0|1,0,0]=3 32768 B14R1.123 C#CCCCSCCc1ccccc1 62a_100011215417_100011218657 [0,2,0,0,0,0|1,0,0]=3 32769 B14R1.123 C#CCCCSCCc1ccccn1 62a_100011215417_100015183660 [0,2,0,0,0,0|2,0,0]=4 32770 B14R1.123 C#CCCCSCCc1ccccn1 62a_100015183660_100011215417 [0,2,0,0,0,0|2,0,0]=4 32771 B14R1.123 C#CCCCSCCc1cccnc1 62a_100011215417_200011713674 [0,2,0,0,0,0|2,0,0]=4 32772 B14R1.123 C#CCCCSCCc1cccnc1 62a_200011713674_100011215417 [0,2,0,0,0,0|2,0,0]=4 32773 B14R1.123 C#CCCCSCCc1ccncc1 62a_100000723409_100011215417 [0,2,0,0,0,0|2,0,0]=4 32774 B14R1.123 C#CCCCSCCc1ccncc1 62a_100011215417_100000723409 [0,2,0,0,0,0|2,0,0]=4 32775 B14R1.123 C#CCCCSCSc1ccccc1 62a_100011215417_100011218342 [0,2,0,0,0,0|1,0,1]=4 32776 B14R1.123 C#CCCCSCSc1ccccc1 62a_100011218342_100011215417 [0,2,0,0,0,0|1,0,1]=4 32777 B14R1.123 C#CCCNCCCc1ccccc1 2230a_100000211184_100000688953 [0,2,0,0,0,0|1,0,0]=3 32778 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000211184_100000688953 [0,2,0,0,0,0|1,0,0]=3 32779 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000755551_100000211621 [0,2,0,0,0,0|1,0,0]=3 32780 B14R1.123 C#CCCNCCCc1cccnc1 2230a_100011532358_100000688953 [0,2,0,0,0,0|2,0,0]=4 32781 B14R1.123 C#CCCNCCCc1cccnc1 34a_100011532358_100000688953 [0,2,0,0,0,0|2,0,0]=4 32782 B14R1.123 C#CCCNCCCc1ccncc1 2230a_100011275580_100000688953 [0,2,0,0,0,0|2,0,0]=4 32783 B14R1.123 C#CCCNCCOc1ccccc1 2230a_100000174943_100000688953 [0,2,0,0,0,0|1,0,1]=4 32784 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000174943_100000688953 [0,2,0,0,0,0|1,0,1]=4 32785 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000755551_100000184471 [0,2,0,0,0,0|1,0,1]=4 32786 B14R1.123 C#CCCNCCSc1ccccc1 2230a_100000189519_100000688953 [0,2,0,0,0,0|1,0,1]=4 32787 B14R1.123 C#CCCNCCSc1ccccc1 34a_100000755551_100000246102 [0,2,0,0,0,0|1,0,1]=4 32788 B14R1.123 C#CCCNCOCc1ccccc1 34a_100000755551_100000763385 [0,2,0,0,0,0|1,0,1]=4 32789 B14R1.123 C#CCCNCSCc1ccccc1 34a_100000755551_200011217039 [0,2,0,0,0,0|1,0,1]=4 32790 B14R1.123 C#CCCOCCCc1ccccc1 34a_100000210828_100000688953 [0,2,0,0,0,0|1,0,0]=3 32791 B14R1.123 C#CCCOCCCc1ccccc1 34a_100011215631_100000211621 [0,2,0,0,0,0|1,0,0]=3 32792 B14R1.123 C#CCCOCCCc1ccccc1 7a_100000210828_100000688953 [0,2,0,0,0,0|1,0,0]=3 32793 B14R1.123 C#CCCOCCCc1ccccn1 34a_100011215068_100000688953 [0,2,0,0,0,0|2,0,0]=4 32794 B14R1.123 C#CCCOCCCc1cccnc1 34a_100000211284_100000688953 [0,2,0,0,0,0|2,0,0]=4 32795 B14R1.123 C#CCCOCCCc1ccncc1 34a_100000210659_100000688953 [0,2,0,0,0,0|2,0,0]=4 32796 B14R1.123 C#CCCOCCNc1ccccc1 34a_100000211345_100000688953 [0,2,0,0,0,0|1,0,1]=4 32797 B14R1.123 C#CCCOCCOc1ccccc1 34a_100000210260_100000688953 [0,2,0,0,0,0|1,0,1]=4 32798 B14R1.123 C#CCCOCCOc1ccccc1 34a_100011215631_100000184471 [0,2,0,0,0,0|1,0,1]=4 32799 B14R1.123 C#CCCOCCOc1ccccc1 7a_100000210260_100000688953 [0,2,0,0,0,0|1,0,1]=4 32800 B14R1.123 C#CCCOCCSc1ccccc1 34a_100011215631_100000246102 [0,2,0,0,0,0|1,0,1]=4 32801 B14R1.123 C#CCCOCCSc1ccccc1 7a_100000230494_100000688953 [0,2,0,0,0,0|1,0,1]=4 32802 B14R1.123 C#CCCOCOCc1ccccc1 34a_100011215631_100000763385 [0,2,0,0,0,0|1,0,1]=4 32803 B14R1.123 C#CCCOCSCc1ccccc1 34a_100011215631_200011217039 [0,2,0,0,0,0|1,0,1]=4 32804 B14R1.123 C#CCCSCCCc1ccccc1 62a_100000211621_100000688953 [0,2,0,0,0,0|1,0,0]=3 32805 B14R1.123 C#CCCSCCCc1ccccc1 62a_100000688953_100000211621 [0,2,0,0,0,0|1,0,0]=3 32806 B14R1.123 C#CCCSCCOc1ccccc1 62a_100000184471_100000688953 [0,2,0,0,0,0|1,0,1]=4 32807 B14R1.123 C#CCCSCCOc1ccccc1 62a_100000688953_100000184471 [0,2,0,0,0,0|1,0,1]=4 32808 B14R1.123 C#CCCSCCSc1ccccc1 62a_100000246102_100000688953 [0,2,0,0,0,0|1,0,1]=4 32809 B14R1.123 C#CCCSCCSc1ccccc1 62a_100000688953_100000246102 [0,2,0,0,0,0|1,0,1]=4 32810 B14R1.123 C#CCCSCOCc1ccccc1 62a_100000688953_100000763385 [0,2,0,0,0,0|1,0,1]=4 32811 B14R1.123 C#CCCSCOCc1ccccc1 62a_100000763385_100000688953 [0,2,0,0,0,0|1,0,1]=4 32812 B14R1.123 C#CCCSCSCc1ccccc1 62a_100000688953_200011217039 [0,2,0,0,0,0|1,0,1]=4 32813 B14R1.123 C#CCCSCSCc1ccccc1 62a_200011217039_100000688953 [0,2,0,0,0,0|1,0,1]=4 32814 B14R1.123 C#CCNCCCCc1ccccc1 2230a_100015280158_100000038162 [0,2,0,0,0,0|1,0,0]=3 32815 B14R1.123 C#CCNCCCCc1ccccc1 34a_100000212058_100000701786 [0,2,0,0,0,0|1,0,0]=3 32816 B14R1.123 C#CCNCCCCc1ccccc1 34a_100015280158_100000184674 [0,2,0,0,0,0|1,0,0]=3 32817 B14R1.123 C#CCNCCCOc1ccccc1 2230a_100000216521_100000038162 [0,2,0,0,0,0|1,0,1]=4 32818 B14R1.123 C#CCNCCCOc1ccccc1 34a_100000212058_100000199009 [0,2,0,0,0,0|1,0,1]=4 32819 B14R1.123 C#CCNCCCOc1ccccc1 34a_100000216521_100000184674 [0,2,0,0,0,0|1,0,1]=4 32820 B14R1.123 C#CCNCCCSc1ccccc1 2230a_100000184639_100000038162 [0,2,0,0,0,0|1,0,1]=4 32821 B14R1.123 C#CCNCCCSc1ccccc1 34a_100000212058_200011203293 [0,2,0,0,0,0|1,0,1]=4 32822 B14R1.123 C#CCNCCOCc1ccccc1 2230a_100000753106_100000038162 [0,2,0,0,0,0|1,0,1]=4 32823 B14R1.123 C#CCNCCOCc1ccccc1 34a_100000212058_100000234347 [0,2,0,0,0,0|1,0,1]=4 32824 B14R1.123 C#CCNCCOCc1ccccc1 34a_100000753106_100000184674 [0,2,0,0,0,0|1,0,1]=4 32825 B14R1.123 C#CCNCCSCc1ccccc1 2230a_100000189534_100000038162 [0,2,0,0,0,0|1,0,1]=4 32826 B14R1.123 C#CCNCCSCc1ccccc1 34a_100000189534_100000184674 [0,2,0,0,0,0|1,0,1]=4 32827 B14R1.123 C#CCNCCSCc1ccccc1 34a_100000212058_200011297719 [0,2,0,0,0,0|1,0,1]=4 32828 B14R1.123 C#CCNCCSCc1ccccc1 7a_100000189534_100000038162 [0,2,0,0,0,0|1,0,1]=4 32829 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000210247_100000701786 [0,2,0,0,0,0|1,0,0]=3 32830 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000703073_100000184674 [0,2,0,0,0,0|1,0,0]=3 32831 B14R1.123 C#CCOCCCCc1ccccc1 7a_100000703073_100000038162 [0,2,0,0,0,0|1,0,0]=3 32832 B14R1.123 C#CCOCCCCc1ccccn1 34a_100012186994_100000184674 [0,2,0,0,0,0|2,0,0]=4 32833 B14R1.123 C#CCOCCCCc1cccnc1 34a_100012039607_100000184674 [0,2,0,0,0,0|2,0,0]=4 32834 B14R1.123 C#CCOCCCCc1cccnc1 7a_100012039607_100000038162 [0,2,0,0,0,0|2,0,0]=4 32835 B14R1.123 C#CCOCCCCc1ccncc1 34a_100011787716_100000184674 [0,2,0,0,0,0|2,0,0]=4 32836 B14R1.123 C#CCOCCCNc1ccccc1 34a_100000212590_100000184674 [0,2,0,0,0,0|1,0,1]=4 32837 B14R1.123 C#CCOCCCOc1ccccc1 34a_100000210247_100000199009 [0,2,0,0,0,0|1,0,1]=4 32838 B14R1.123 C#CCOCCCOc1ccccc1 34a_100011215863_100000184674 [0,2,0,0,0,0|1,0,1]=4 32839 B14R1.123 C#CCOCCCOc1ccccc1 7a_100011215863_100000038162 [0,2,0,0,0,0|1,0,1]=4 32840 B14R1.123 C#CCOCCCSc1ccccc1 34a_100000210247_200011203293 [0,2,0,0,0,0|1,0,1]=4 32841 B14R1.123 C#CCOCCNCc1ccccc1 2230a_100000700922_100015291786 [0,2,0,0,0,0|1,0,1]=4 32842 B14R1.123 C#CCOCCNCc1ccccc1 2230a_100015324214_100010402529 [0,2,0,0,0,0|1,0,1]=4 32843 B14R1.123 C#CCOCCNCc1ccccc1 34a_100000180844_100000184674 [0,2,0,0,0,0|1,0,1]=4 32844 B14R1.123 C#CCOCCNCc1ccccc1 34a_100000700922_100015291786 [0,2,0,0,0,0|1,0,1]=4 32845 B14R1.123 C#CCOCCNCc1ccccc1 34a_100015324214_100010402529 [0,2,0,0,0,0|1,0,1]=4 32846 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000054580_100015291786 [0,2,0,0,0,0|1,0,1]=4 32847 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000210247_100000234347 [0,2,0,0,0,0|1,0,1]=4 32848 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000210790_100010402529 [0,2,0,0,0,0|1,0,1]=4 32849 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000759325_100000184674 [0,2,0,0,0,0|1,0,1]=4 32850 B14R1.123 C#CCOCCOCc1ccccc1 7a_100000054580_100000211182 [0,2,0,0,0,0|1,0,1]=4 32851 B14R1.123 C#CCOCCOCc1ccccc1 7a_100000210790_100010402529 [0,2,0,0,0,0|1,0,1]=4 32852 B14R1.123 C#CCOCCOCc1ccccc1 7a_100000759325_100000038162 [0,2,0,0,0,0|1,0,1]=4 32853 B14R1.123 C#CCOCCSCc1ccccc1 34a_100000210247_200011297719 [0,2,0,0,0,0|1,0,1]=4 32854 B14R1.123 C#CCOCCSCc1ccccc1 34a_100011205989_100000184674 [0,2,0,0,0,0|1,0,1]=4 32855 B14R1.123 C#CCOCCSCc1ccccc1 62a_100000211182_100010402529 [0,2,0,0,0,0|1,0,1]=4 32856 B14R1.123 C#CCOCCSCc1ccccc1 62a_100010402529_100015291786 [0,2,0,0,0,0|1,0,1]=4 32857 B14R1.123 C#CCOCCSCc1ccccc1 7a_100011205989_100000038162 [0,2,0,0,0,0|1,0,1]=4 32858 B14R1.123 C#CCSCCCCc1ccccc1 62a_100000038162_100000701786 [0,2,0,0,0,0|1,0,0]=3 32859 B14R1.123 C#CCSCCCCc1ccncc1 62a_100000038162_100020630000 [0,2,0,0,0,0|2,0,0]=4 32860 B14R1.123 C#CCSCCCOc1ccccc1 62a_100000038162_100000199009 [0,2,0,0,0,0|1,0,1]=4 32861 B14R1.123 C#CCSCCCSc1ccccc1 62a_100000038162_200011203293 [0,2,0,0,0,0|1,0,1]=4 32862 B14R1.123 C#CCSCCOCc1ccccc1 62a_100000038162_100000234347 [0,2,0,0,0,0|1,0,1]=4 32863 B14R1.123 C#CCSCCSCc1ccccc1 62a_100000038162_200011297719 [0,2,0,0,0,0|1,0,1]=4 32864 B14R1.123 C/C=C/CCOCCc1ccccc1 34a_100016278192_100000765856 [0,2,0,0,0,0|1,0,1]=4 32865 B14R1.123 C/C=C/CNCCCc1ccccc1 34a_100000211184_100102629194 [0,2,0,0,0,0|1,0,1]=4 32866 B14R1.123 C/C=C/COCCCc1ccccc1 34a_100000210828_100102629194 [0,2,0,0,0,0|1,0,1]=4 32867 B14R1.123 C/C=C/COCCCc1ccccc1 34a_100016270725_100000211621 [0,2,0,0,0,0|1,0,1]=4 32868 B14R1.123 C/C=C/COCCCc1ccccc1 7a_100000210828_100102629194 [0,2,0,0,0,0|1,0,1]=4 32869 B14R1.123 C/C=C/CSCCCc1ccccc1 62a_100000211621_100102629194 [0,2,0,0,0,0|1,0,1]=4 32870 B14R1.123 C/C=C/CSCCCc1ccccc1 62a_100102629194_100000211621 [0,2,0,0,0,0|1,0,1]=4 32871 B14R1.123 C=CCCCCCNc1ccccc1 34a_100000106764_100000700193 [0,2,0,0,0,0|1,0,0]=3 32872 B14R1.123 C=CCCCCCOc1ccccc1 34a_100000210340_100000700193 [0,2,0,0,0,0|1,0,0]=3 32873 B14R1.123 C=CCCCCCOc1ccccc1 7a_100000210340_100000700193 [0,2,0,0,0,0|1,0,0]=3 32874 B14R1.123 C=CCCCCCOc1cccnc1 34a_100000210849_100000700193 [0,2,0,0,0,0|2,0,0]=4 32875 B14R1.123 C=CCCCCCOc1cccnc1 7a_100000210849_100000700193 [0,2,0,0,0,0|2,0,0]=4 32876 B14R1.123 C=CCCCCCOc1ccncc1 34a_100000212176_100000700193 [0,2,0,0,0,0|2,0,0]=4 32877 B14R1.123 C=CCCCCCSc1ccccc1 62a_100000700193_100000041952 [0,2,0,0,0,0|1,0,0]=3 32878 B14R1.123 C=CCCCCCSc1ccccc1 62a_100000719477_100000700193 [0,2,0,0,0,0|1,0,0]=3 32879 B14R1.123 C=CCCCCCSc1ccccn1 62a_100000700193_100011216584 [0,2,0,0,0,0|2,0,0]=4 32880 B14R1.123 C=CCCCCCSc1ccccn1 62a_100011216584_100000700193 [0,2,0,0,0,0|2,0,0]=4 32881 B14R1.123 C=CCCCCCSc1cccnc1 62a_100000210063_100000700193 [0,2,0,0,0,0|2,0,0]=4 32882 B14R1.123 C=CCCCCCSc1cccnc1 62a_100000700193_100000210063 [0,2,0,0,0,0|2,0,0]=4 32883 B14R1.123 C=CCCCCCSc1ccncc1 62a_100000700193_100000728582 [0,2,0,0,0,0|2,0,0]=4 32884 B14R1.123 C=CCCCCCSc1ccncc1 62a_100000728582_100000700193 [0,2,0,0,0,0|2,0,0]=4 32885 B14R1.123 C=CCCCCNCc1ccccc1 207a_100000703577_100015611070 [0,2,0,0,0,0|1,0,0]=3 32886 B14R1.123 C=CCCCCNCc1ccccc1 2230a_100000703577_100015291786 [0,2,0,0,0,0|1,0,0]=3 32887 B14R1.123 C=CCCCCNCc1ccccc1 2230a_100015324214_100011215482 [0,2,0,0,0,0|1,0,0]=3 32888 B14R1.123 C=CCCCCNCc1ccccc1 270004a_100000703577_100015611070 [0,2,0,0,0,0|1,0,0]=3 32889 B14R1.123 C=CCCCCNCc1ccccc1 34a_100000703577_100015291786 [0,2,0,0,0,0|1,0,0]=3 32890 B14R1.123 C=CCCCCNCc1ccccc1 34a_100015324214_100011215482 [0,2,0,0,0,0|1,0,0]=3 32891 B14R1.123 C=CCCCCNCc1ccccn1 207a_100000703577_100000209966 [0,2,0,0,0,0|2,0,0]=4 32892 B14R1.123 C=CCCCCNCc1ccccn1 2230a_100000703577_100000721315 [0,2,0,0,0,0|2,0,0]=4 32893 B14R1.123 C=CCCCCNCc1ccccn1 270004a_100000703577_100000209966 [0,2,0,0,0,0|2,0,0]=4 32894 B14R1.123 C=CCCCCNCc1ccccn1 34a_100000703577_100000721315 [0,2,0,0,0,0|2,0,0]=4 32895 B14R1.123 C=CCCCCNCc1cccnc1 207a_100000703577_100000209961 [0,2,0,0,0,0|2,0,0]=4 32896 B14R1.123 C=CCCCCNCc1cccnc1 2230a_100000703577_100000741622 [0,2,0,0,0,0|2,0,0]=4 32897 B14R1.123 C=CCCCCNCc1cccnc1 270004a_100000703577_100000209961 [0,2,0,0,0,0|2,0,0]=4 32898 B14R1.123 C=CCCCCNCc1cccnc1 34a_100000703577_100000733263 [0,2,0,0,0,0|2,0,0]=4 32899 B14R1.123 C=CCCCCNCc1ccncc1 207a_100000703577_100000186114 [0,2,0,0,0,0|2,0,0]=4 32900 B14R1.123 C=CCCCCNCc1ccncc1 2230a_100000703577_100015193705 [0,2,0,0,0,0|2,0,0]=4 32901 B14R1.123 C=CCCCCOCc1ccccc1 34a_100000210790_100011215482 [0,2,0,0,0,0|1,0,0]=3 32902 B14R1.123 C=CCCCCOCc1ccccc1 34a_100000766645_100015291786 [0,2,0,0,0,0|1,0,0]=3 32903 B14R1.123 C=CCCCCOCc1ccccc1 7a_100000210790_100011215482 [0,2,0,0,0,0|1,0,0]=3 32904 B14R1.123 C=CCCCCOCc1ccccc1 7a_100000766645_100000211182 [0,2,0,0,0,0|1,0,0]=3 32905 B14R1.123 C=CCCCCOCc1ccccn1 34a_100000766645_100000721315 [0,2,0,0,0,0|2,0,0]=4 32906 B14R1.123 C=CCCCCOCc1ccccn1 7a_100000766645_100000721315 [0,2,0,0,0,0|2,0,0]=4 32907 B14R1.123 C=CCCCCOCc1cccnc1 34a_100000766645_100000733263 [0,2,0,0,0,0|2,0,0]=4 32908 B14R1.123 C=CCCCCOCc1cccnc1 7a_100000766645_100000741622 [0,2,0,0,0,0|2,0,0]=4 32909 B14R1.123 C=CCCCCOCc1ccncc1 7a_100000766645_100015193705 [0,2,0,0,0,0|2,0,0]=4 32910 B14R1.123 C=CCCCCSCc1ccccc1 62a_100000211182_100011215482 [0,2,0,0,0,0|1,0,0]=3 32911 B14R1.123 C=CCCCCSCc1ccccc1 62a_100011215482_100015291786 [0,2,0,0,0,0|1,0,0]=3 32912 B14R1.123 C=CCCCCSCc1ccccn1 62a_100000721315_100011215482 [0,2,0,0,0,0|2,0,0]=4 32913 B14R1.123 C=CCCCCSCc1ccccn1 62a_100011215482_100000721315 [0,2,0,0,0,0|2,0,0]=4 32914 B14R1.123 C=CCCCCSCc1cccnc1 62a_100000741622_100011215482 [0,2,0,0,0,0|2,0,0]=4 32915 B14R1.123 C=CCCCCSCc1cccnc1 62a_100011215482_100000741622 [0,2,0,0,0,0|2,0,0]=4 32916 B14R1.123 C=CCCCCSCc1ccncc1 62a_100011215482_100015193705 [0,2,0,0,0,0|2,0,0]=4 32917 B14R1.123 C=CCCCCSCc1ccncc1 62a_100015193705_100011215482 [0,2,0,0,0,0|2,0,0]=4 32918 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000106460_100011713584 [0,2,0,0,0,0|1,0,0]=3 32919 B14R1.123 C=CCCCNCCc1ccccc1 2230a_100000700776_100000765856 [0,2,0,0,0,0|1,0,0]=3 32920 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000106460_100000757094 [0,2,0,0,0,0|1,0,0]=3 32921 B14R1.123 C=CCCCNCCc1ccccc1 34a_100000700776_100000765856 [0,2,0,0,0,0|1,0,0]=3 32922 B14R1.123 C=CCCCNCCc1ccccn1 2230a_100000700776_100015183660 [0,2,0,0,0,0|2,0,0]=4 32923 B14R1.123 C=CCCCNCCc1cccnc1 2230a_100000700776_200011713674 [0,2,0,0,0,0|2,0,0]=4 32924 B14R1.123 C=CCCCNCCc1cccnc1 2230a_100000736294_100011713584 [0,2,0,0,0,0|2,0,0]=4 32925 B14R1.123 C=CCCCNCCc1ccncc1 2230a_100000700776_100000723409 [0,2,0,0,0,0|2,0,0]=4 32926 B14R1.123 C=CCCCNCSc1ccccc1 2230a_100000700776_100011218342 [0,2,0,0,0,0|1,0,1]=4 32927 B14R1.123 C=CCCCOCCc1ccccc1 34a_100000210268_100000757094 [0,2,0,0,0,0|1,0,0]=3 32928 B14R1.123 C=CCCCOCCc1ccccc1 34a_100000758997_100000765856 [0,2,0,0,0,0|1,0,0]=3 32929 B14R1.123 C=CCCCOCCc1ccccc1 7a_100000210268_100000757094 [0,2,0,0,0,0|1,0,0]=3 32930 B14R1.123 C=CCCCOCCc1ccccc1 7a_100000758997_100000765856 [0,2,0,0,0,0|1,0,0]=3 32931 B14R1.123 C=CCCCOCCc1ccccn1 34a_100000210271_100000757094 [0,2,0,0,0,0|2,0,0]=4 32932 B14R1.123 C=CCCCOCCc1ccccn1 7a_100000758997_100015183660 [0,2,0,0,0,0|2,0,0]=4 32933 B14R1.123 C=CCCCOCCc1cccnc1 34a_100011217484_100000757094 [0,2,0,0,0,0|2,0,0]=4 32934 B14R1.123 C=CCCCOCCc1cccnc1 7a_100000758997_200011713674 [0,2,0,0,0,0|2,0,0]=4 32935 B14R1.123 C=CCCCOCCc1ccncc1 34a_100011216225_100000757094 [0,2,0,0,0,0|2,0,0]=4 32936 B14R1.123 C=CCCCOCCc1ccncc1 7a_100000758997_100000723409 [0,2,0,0,0,0|2,0,0]=4 32937 B14R1.123 C=CCCCSCCc1ccccc1 62a_100000765856_100000757094 [0,2,0,0,0,0|1,0,0]=3 32938 B14R1.123 C=CCCCSCCc1ccccc1 62a_100011713584_100011218657 [0,2,0,0,0,0|1,0,0]=3 32939 B14R1.123 C=CCCCSCCc1ccccn1 62a_100011713584_100015183660 [0,2,0,0,0,0|2,0,0]=4 32940 B14R1.123 C=CCCCSCCc1ccccn1 62a_100015183660_100000757094 [0,2,0,0,0,0|2,0,0]=4 32941 B14R1.123 C=CCCCSCCc1cccnc1 62a_100011713584_200011713674 [0,2,0,0,0,0|2,0,0]=4 32942 B14R1.123 C=CCCCSCCc1cccnc1 62a_200011713674_100000757094 [0,2,0,0,0,0|2,0,0]=4 32943 B14R1.123 C=CCCCSCCc1ccncc1 62a_100000723409_100000757094 [0,2,0,0,0,0|2,0,0]=4 32944 B14R1.123 C=CCCCSCCc1ccncc1 62a_100011713584_100000723409 [0,2,0,0,0,0|2,0,0]=4 32945 B14R1.123 C=CCCCSCSc1ccccc1 62a_100011218342_100000757094 [0,2,0,0,0,0|1,0,1]=4 32946 B14R1.123 C=CCCCSCSc1ccccc1 62a_100011713584_100011218342 [0,2,0,0,0,0|1,0,1]=4 32947 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100000211184_100000754431 [0,2,0,0,0,0|1,0,0]=3 32948 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100015191253_100000211621 [0,2,0,0,0,0|1,0,0]=3 32949 B14R1.123 C=CCCNCCCc1ccccc1 34a_100000211184_100000754431 [0,2,0,0,0,0|1,0,0]=3 32950 B14R1.123 C=CCCNCCCc1cccnc1 2230a_100011532358_100000754431 [0,2,0,0,0,0|2,0,0]=4 32951 B14R1.123 C=CCCNCCCc1cccnc1 34a_100011532358_100000754431 [0,2,0,0,0,0|2,0,0]=4 32952 B14R1.123 C=CCCNCCCc1ccncc1 2230a_100011275580_100000754431 [0,2,0,0,0,0|2,0,0]=4 32953 B14R1.123 C=CCCNCCOc1ccccc1 2230a_100000174943_100000754431 [0,2,0,0,0,0|1,0,1]=4 32954 B14R1.123 C=CCCNCCOc1ccccc1 2230a_100015191253_100000184471 [0,2,0,0,0,0|1,0,1]=4 32955 B14R1.123 C=CCCNCCOc1ccccc1 270004a_100015191253_100000758736 [0,2,0,0,0,0|1,0,1]=4 32956 B14R1.123 C=CCCNCCOc1ccccc1 34a_100000174943_100000754431 [0,2,0,0,0,0|1,0,1]=4 32957 B14R1.123 C=CCCNCCSc1ccccc1 2230a_100000189519_100000754431 [0,2,0,0,0,0|1,0,1]=4 32958 B14R1.123 C=CCCNCCSc1ccccc1 2230a_100015191253_100000246102 [0,2,0,0,0,0|1,0,1]=4 32959 B14R1.123 C=CCCNCOCc1ccccc1 2230a_100015191253_100000763385 [0,2,0,0,0,0|1,0,1]=4 32960 B14R1.123 C=CCCNCSCc1ccccc1 2230a_100015191253_200011217039 [0,2,0,0,0,0|1,0,1]=4 32961 B14R1.123 C=CCCOCCCc1ccccc1 34a_100000210828_100000754431 [0,2,0,0,0,0|1,0,0]=3 32962 B14R1.123 C=CCCOCCCc1ccccc1 34a_100011205117_100000211621 [0,2,0,0,0,0|1,0,0]=3 32963 B14R1.123 C=CCCOCCCc1ccccc1 7a_100000210828_100000754431 [0,2,0,0,0,0|1,0,0]=3 32964 B14R1.123 C=CCCOCCCc1ccccn1 34a_100011215068_100000754431 [0,2,0,0,0,0|2,0,0]=4 32965 B14R1.123 C=CCCOCCCc1cccnc1 34a_100000211284_100000754431 [0,2,0,0,0,0|2,0,0]=4 32966 B14R1.123 C=CCCOCCCc1ccncc1 34a_100000210659_100000754431 [0,2,0,0,0,0|2,0,0]=4 32967 B14R1.123 C=CCCOCCNc1ccccc1 34a_100000211345_100000754431 [0,2,0,0,0,0|1,0,1]=4 32968 B14R1.123 C=CCCOCCOc1ccccc1 34a_100000210260_100000754431 [0,2,0,0,0,0|1,0,1]=4 32969 B14R1.123 C=CCCOCCOc1ccccc1 34a_100011205117_100000184471 [0,2,0,0,0,0|1,0,1]=4 32970 B14R1.123 C=CCCOCCOc1ccccc1 7a_100000210260_100000754431 [0,2,0,0,0,0|1,0,1]=4 32971 B14R1.123 C=CCCOCCSc1ccccc1 34a_100011205117_100000246102 [0,2,0,0,0,0|1,0,1]=4 32972 B14R1.123 C=CCCOCCSc1ccccc1 7a_100000230494_100000754431 [0,2,0,0,0,0|1,0,1]=4 32973 B14R1.123 C=CCCOCOCc1ccccc1 34a_100011205117_100000763385 [0,2,0,0,0,0|1,0,1]=4 32974 B14R1.123 C=CCCOCSCc1ccccc1 34a_100011205117_200011217039 [0,2,0,0,0,0|1,0,1]=4 32975 B14R1.123 C=CCCSCCCc1ccccc1 62a_100000211621_100000754431 [0,2,0,0,0,0|1,0,0]=3 32976 B14R1.123 C=CCCSCCCc1ccccc1 62a_100000754431_100000211621 [0,2,0,0,0,0|1,0,0]=3 32977 B14R1.123 C=CCCSCCOc1ccccc1 62a_100000184471_100000754431 [0,2,0,0,0,0|1,0,1]=4 32978 B14R1.123 C=CCCSCCOc1ccccc1 62a_100000754431_100000184471 [0,2,0,0,0,0|1,0,1]=4 32979 B14R1.123 C=CCCSCCSc1ccccc1 62a_100000246102_100000754431 [0,2,0,0,0,0|1,0,1]=4 32980 B14R1.123 C=CCCSCCSc1ccccc1 62a_100000754431_100000246102 [0,2,0,0,0,0|1,0,1]=4 32981 B14R1.123 C=CCCSCOCc1ccccc1 62a_100000754431_100000763385 [0,2,0,0,0,0|1,0,1]=4 32982 B14R1.123 C=CCCSCOCc1ccccc1 62a_100000763385_100000754431 [0,2,0,0,0,0|1,0,1]=4 32983 B14R1.123 C=CCCSCSCc1ccccc1 62a_100000754431_200011217039 [0,2,0,0,0,0|1,0,1]=4 32984 B14R1.123 C=CCCSCSCc1ccccc1 62a_200011217039_100000754431 [0,2,0,0,0,0|1,0,1]=4 32985 B14R1.123 C=CCNCCCCc1ccccc1 2230a_100015280158_100000210623 [0,2,0,0,0,0|1,0,0]=3 32986 B14R1.123 C=CCNCCCCc1ccccc1 2230a_100020586998_100000701786 [0,2,0,0,0,0|1,0,0]=3 32987 B14R1.123 C=CCNCCCCc1ccccc1 34a_100015280158_100015514636 [0,2,0,0,0,0|1,0,0]=3 32988 B14R1.123 C=CCNCCCCc1ccncc1 2230a_100020586998_100020630000 [0,2,0,0,0,0|2,0,0]=4 32989 B14R1.123 C=CCNCCCOc1ccccc1 2230a_100000216521_100000210623 [0,2,0,0,0,0|1,0,1]=4 32990 B14R1.123 C=CCNCCCOc1ccccc1 2230a_100020586998_100000199009 [0,2,0,0,0,0|1,0,1]=4 32991 B14R1.123 C=CCNCCCOc1ccccc1 34a_100000216521_100015514636 [0,2,0,0,0,0|1,0,1]=4 32992 B14R1.123 C=CCNCCCSc1ccccc1 2230a_100000184639_100000210623 [0,2,0,0,0,0|1,0,1]=4 32993 B14R1.123 C=CCNCCCSc1ccccc1 2230a_100020586998_200011203293 [0,2,0,0,0,0|1,0,1]=4 32994 B14R1.123 C=CCNCCOCc1ccccc1 2230a_100000753106_100000210623 [0,2,0,0,0,0|1,0,1]=4 32995 B14R1.123 C=CCNCCOCc1ccccc1 2230a_100020586998_100000234347 [0,2,0,0,0,0|1,0,1]=4 32996 B14R1.123 C=CCNCCOCc1ccccc1 34a_100000753106_100015514636 [0,2,0,0,0,0|1,0,1]=4 32997 B14R1.123 C=CCNCCSCc1ccccc1 2230a_100000189534_100000210623 [0,2,0,0,0,0|1,0,1]=4 32998 B14R1.123 C=CCNCCSCc1ccccc1 2230a_100020586998_200011297719 [0,2,0,0,0,0|1,0,1]=4 32999 B14R1.123 C=CCNCCSCc1ccccc1 34a_100000189534_100015514636 [0,2,0,0,0,0|1,0,1]=4 33000 B14R1.123 C=CCNCCSCc1ccccc1 7a_100000189534_100015514636 [0,2,0,0,0,0|1,0,1]=4 33001 B14R1.123 C=CCOCCCCc1ccccc1 34a_100000703073_100015514636 [0,2,0,0,0,0|1,0,0]=3 33002 B14R1.123 C=CCOCCCCc1ccccc1 34a_200000210373_100000701786 [0,2,0,0,0,0|1,0,0]=3 33003 B14R1.123 C=CCOCCCCc1ccccc1 7a_100000703073_100015514636 [0,2,0,0,0,0|1,0,0]=3 33004 B14R1.123 C=CCOCCCCc1ccccn1 34a_100012186994_100015514636 [0,2,0,0,0,0|2,0,0]=4 33005 B14R1.123 C=CCOCCCCc1cccnc1 34a_100012039607_100015514636 [0,2,0,0,0,0|2,0,0]=4 33006 B14R1.123 C=CCOCCCCc1cccnc1 7a_100012039607_100015514636 [0,2,0,0,0,0|2,0,0]=4 33007 B14R1.123 C=CCOCCCCc1ccncc1 34a_100011787716_100015514636 [0,2,0,0,0,0|2,0,0]=4 33008 B14R1.123 C=CCOCCCNc1ccccc1 34a_100000212590_100015514636 [0,2,0,0,0,0|1,0,1]=4 33009 B14R1.123 C=CCOCCCOc1ccccc1 34a_100011215863_100015514636 [0,2,0,0,0,0|1,0,1]=4 33010 B14R1.123 C=CCOCCCOc1ccccc1 34a_200000210373_100000199009 [0,2,0,0,0,0|1,0,1]=4 33011 B14R1.123 C=CCOCCCOc1ccccc1 7a_100011215863_100015514636 [0,2,0,0,0,0|1,0,1]=4 33012 B14R1.123 C=CCOCCCSc1ccccc1 34a_200000210373_200011203293 [0,2,0,0,0,0|1,0,1]=4 33013 B14R1.123 C=CCOCCNCc1ccccc1 34a_100000180844_100015514636 [0,2,0,0,0,0|1,0,1]=4 33014 B14R1.123 C=CCOCCOCc1ccccc1 34a_100000037705_100015291786 [0,2,0,0,0,0|1,0,1]=4 33015 B14R1.123 C=CCOCCOCc1ccccc1 34a_100000759325_100015514636 [0,2,0,0,0,0|1,0,1]=4 33016 B14R1.123 C=CCOCCOCc1ccccc1 34a_200000210373_100000234347 [0,2,0,0,0,0|1,0,1]=4 33017 B14R1.123 C=CCOCCOCc1ccccc1 7a_100000037705_100000211182 [0,2,0,0,0,0|1,0,1]=4 33018 B14R1.123 C=CCOCCOCc1ccccc1 7a_100000759325_100015514636 [0,2,0,0,0,0|1,0,1]=4 33019 B14R1.123 C=CCOCCSCc1ccccc1 34a_100011205989_100015514636 [0,2,0,0,0,0|1,0,1]=4 33020 B14R1.123 C=CCOCCSCc1ccccc1 34a_200000210373_200011297719 [0,2,0,0,0,0|1,0,1]=4 33021 B14R1.123 C=CCOCCSCc1ccccc1 7a_100011205989_100015514636 [0,2,0,0,0,0|1,0,1]=4 33022 B14R1.123 C=CCSCCCCc1ccccc1 62a_100000210623_100000701786 [0,2,0,0,0,0|1,0,0]=3 33023 B14R1.123 C=CCSCCCCc1ccccc1 62a_100000701786_100000210623 [0,2,0,0,0,0|1,0,0]=3 33024 B14R1.123 C=CCSCCCCc1ccncc1 62a_100000210623_100020630000 [0,2,0,0,0,0|2,0,0]=4 33025 B14R1.123 C=CCSCCCCc1ccncc1 62a_100020630000_100000210623 [0,2,0,0,0,0|2,0,0]=4 33026 B14R1.123 C=CCSCCCOc1ccccc1 62a_100000199009_100000210623 [0,2,0,0,0,0|1,0,1]=4 33027 B14R1.123 C=CCSCCCOc1ccccc1 62a_100000210623_100000199009 [0,2,0,0,0,0|1,0,1]=4 33028 B14R1.123 C=CCSCCCSc1ccccc1 62a_100000210623_200011203293 [0,2,0,0,0,0|1,0,1]=4 33029 B14R1.123 C=CCSCCCSc1ccccc1 62a_200011203293_100000210623 [0,2,0,0,0,0|1,0,1]=4 33030 B14R1.123 C=CCSCCOCc1ccccc1 62a_100000210623_100000234347 [0,2,0,0,0,0|1,0,1]=4 33031 B14R1.123 C=CCSCCOCc1ccccc1 62a_100000234347_100000210623 [0,2,0,0,0,0|1,0,1]=4 33032 B14R1.123 C=CCSCCSCc1ccccc1 62a_100000210623_200011297719 [0,2,0,0,0,0|1,0,1]=4 33033 B14R1.123 C=CCSCCSCc1ccccc1 62a_200011297719_100000210623 [0,2,0,0,0,0|1,0,1]=4 33034 B14R1.123 C=COCCCNCc1ccccc1 207a_100000210767_100015611070 [0,2,0,0,0,0|1,0,0]=3 33035 B14R1.123 C=COCCCNCc1ccccc1 2230a_100000210767_100015291786 [0,2,0,0,0,0|1,0,0]=3 33036 B14R1.123 C=COCCCNCc1ccccc1 270004a_100000210767_100015611070 [0,2,0,0,0,0|1,0,0]=3 33037 B14R1.123 C=COCCCNCc1ccccc1 34a_100000210767_100015291786 [0,2,0,0,0,0|1,0,0]=3 33038 B14R1.123 C=COCCCNCc1ccccn1 207a_100000210767_100000209966 [0,2,0,0,0,0|2,0,0]=4 33039 B14R1.123 C=COCCCNCc1ccccn1 2230a_100000210767_100000721315 [0,2,0,0,0,0|2,0,0]=4 33040 B14R1.123 C=COCCCNCc1ccccn1 270004a_100000210767_100000209966 [0,2,0,0,0,0|2,0,0]=4 33041 B14R1.123 C=COCCCNCc1ccccn1 34a_100000210767_100000721315 [0,2,0,0,0,0|2,0,0]=4 33042 B14R1.123 C=COCCCNCc1cccnc1 207a_100000210767_100000209961 [0,2,0,0,0,0|2,0,0]=4 33043 B14R1.123 C=COCCCNCc1cccnc1 2230a_100000210767_100000741622 [0,2,0,0,0,0|2,0,0]=4 33044 B14R1.123 C=COCCCNCc1cccnc1 270004a_100000210767_100000209961 [0,2,0,0,0,0|2,0,0]=4 33045 B14R1.123 C=COCCCNCc1cccnc1 34a_100000210767_100000733263 [0,2,0,0,0,0|2,0,0]=4 33046 B14R1.123 C=COCCCNCc1ccncc1 207a_100000210767_100000186114 [0,2,0,0,0,0|2,0,0]=4 33047 B14R1.123 C=COCCCNCc1ccncc1 2230a_100000210767_100015193705 [0,2,0,0,0,0|2,0,0]=4 33048 B14R1.123 C=COCCNCCc1ccccc1 2230a_100000106460_100000039644 [0,2,0,0,0,0|1,0,0]=3 33049 B14R1.123 C=COCCNCCc1ccccc1 34a_100000106460_100000039644 [0,2,0,0,0,0|1,0,0]=3 33050 B14R1.123 C=COCCNCCc1cccnc1 2230a_100000736294_100000039644 [0,2,0,0,0,0|2,0,0]=4 33051 B14R1.123 C=COCCOCCc1ccccc1 34a_100000033082_100000765856 [0,2,0,0,0,0|1,0,0]=3 33052 B14R1.123 C=COCCOCCc1ccccc1 34a_100000210268_100000039644 [0,2,0,0,0,0|1,0,0]=3 33053 B14R1.123 C=COCCOCCc1ccccc1 7a_100000210268_100000039644 [0,2,0,0,0,0|1,0,0]=3 33054 B14R1.123 C=COCCOCCc1ccccn1 34a_100000210271_100000039644 [0,2,0,0,0,0|2,0,0]=4 33055 B14R1.123 C=COCCOCCc1cccnc1 34a_100011217484_100000039644 [0,2,0,0,0,0|2,0,0]=4 33056 B14R1.123 C=COCCOCCc1ccncc1 34a_100011216225_100000039644 [0,2,0,0,0,0|2,0,0]=4 33057 B14R1.123 C=COCCSCCc1ccccc1 62a_100000039644_100011218657 [0,2,0,0,0,0|1,0,0]=3 33058 B14R1.123 C=COCCSCCc1ccccc1 62a_100000765856_100000039644 [0,2,0,0,0,0|1,0,0]=3 33059 B14R1.123 C=COCCSCCc1ccccn1 62a_100000039644_100015183660 [0,2,0,0,0,0|2,0,0]=4 33060 B14R1.123 C=COCCSCCc1ccccn1 62a_100015183660_100000039644 [0,2,0,0,0,0|2,0,0]=4 33061 B14R1.123 C=COCCSCCc1cccnc1 62a_100000039644_200011713674 [0,2,0,0,0,0|2,0,0]=4 33062 B14R1.123 C=COCCSCCc1cccnc1 62a_200011713674_100000039644 [0,2,0,0,0,0|2,0,0]=4 33063 B14R1.123 C=COCCSCCc1ccncc1 62a_100000039644_100000723409 [0,2,0,0,0,0|2,0,0]=4 33064 B14R1.123 C=COCCSCCc1ccncc1 62a_100000723409_100000039644 [0,2,0,0,0,0|2,0,0]=4 33065 B14R1.123 C=COCCSCSc1ccccc1 62a_100000039644_100011218342 [0,2,0,0,0,0|2,0,0]=4 33066 B14R1.123 C=COCCSCSc1ccccc1 62a_100011218342_100000039644 [0,2,0,0,0,0|2,0,0]=4 33067 B14R1.123 CC#CCCOCCc1ccccc1 34a_100000750427_100000765856 [0,2,0,0,0,0|1,0,1]=4 33068 B14R1.123 CC#CCNCCCc1ccccc1 2230a_100000211184_100000748600 [0,2,0,0,0,0|1,0,1]=4 33069 B14R1.123 CC#CCNCCCc1ccccc1 2230a_100000685387_100000211621 [0,2,0,0,0,0|1,0,1]=4 33070 B14R1.123 CC#CCNCCCc1ccccc1 34a_100000211184_100000748600 [0,2,0,0,0,0|1,0,1]=4 33071 B14R1.123 CC#CCNCCCc1ccccc1 34a_100000685387_100000211621 [0,2,0,0,0,0|1,0,1]=4 33072 B14R1.123 CC#CCOCCCc1ccccc1 34a_100000210828_100000748600 [0,2,0,0,0,0|1,0,1]=4 33073 B14R1.123 CC#CCOCCCc1ccccc1 34a_100000761923_100000211621 [0,2,0,0,0,0|1,0,1]=4 33074 B14R1.123 CC#CCOCCCc1ccccc1 7a_100000210828_100000748600 [0,2,0,0,0,0|1,0,1]=4 33075 B14R1.123 CC#CCSCCCc1ccccc1 62a_100000211621_100000748600 [0,2,0,0,0,0|1,0,1]=4 33076 B14R1.123 CC#CCSCCCc1ccccc1 62a_100000748600_100000211621 [0,2,0,0,0,0|1,0,1]=4 33077 B14R1.123 CC/C=C\CCNCc1ccccc1 2230a_100015324214_100015370543 [0,2,0,0,0,0|1,0,1]=4 33078 B14R1.123 CC/C=C\CCNCc1ccccc1 34a_100015324214_100015370543 [0,2,0,0,0,0|1,0,1]=4 33079 B14R1.123 CC/C=C\CCOCc1ccccc1 34a_100000210790_100015370543 [0,2,0,0,0,0|1,0,1]=4 33080 B14R1.123 CC/C=C\CCOCc1ccccc1 34a_100016288707_100015291786 [0,2,0,0,0,0|1,0,1]=4 33081 B14R1.123 CC/C=C\CCOCc1ccccc1 7a_100000210790_100015370543 [0,2,0,0,0,0|1,0,1]=4 33082 B14R1.123 CC/C=C\CCOCc1ccccc1 7a_100016288707_100000211182 [0,2,0,0,0,0|1,0,1]=4 33083 B14R1.123 CC/C=C\CCSCc1ccccc1 62a_100000211182_100015370543 [0,2,0,0,0,0|1,0,1]=4 33084 B14R1.123 CC/C=C\CCSCc1ccccc1 62a_100015370543_100015291786 [0,2,0,0,0,0|1,0,1]=4 33085 B14R1.123 CC/C=C\CNCCc1ccccc1 2230a_100000106460_100103147603 [0,2,0,0,0,0|1,0,1]=4 33086 B14R1.123 CC/C=C\CNCCc1ccccc1 34a_100000106460_100103147603 [0,2,0,0,0,0|1,0,1]=4 33087 B14R1.123 CC/C=C\COCCc1ccccc1 34a_100000210268_100103147603 [0,2,0,0,0,0|1,0,1]=4 33088 B14R1.123 CC/C=C\COCCc1ccccc1 34a_100016268518_100000765856 [0,2,0,0,0,0|1,0,1]=4 33089 B14R1.123 CC/C=C\COCCc1ccccc1 7a_100000210268_100103147603 [0,2,0,0,0,0|1,0,1]=4 33090 B14R1.123 CC/C=C\CSCCc1ccccc1 62a_100000765856_100103147603 [0,2,0,0,0,0|1,0,1]=4 33091 B14R1.123 CC/C=C\CSCCc1ccccc1 62a_100103147603_100011218657 [0,2,0,0,0,0|1,0,1]=4 33092 B14R1.123 CC=CCCCOCc1ccccc1 34a_100020645299_100015291786 [0,2,0,0,0,0|1,0,1]=4 33093 B14R1.123 CC=CCNCCCc1ccccc1 2230a_100000211184_100000070051 [0,2,0,0,0,0|1,0,1]=4 33094 B14R1.123 CC=CCNCCCc1ccccc1 34a_100000211184_100000070051 [0,2,0,0,0,0|1,0,1]=4 33095 B14R1.123 CC=CCOCCCc1ccccc1 34a_100000210828_100000070051 [0,2,0,0,0,0|1,0,1]=4 33096 B14R1.123 CC=CCOCCCc1ccccc1 7a_100000210828_100000070051 [0,2,0,0,0,0|1,0,1]=4 33097 B14R1.123 CC=CCSCCCc1ccccc1 62a_100000070051_100000211621 [0,2,0,0,0,0|1,0,1]=4 33098 B14R1.123 CC=CCSCCCc1ccccc1 62a_100000211621_100000070051 [0,2,0,0,0,0|1,0,1]=4 33099 B14R1.123 CCC#CCCOCc1ccccc1 34a_100000036655_100015291786 [0,2,0,0,0,0|1,0,1]=4 33100 B14R1.123 CCC#CCCOCc1ccccc1 7a_100000036655_100000211182 [0,2,0,0,0,0|1,0,1]=4 33101 B14R1.123 CCC#CCNCCc1ccccc1 2230a_100000106460_100009813939 [0,2,0,0,0,0|1,0,1]=4 33102 B14R1.123 CCC#CCNCCc1ccccc1 34a_100000106460_100009813939 [0,2,0,0,0,0|1,0,1]=4 33103 B14R1.123 CCC#CCOCCc1ccccc1 34a_100000032950_100000765856 [0,2,0,0,0,0|1,0,1]=4 33104 B14R1.123 CCC#CCOCCc1ccccc1 34a_100000210268_100009813939 [0,2,0,0,0,0|1,0,1]=4 33105 B14R1.123 CCC#CCOCCc1ccccc1 7a_100000210268_100009813939 [0,2,0,0,0,0|1,0,1]=4 33106 B14R1.123 CCC#CCSCCc1ccccc1 62a_100000765856_100009813939 [0,2,0,0,0,0|1,0,1]=4 33107 B14R1.123 CCC#CCSCCc1ccccc1 62a_100009813939_100011218657 [0,2,0,0,0,0|1,0,1]=4 33108 B14R1.123 CCC/C=C/COCc1ccccc1 34a_100016278788_100015291786 [0,2,0,0,0,0|1,0,1]=4 33109 B14R1.123 CCC/C=C/COCc1ccccc1 7a_100016278788_100000211182 [0,2,0,0,0,0|1,0,1]=4 33110 B14R1.123 CCCC#CCOCc1ccccc1 34a_100000034806_100015291786 [0,2,0,0,0,0|1,0,1]=4 33111 B14R1.123 CCCC#CCOCc1ccccc1 7a_100000034806_100000211182 [0,2,0,0,0,0|1,0,1]=4 33112 B14R1.123 CCCC=NNCCc1ccccc1 4a_100000740470_100000185831 [0,2,0,0,0,0|1,0,1]=4 33113 B14R1.123 CCCCC=NNCc1ccccc1 4a_100000007032_100000210104 [0,2,0,0,0,0|1,0,1]=4 33114 B14R1.123 CCCCCC=NNc1ccccc1 4a_100015195140_100000737632 [0,2,0,0,0,0|1,0,1]=4 33115 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [0,2,0,0,0,0|1,0,0]=3 33116 B14R1.123 CCCCCCC=Cc1ccccn1 271570a_200015348155_100011216584 [0,2,0,0,0,0|2,0,0]=4 33117 B14R1.123 CCCCCCC=Cc1cccnc1 271570a_200015348155_100000752921 [0,2,0,0,0,0|2,0,0]=4 33118 B14R1.123 CCCCCCC=Cc1ccncc1 271570a_200015348155_100000035832 [0,2,0,0,0,0|2,0,0]=4 33119 B14R1.123 CCCCCCCNc1ccccc1 34a_100000106764_100000210614 [0,2,0,0,0,0|1,0,0]=3 33120 B14R1.123 CCCCCCCOc1ccccc1 34a_100000210340_100000210614 [0,2,0,0,0,0|1,0,0]=3 33121 B14R1.123 CCCCCCCOc1ccccc1 7a_100000210340_100000210614 [0,2,0,0,0,0|1,0,0]=3 33122 B14R1.123 CCCCCCCOc1cccnc1 34a_100000210849_100000210614 [0,2,0,0,0,0|2,0,0]=4 33123 B14R1.123 CCCCCCCOc1cccnc1 7a_100000210849_100000210614 [0,2,0,0,0,0|2,0,0]=4 33124 B14R1.123 CCCCCCCOc1ccncc1 34a_100000212176_100000210614 [0,2,0,0,0,0|2,0,0]=4 33125 B14R1.123 CCCCCCCSc1ccccc1 62a_100000210614_100000041952 [0,2,0,0,0,0|1,0,0]=3 33126 B14R1.123 CCCCCCCSc1ccccc1 62a_100000719477_100000210316 [0,2,0,0,0,0|1,0,0]=3 33127 B14R1.123 CCCCCCCSc1ccccn1 62a_100000210614_100011216584 [0,2,0,0,0,0|2,0,0]=4 33128 B14R1.123 CCCCCCCSc1ccccn1 62a_100011216584_100000210316 [0,2,0,0,0,0|2,0,0]=4 33129 B14R1.123 CCCCCCCSc1cccnc1 62a_100000210063_100000210316 [0,2,0,0,0,0|2,0,0]=4 33130 B14R1.123 CCCCCCCSc1cccnc1 62a_100000210614_100000210063 [0,2,0,0,0,0|2,0,0]=4 33131 B14R1.123 CCCCCCCSc1ccncc1 62a_100000210614_100000728582 [0,2,0,0,0,0|2,0,0]=4 33132 B14R1.123 CCCCCCCSc1ccncc1 62a_100000728582_100000210316 [0,2,0,0,0,0|2,0,0]=4 33133 B14R1.123 CCCCCCNCc1ccccc1 207a_100000210581_100015611070 [0,2,0,0,0,0|1,0,0]=3 33134 B14R1.123 CCCCCCNCc1ccccc1 2230a_100000210581_100015291786 [0,2,0,0,0,0|1,0,0]=3 33135 B14R1.123 CCCCCCNCc1ccccc1 2230a_100015324214_100000210314 [0,2,0,0,0,0|1,0,0]=3 33136 B14R1.123 CCCCCCNCc1ccccc1 270004a_100000210581_100015611070 [0,2,0,0,0,0|1,0,0]=3 33137 B14R1.123 CCCCCCNCc1ccccc1 34a_100015324214_100000210314 [0,2,0,0,0,0|1,0,0]=3 33138 B14R1.123 CCCCCCNCc1ccccn1 207a_100000210581_100000209966 [0,2,0,0,0,0|2,0,0]=4 33139 B14R1.123 CCCCCCNCc1ccccn1 2230a_100000210581_100000721315 [0,2,0,0,0,0|2,0,0]=4 33140 B14R1.123 CCCCCCNCc1ccccn1 270004a_100000210581_100000209966 [0,2,0,0,0,0|2,0,0]=4 33141 B14R1.123 CCCCCCNCc1cccnc1 207a_100000210581_100000209961 [0,2,0,0,0,0|2,0,0]=4 33142 B14R1.123 CCCCCCNCc1cccnc1 2230a_100000210581_100000741622 [0,2,0,0,0,0|2,0,0]=4 33143 B14R1.123 CCCCCCNCc1cccnc1 270004a_100000210581_100000209961 [0,2,0,0,0,0|2,0,0]=4 33144 B14R1.123 CCCCCCNCc1ccncc1 207a_100000210581_100000186114 [0,2,0,0,0,0|2,0,0]=4 33145 B14R1.123 CCCCCCNCc1ccncc1 2230a_100000210581_100015193705 [0,2,0,0,0,0|2,0,0]=4 33146 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210259_100015291786 [0,2,0,0,0,0|1,0,0]=3 33147 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210790_100000210314 [0,2,0,0,0,0|1,0,0]=3 33148 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210259_100000211182 [0,2,0,0,0,0|1,0,0]=3 33149 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210790_100000210314 [0,2,0,0,0,0|1,0,0]=3 33150 B14R1.123 CCCCCCOCc1ccccn1 34a_100000210259_100000721315 [0,2,0,0,0,0|2,0,0]=4 33151 B14R1.123 CCCCCCOCc1ccccn1 7a_100000210259_100000721315 [0,2,0,0,0,0|2,0,0]=4 33152 B14R1.123 CCCCCCOCc1cccnc1 34a_100000210259_100000733263 [0,2,0,0,0,0|2,0,0]=4 33153 B14R1.123 CCCCCCOCc1cccnc1 7a_100000210259_100000741622 [0,2,0,0,0,0|2,0,0]=4 33154 B14R1.123 CCCCCCOCc1ccncc1 7a_100000210259_100015193705 [0,2,0,0,0,0|2,0,0]=4 33155 B14R1.123 CCCCCCSCc1ccccc1 62a_100000210314_100015291786 [0,2,0,0,0,0|1,0,0]=3 33156 B14R1.123 CCCCCCSCc1ccccc1 62a_100000211182_100000210757 [0,2,0,0,0,0|1,0,0]=3 33157 B14R1.123 CCCCCCSCc1ccccn1 62a_100000210314_100000721315 [0,2,0,0,0,0|2,0,0]=4 33158 B14R1.123 CCCCCCSCc1ccccn1 62a_100000721315_100000210757 [0,2,0,0,0,0|2,0,0]=4 33159 B14R1.123 CCCCCCSCc1cccnc1 62a_100000210314_100000741622 [0,2,0,0,0,0|2,0,0]=4 33160 B14R1.123 CCCCCCSCc1cccnc1 62a_100000741622_100000210757 [0,2,0,0,0,0|2,0,0]=4 33161 B14R1.123 CCCCCCSCc1ccncc1 62a_100000210314_100015193705 [0,2,0,0,0,0|2,0,0]=4 33162 B14R1.123 CCCCCCSCc1ccncc1 62a_100015193705_100000210757 [0,2,0,0,0,0|2,0,0]=4 33163 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000106460_100000210326 [0,2,0,0,0,0|1,0,0]=3 33164 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000209983_100000765856 [0,2,0,0,0,0|1,0,0]=3 33165 B14R1.123 CCCCCNCCc1ccccc1 34a_100000106460_100000718602 [0,2,0,0,0,0|1,0,0]=3 33166 B14R1.123 CCCCCNCCc1ccccn1 2230a_100000209983_100015183660 [0,2,0,0,0,0|2,0,0]=4 33167 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000209983_200011713674 [0,2,0,0,0,0|2,0,0]=4 33168 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000736294_100000210326 [0,2,0,0,0,0|2,0,0]=4 33169 B14R1.123 CCCCCNCCc1ccncc1 2230a_100000209983_100000723409 [0,2,0,0,0,0|2,0,0]=4 33170 B14R1.123 CCCCCNCSc1ccccc1 2230a_100000209983_100011218342 [0,2,0,0,0,0|1,0,0]=3 33171 B14R1.123 CCCCCNN=Cc1ccccc1 4a_100000694160_100015611070 [0,2,0,0,0,0|1,0,1]=4 33172 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210253_100000765856 [0,2,0,0,0,0|1,0,0]=3 33173 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210268_100000718602 [0,2,0,0,0,0|1,0,0]=3 33174 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210253_100000765856 [0,2,0,0,0,0|1,0,0]=3 33175 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210268_100000210326 [0,2,0,0,0,0|1,0,0]=3 33176 B14R1.123 CCCCCOCCc1ccccn1 34a_100000210271_100000718602 [0,2,0,0,0,0|2,0,0]=4 33177 B14R1.123 CCCCCOCCc1ccccn1 7a_100000210253_100015183660 [0,2,0,0,0,0|2,0,0]=4 33178 B14R1.123 CCCCCOCCc1cccnc1 34a_100011217484_100000718602 [0,2,0,0,0,0|2,0,0]=4 33179 B14R1.123 CCCCCOCCc1cccnc1 7a_100000210253_200011713674 [0,2,0,0,0,0|2,0,0]=4 33180 B14R1.123 CCCCCOCCc1ccncc1 34a_100011216225_100000718602 [0,2,0,0,0,0|2,0,0]=4 33181 B14R1.123 CCCCCOCCc1ccncc1 7a_100000210253_100000723409 [0,2,0,0,0,0|2,0,0]=4 33182 B14R1.123 CCCCCSCCc1ccccc1 62a_100000210326_100011218657 [0,2,0,0,0,0|1,0,0]=3 33183 B14R1.123 CCCCCSCCc1ccccc1 62a_100000765856_100000210326 [0,2,0,0,0,0|1,0,0]=3 33184 B14R1.123 CCCCCSCCc1ccccn1 62a_100000210326_100015183660 [0,2,0,0,0,0|2,0,0]=4 33185 B14R1.123 CCCCCSCCc1ccccn1 62a_100015183660_100000210326 [0,2,0,0,0,0|2,0,0]=4 33186 B14R1.123 CCCCCSCCc1cccnc1 62a_100000210326_200011713674 [0,2,0,0,0,0|2,0,0]=4 33187 B14R1.123 CCCCCSCCc1cccnc1 62a_200011713674_100000210326 [0,2,0,0,0,0|2,0,0]=4 33188 B14R1.123 CCCCCSCCc1ccncc1 62a_100000210326_100000723409 [0,2,0,0,0,0|2,0,0]=4 33189 B14R1.123 CCCCCSCCc1ccncc1 62a_100000723409_100000210326 [0,2,0,0,0,0|2,0,0]=4 33190 B14R1.123 CCCCCSCSc1ccccc1 62a_100000210326_100011218342 [0,2,0,0,0,0|1,0,0]=3 33191 B14R1.123 CCCCCSCSc1ccccc1 62a_100011218342_100000210326 [0,2,0,0,0,0|1,0,0]=3 33192 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [0,2,0,0,0,0|1,0,1]=4 33193 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [0,2,0,0,0,0|1,0,1]=4 33194 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [0,2,0,0,0,0|1,0,1]=4 33195 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [0,2,0,0,0,0|1,0,1]=4 33196 B14R1.123 CCCCNCC#Cc1ccccc1 2230a_100000102301_100011352542 [0,2,0,0,0,0|1,0,1]=4 33197 B14R1.123 CCCCNCC#Cc1ccccc1 34a_100000735379_100000210210 [0,2,0,0,0,0|1,0,1]=4 33198 B14R1.123 CCCCNCC#Cc1ccccc1 7a_106832991798_100011352542 [0,2,0,0,0,0|1,0,1]=4 33199 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [0,2,0,0,0,0|1,0,1]=4 33200 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [0,2,0,0,0,0|1,0,0]=3 33201 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [0,2,0,0,0,0|1,0,0]=3 33202 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [0,2,0,0,0,0|1,0,0]=3 33203 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [0,2,0,0,0,0|1,0,0]=3 33204 B14R1.123 CCCCNCCCc1cccnc1 2230a_100011532358_100000210211 [0,2,0,0,0,0|2,0,0]=4 33205 B14R1.123 CCCCNCCCc1cccnc1 34a_100011532358_100000210210 [0,2,0,0,0,0|2,0,0]=4 33206 B14R1.123 CCCCNCCCc1ccncc1 2230a_100011275580_100000210211 [0,2,0,0,0,0|2,0,0]=4 33207 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000102301_100000184471 [0,2,0,0,0,0|1,0,0]=3 33208 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000174943_100000210211 [0,2,0,0,0,0|1,0,0]=3 33209 B14R1.123 CCCCNCCOc1ccccc1 270004a_100000102301_100000758736 [0,2,0,0,0,0|1,0,0]=3 33210 B14R1.123 CCCCNCCOc1ccccc1 34a_100000174943_100000210210 [0,2,0,0,0,0|1,0,0]=3 33211 B14R1.123 CCCCNCCOc1ccccc1 7a_106832991798_100000184471 [0,2,0,0,0,0|1,0,0]=3 33212 B14R1.123 CCCCNCCOc1ccccn1 2230a_106741647558_100000210211 [0,2,0,0,0,0|2,0,0]=4 33213 B14R1.123 CCCCNCCOc1cccnc1 2230a_100000754688_100000210211 [0,2,0,0,0,0|2,0,0]=4 33214 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000102301_100000246102 [0,2,0,0,0,0|1,0,0]=3 33215 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000189519_100000210211 [0,2,0,0,0,0|1,0,0]=3 33216 B14R1.123 CCCCNCCSc1ccccc1 7a_106832991798_100000246102 [0,2,0,0,0,0|1,0,0]=3 33217 B14R1.123 CCCCNCOCc1ccccc1 2230a_100000102301_100000763385 [0,2,0,0,0,0|1,0,0]=3 33218 B14R1.123 CCCCNCSCc1ccccc1 2230a_100000102301_200011217039 [0,2,0,0,0,0|1,0,0]=3 33219 B14R1.123 CCCCNN=CCc1ccccc1 4a_100025702795_100000209964 [0,2,0,0,0,0|1,0,1]=4 33220 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [0,2,0,0,0,0|1,0,1]=4 33221 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [0,2,0,0,0,0|1,0,1]=4 33222 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [0,2,0,0,0,0|1,0,1]=4 33223 B14R1.123 CCCCOCC#Cc1ccccc1 34a_100000210227_100011352542 [0,2,0,0,0,0|1,0,1]=4 33224 B14R1.123 CCCCOCC#Cc1ccccc1 34a_100011217464_100000210210 [0,2,0,0,0,0|1,0,1]=4 33225 B14R1.123 CCCCOCC#Cc1ccccc1 7a_100000210227_100011352542 [0,2,0,0,0,0|1,0,1]=4 33226 B14R1.123 CCCCOCC#Cc1ccccc1 7a_100011217464_100000210211 [0,2,0,0,0,0|1,0,1]=4 33227 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [0,2,0,0,0,0|1,0,0]=3 33228 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [0,2,0,0,0,0|1,0,0]=3 33229 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [0,2,0,0,0,0|1,0,0]=3 33230 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [0,2,0,0,0,0|1,0,0]=3 33231 B14R1.123 CCCCOCCCc1ccccn1 34a_100011215068_100000210210 [0,2,0,0,0,0|2,0,0]=4 33232 B14R1.123 CCCCOCCCc1cccnc1 34a_100000211284_100000210210 [0,2,0,0,0,0|2,0,0]=4 33233 B14R1.123 CCCCOCCCc1ccncc1 34a_100000210659_100000210210 [0,2,0,0,0,0|2,0,0]=4 33234 B14R1.123 CCCCOCCNc1ccccc1 34a_100000106764_100000743108 [0,2,0,0,0,0|1,0,0]=3 33235 B14R1.123 CCCCOCCNc1ccccc1 34a_100000211345_100000210210 [0,2,0,0,0,0|1,0,0]=3 33236 B14R1.123 CCCCOCCNc1ccncc1 34a_200011243140_100000210210 [0,2,0,0,0,0|2,0,0]=4 33237 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210227_100000184471 [0,2,0,0,0,0|1,0,0]=3 33238 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210260_100000210210 [0,2,0,0,0,0|1,0,0]=3 33239 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210340_100000743108 [0,2,0,0,0,0|1,0,0]=3 33240 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210227_100000184471 [0,2,0,0,0,0|1,0,0]=3 33241 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210260_100000210211 [0,2,0,0,0,0|1,0,0]=3 33242 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210340_100000743108 [0,2,0,0,0,0|1,0,0]=3 33243 B14R1.123 CCCCOCCOc1cccnc1 34a_100000210849_100000743108 [0,2,0,0,0,0|2,0,0]=4 33244 B14R1.123 CCCCOCCOc1cccnc1 7a_100000210849_100000743108 [0,2,0,0,0,0|2,0,0]=4 33245 B14R1.123 CCCCOCCOc1ccncc1 34a_100000212176_100000743108 [0,2,0,0,0,0|2,0,0]=4 33246 B14R1.123 CCCCOCCSc1ccccc1 34a_100000210227_100000246102 [0,2,0,0,0,0|1,0,0]=3 33247 B14R1.123 CCCCOCCSc1ccccc1 62a_100000719477_100000743108 [0,2,0,0,0,0|1,0,0]=3 33248 B14R1.123 CCCCOCCSc1ccccc1 62a_100000743108_100000041952 [0,2,0,0,0,0|1,0,0]=3 33249 B14R1.123 CCCCOCCSc1ccccc1 7a_100000210227_100000246102 [0,2,0,0,0,0|1,0,0]=3 33250 B14R1.123 CCCCOCCSc1ccccc1 7a_100000230494_100000210211 [0,2,0,0,0,0|1,0,0]=3 33251 B14R1.123 CCCCOCCSc1ccccn1 62a_100000743108_100011216584 [0,2,0,0,0,0|2,0,0]=4 33252 B14R1.123 CCCCOCCSc1ccccn1 62a_100011216584_100000743108 [0,2,0,0,0,0|2,0,0]=4 33253 B14R1.123 CCCCOCCSc1ccccn1 7a_100000156319_100000210211 [0,2,0,0,0,0|2,0,0]=4 33254 B14R1.123 CCCCOCCSc1cccnc1 62a_100000210063_100000743108 [0,2,0,0,0,0|2,0,0]=4 33255 B14R1.123 CCCCOCCSc1cccnc1 62a_100000743108_100000210063 [0,2,0,0,0,0|2,0,0]=4 33256 B14R1.123 CCCCOCCSc1ccncc1 62a_100000728582_100000743108 [0,2,0,0,0,0|2,0,0]=4 33257 B14R1.123 CCCCOCCSc1ccncc1 62a_100000743108_100000728582 [0,2,0,0,0,0|2,0,0]=4 33258 B14R1.123 CCCCOCNCc1ccccc1 2230a_100015324214_100011995733 [0,2,0,0,0,0|1,0,0]=3 33259 B14R1.123 CCCCOCNCc1ccccc1 34a_100015324214_100011995733 [0,2,0,0,0,0|1,0,0]=3 33260 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210227_100000763385 [0,2,0,0,0,0|1,0,0]=3 33261 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210790_100011995733 [0,2,0,0,0,0|1,0,0]=3 33262 B14R1.123 CCCCOCSCc1ccccc1 34a_100000210227_200011217039 [0,2,0,0,0,0|1,0,0]=3 33263 B14R1.123 CCCCOCSCc1ccccc1 62a_100000211182_100011995733 [0,2,0,0,0,0|1,0,0]=3 33264 B14R1.123 CCCCOCSCc1ccccc1 62a_100011995733_100015291786 [0,2,0,0,0,0|1,0,0]=3 33265 B14R1.123 CCCCOCSCc1ccccn1 62a_100000721315_100011995733 [0,2,0,0,0,0|2,0,0]=4 33266 B14R1.123 CCCCOCSCc1ccccn1 62a_100011995733_100000721315 [0,2,0,0,0,0|2,0,0]=4 33267 B14R1.123 CCCCOCSCc1cccnc1 62a_100000741622_100011995733 [0,2,0,0,0,0|2,0,0]=4 33268 B14R1.123 CCCCOCSCc1cccnc1 62a_100011995733_100000741622 [0,2,0,0,0,0|2,0,0]=4 33269 B14R1.123 CCCCOCSCc1ccncc1 62a_100011995733_100015193705 [0,2,0,0,0,0|2,0,0]=4 33270 B14R1.123 CCCCOCSCc1ccncc1 62a_100015193705_100011995733 [0,2,0,0,0,0|2,0,0]=4 33271 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100000210211_100016265936 [0,2,0,0,0,0|1,0,1]=4 33272 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100016265936_100000210210 [0,2,0,0,0,0|1,0,1]=4 33273 B14R1.123 CCCCSCC#Cc1ccccc1 62a_100000210211_100011352542 [0,2,0,0,0,0|1,0,1]=4 33274 B14R1.123 CCCCSCCCc1ccccc1 62a_100000210211_100000211621 [0,2,0,0,0,0|1,0,0]=3 33275 B14R1.123 CCCCSCCCc1ccccc1 62a_100000211621_100000210210 [0,2,0,0,0,0|1,0,0]=3 33276 B14R1.123 CCCCSCCOc1ccccc1 62a_100000184471_100000210210 [0,2,0,0,0,0|1,0,0]=3 33277 B14R1.123 CCCCSCCOc1ccccc1 62a_100000210211_100000184471 [0,2,0,0,0,0|1,0,0]=3 33278 B14R1.123 CCCCSCCSc1ccccc1 62a_100000210211_100000246102 [0,2,0,0,0,0|1,0,0]=3 33279 B14R1.123 CCCCSCCSc1ccccc1 62a_100000246102_100000210210 [0,2,0,0,0,0|1,0,0]=3 33280 B14R1.123 CCCCSCOCc1ccccc1 62a_100000210211_100000763385 [0,2,0,0,0,0|1,0,0]=3 33281 B14R1.123 CCCCSCOCc1ccccc1 62a_100000763385_100000210210 [0,2,0,0,0,0|1,0,0]=3 33282 B14R1.123 CCCCSCSCc1ccccc1 62a_100000210211_200011217039 [0,2,0,0,0,0|1,0,0]=3 33283 B14R1.123 CCCCSCSCc1ccccc1 62a_200011217039_100000210210 [0,2,0,0,0,0|1,0,0]=3 33284 B14R1.123 CCCNCCCCc1ccccc1 2230a_100015280158_100000210303 [0,2,0,0,0,0|1,0,0]=3 33285 B14R1.123 CCCNCCCCc1ccccc1 34a_100015280158_100000210303 [0,2,0,0,0,0|1,0,0]=3 33286 B14R1.123 CCCNCCCOc1ccccc1 2230a_100000216521_100000210303 [0,2,0,0,0,0|1,0,0]=3 33287 B14R1.123 CCCNCCCOc1ccccc1 34a_100000216521_100000210303 [0,2,0,0,0,0|1,0,0]=3 33288 B14R1.123 CCCNCCCSc1ccccc1 2230a_100000184639_100000210303 [0,2,0,0,0,0|1,0,0]=3 33289 B14R1.123 CCCNCCOCc1ccccc1 2230a_100000753106_100000210303 [0,2,0,0,0,0|1,0,0]=3 33290 B14R1.123 CCCNCCOCc1ccccc1 34a_100000753106_100000210303 [0,2,0,0,0,0|1,0,0]=3 33291 B14R1.123 CCCNCCSCc1ccccc1 2230a_100000189534_100000210303 [0,2,0,0,0,0|1,0,0]=3 33292 B14R1.123 CCCNCCSCc1ccccc1 34a_100000189534_100000210303 [0,2,0,0,0,0|1,0,0]=3 33293 B14R1.123 CCCNCCSCc1ccccc1 7a_100000189534_100000210303 [0,2,0,0,0,0|1,0,0]=3 33294 B14R1.123 CCCNN=CCCc1ccccc1 4a_100000740057_100000198083 [0,2,0,0,0,0|1,0,1]=4 33295 B14R1.123 CCCOCCC#Cc1ccccc1 34a_100000760064_100000210303 [0,2,0,0,0,0|1,0,1]=4 33296 B14R1.123 CCCOCCC#Cc1ccccc1 7a_100000760064_100000210303 [0,2,0,0,0,0|1,0,1]=4 33297 B14R1.123 CCCOCCCCc1ccccc1 34a_100000210258_100000701786 [0,2,0,0,0,0|1,0,0]=3 33298 B14R1.123 CCCOCCCCc1ccccc1 34a_100000703073_100000210303 [0,2,0,0,0,0|1,0,0]=3 33299 B14R1.123 CCCOCCCCc1ccccc1 7a_100000703073_100000210303 [0,2,0,0,0,0|1,0,0]=3 33300 B14R1.123 CCCOCCCCc1ccccn1 34a_100012186994_100000210303 [0,2,0,0,0,0|2,0,0]=4 33301 B14R1.123 CCCOCCCCc1cccnc1 34a_100012039607_100000210303 [0,2,0,0,0,0|2,0,0]=4 33302 B14R1.123 CCCOCCCCc1cccnc1 7a_100012039607_100000210303 [0,2,0,0,0,0|2,0,0]=4 33303 B14R1.123 CCCOCCCCc1ccncc1 34a_100011787716_100000210303 [0,2,0,0,0,0|2,0,0]=4 33304 B14R1.123 CCCOCCCNc1ccccc1 34a_100000212590_100000210303 [0,2,0,0,0,0|1,0,0]=3 33305 B14R1.123 CCCOCCCOc1ccccc1 34a_100000210258_100000199009 [0,2,0,0,0,0|1,0,0]=3 33306 B14R1.123 CCCOCCCOc1ccccc1 34a_100011215863_100000210303 [0,2,0,0,0,0|1,0,0]=3 33307 B14R1.123 CCCOCCCOc1ccccc1 7a_100011215863_100000210303 [0,2,0,0,0,0|1,0,0]=3 33308 B14R1.123 CCCOCCCSc1ccccc1 34a_100000210258_200011203293 [0,2,0,0,0,0|1,0,0]=3 33309 B14R1.123 CCCOCCNCc1ccccc1 207a_100161115042_100015611070 [0,2,0,0,0,0|1,0,0]=3 33310 B14R1.123 CCCOCCNCc1ccccc1 2230a_100015324214_100011215938 [0,2,0,0,0,0|1,0,0]=3 33311 B14R1.123 CCCOCCNCc1ccccc1 2230a_100161115042_100015291786 [0,2,0,0,0,0|1,0,0]=3 33312 B14R1.123 CCCOCCNCc1ccccc1 270004a_100161115042_100015611070 [0,2,0,0,0,0|1,0,0]=3 33313 B14R1.123 CCCOCCNCc1ccccc1 34a_100000180844_100000210303 [0,2,0,0,0,0|1,0,0]=3 33314 B14R1.123 CCCOCCNCc1ccccc1 34a_100015324214_100011215938 [0,2,0,0,0,0|1,0,0]=3 33315 B14R1.123 CCCOCCNCc1ccccc1 34a_100161115042_100015291786 [0,2,0,0,0,0|1,0,0]=3 33316 B14R1.123 CCCOCCNCc1ccccn1 207a_100161115042_100000209966 [0,2,0,0,0,0|2,0,0]=4 33317 B14R1.123 CCCOCCNCc1ccccn1 2230a_100161115042_100000721315 [0,2,0,0,0,0|2,0,0]=4 33318 B14R1.123 CCCOCCNCc1ccccn1 270004a_100161115042_100000209966 [0,2,0,0,0,0|2,0,0]=4 33319 B14R1.123 CCCOCCNCc1ccccn1 34a_100161115042_100000721315 [0,2,0,0,0,0|2,0,0]=4 33320 B14R1.123 CCCOCCNCc1cccnc1 207a_100161115042_100000209961 [0,2,0,0,0,0|2,0,0]=4 33321 B14R1.123 CCCOCCNCc1cccnc1 2230a_100161115042_100000741622 [0,2,0,0,0,0|2,0,0]=4 33322 B14R1.123 CCCOCCNCc1cccnc1 270004a_100161115042_100000209961 [0,2,0,0,0,0|2,0,0]=4 33323 B14R1.123 CCCOCCNCc1cccnc1 34a_100161115042_100000733263 [0,2,0,0,0,0|2,0,0]=4 33324 B14R1.123 CCCOCCNCc1ccncc1 207a_100161115042_100000186114 [0,2,0,0,0,0|2,0,0]=4 33325 B14R1.123 CCCOCCNCc1ccncc1 2230a_100161115042_100015193705 [0,2,0,0,0,0|2,0,0]=4 33326 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210258_100000234347 [0,2,0,0,0,0|1,0,0]=3 33327 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210790_100011215938 [0,2,0,0,0,0|1,0,0]=3 33328 B14R1.123 CCCOCCOCc1ccccc1 34a_100000752267_100015291786 [0,2,0,0,0,0|1,0,0]=3 33329 B14R1.123 CCCOCCOCc1ccccc1 34a_100000759325_100000210303 [0,2,0,0,0,0|1,0,0]=3 33330 B14R1.123 CCCOCCOCc1ccccc1 7a_100000210790_100011215938 [0,2,0,0,0,0|1,0,0]=3 33331 B14R1.123 CCCOCCOCc1ccccc1 7a_100000752267_100000211182 [0,2,0,0,0,0|1,0,0]=3 33332 B14R1.123 CCCOCCOCc1ccccc1 7a_100000759325_100000210303 [0,2,0,0,0,0|1,0,0]=3 33333 B14R1.123 CCCOCCOCc1ccccn1 34a_100000752267_100000721315 [0,2,0,0,0,0|2,0,0]=4 33334 B14R1.123 CCCOCCOCc1ccccn1 7a_100000752267_100000721315 [0,2,0,0,0,0|2,0,0]=4 33335 B14R1.123 CCCOCCOCc1cccnc1 34a_100000752267_100000733263 [0,2,0,0,0,0|2,0,0]=4 33336 B14R1.123 CCCOCCOCc1cccnc1 7a_100000752267_100000741622 [0,2,0,0,0,0|2,0,0]=4 33337 B14R1.123 CCCOCCOCc1ccncc1 7a_100000752267_100015193705 [0,2,0,0,0,0|2,0,0]=4 33338 B14R1.123 CCCOCCSCc1ccccc1 34a_100000210258_200011297719 [0,2,0,0,0,0|1,0,0]=3 33339 B14R1.123 CCCOCCSCc1ccccc1 34a_100011205989_100000210303 [0,2,0,0,0,0|1,0,0]=3 33340 B14R1.123 CCCOCCSCc1ccccc1 62a_100000211182_100011215938 [0,2,0,0,0,0|1,0,0]=3 33341 B14R1.123 CCCOCCSCc1ccccc1 62a_100011215938_100015291786 [0,2,0,0,0,0|1,0,0]=3 33342 B14R1.123 CCCOCCSCc1ccccc1 7a_100011205989_100000210303 [0,2,0,0,0,0|1,0,0]=3 33343 B14R1.123 CCCOCCSCc1ccccn1 62a_100000721315_100011215938 [0,2,0,0,0,0|2,0,0]=4 33344 B14R1.123 CCCOCCSCc1ccccn1 62a_100011215938_100000721315 [0,2,0,0,0,0|2,0,0]=4 33345 B14R1.123 CCCOCCSCc1cccnc1 62a_100000741622_100011215938 [0,2,0,0,0,0|2,0,0]=4 33346 B14R1.123 CCCOCCSCc1cccnc1 62a_100011215938_100000741622 [0,2,0,0,0,0|2,0,0]=4 33347 B14R1.123 CCCOCCSCc1ccncc1 62a_100011215938_100015193705 [0,2,0,0,0,0|2,0,0]=4 33348 B14R1.123 CCCOCCSCc1ccncc1 62a_100015193705_100011215938 [0,2,0,0,0,0|2,0,0]=4 33349 B14R1.123 CCCSCCCCc1ccccc1 62a_100000210303_100000701786 [0,2,0,0,0,0|1,0,0]=3 33350 B14R1.123 CCCSCCCCc1ccccc1 62a_100000701786_100000210303 [0,2,0,0,0,0|1,0,0]=3 33351 B14R1.123 CCCSCCCCc1ccncc1 62a_100000210303_100020630000 [0,2,0,0,0,0|2,0,0]=4 33352 B14R1.123 CCCSCCCCc1ccncc1 62a_100020630000_100000210303 [0,2,0,0,0,0|2,0,0]=4 33353 B14R1.123 CCCSCCCOc1ccccc1 62a_100000199009_100000210303 [0,2,0,0,0,0|1,0,0]=3 33354 B14R1.123 CCCSCCCOc1ccccc1 62a_100000210303_100000199009 [0,2,0,0,0,0|1,0,0]=3 33355 B14R1.123 CCCSCCCSc1ccccc1 62a_100000210303_200011203293 [0,2,0,0,0,0|1,0,0]=3 33356 B14R1.123 CCCSCCCSc1ccccc1 62a_200011203293_100000210303 [0,2,0,0,0,0|1,0,0]=3 33357 B14R1.123 CCCSCCNCc1ccccc1 207a_100020603323_100015611070 [0,2,0,0,0,0|1,0,0]=3 33358 B14R1.123 CCCSCCNCc1ccccc1 2230a_100020603323_100015291786 [0,2,0,0,0,0|1,0,0]=3 33359 B14R1.123 CCCSCCNCc1ccccc1 270004a_100020603323_100015611070 [0,2,0,0,0,0|1,0,0]=3 33360 B14R1.123 CCCSCCNCc1ccccn1 207a_100020603323_100000209966 [0,2,0,0,0,0|2,0,0]=4 33361 B14R1.123 CCCSCCNCc1ccccn1 2230a_100020603323_100000721315 [0,2,0,0,0,0|2,0,0]=4 33362 B14R1.123 CCCSCCNCc1ccccn1 270004a_100020603323_100000209966 [0,2,0,0,0,0|2,0,0]=4 33363 B14R1.123 CCCSCCNCc1cccnc1 207a_100020603323_100000209961 [0,2,0,0,0,0|2,0,0]=4 33364 B14R1.123 CCCSCCNCc1cccnc1 2230a_100020603323_100000741622 [0,2,0,0,0,0|2,0,0]=4 33365 B14R1.123 CCCSCCNCc1cccnc1 270004a_100020603323_100000209961 [0,2,0,0,0,0|2,0,0]=4 33366 B14R1.123 CCCSCCNCc1ccncc1 207a_100020603323_100000186114 [0,2,0,0,0,0|2,0,0]=4 33367 B14R1.123 CCCSCCNCc1ccncc1 2230a_100020603323_100015193705 [0,2,0,0,0,0|2,0,0]=4 33368 B14R1.123 CCCSCCOCc1ccccc1 34a_200000230433_100015291786 [0,2,0,0,0,0|1,0,0]=3 33369 B14R1.123 CCCSCCOCc1ccccc1 62a_100000210303_100000234347 [0,2,0,0,0,0|1,0,0]=3 33370 B14R1.123 CCCSCCOCc1ccccc1 62a_100000234347_100000210303 [0,2,0,0,0,0|1,0,0]=3 33371 B14R1.123 CCCSCCOCc1ccccc1 7a_200000230433_100000211182 [0,2,0,0,0,0|1,0,0]=3 33372 B14R1.123 CCCSCCOCc1ccccn1 34a_200000230433_100000721315 [0,2,0,0,0,0|2,0,0]=4 33373 B14R1.123 CCCSCCOCc1ccccn1 7a_200000230433_100000721315 [0,2,0,0,0,0|2,0,0]=4 33374 B14R1.123 CCCSCCOCc1cccnc1 34a_200000230433_100000733263 [0,2,0,0,0,0|2,0,0]=4 33375 B14R1.123 CCCSCCOCc1cccnc1 7a_200000230433_100000741622 [0,2,0,0,0,0|2,0,0]=4 33376 B14R1.123 CCCSCCOCc1ccncc1 7a_200000230433_100015193705 [0,2,0,0,0,0|2,0,0]=4 33377 B14R1.123 CCCSCCSCc1ccccc1 62a_100000210303_200011297719 [0,2,0,0,0,0|1,0,0]=3 33378 B14R1.123 CCCSCCSCc1ccccc1 62a_200011297719_100000210303 [0,2,0,0,0,0|1,0,0]=3 33379 B14R1.123 CCNCCCCCc1ccccc1 2230a_100000750932_100000210202 [0,2,0,0,0,0|1,0,0]=3 33380 B14R1.123 CCNCCCCCc1ccccc1 2230a_100015525214_200011217138 [0,2,0,0,0,0|1,0,0]=3 33381 B14R1.123 CCNCCCCCc1ccccc1 34a_100000750932_100000210202 [0,2,0,0,0,0|1,0,0]=3 33382 B14R1.123 CCNCCCCOc1ccccc1 2230a_100015525214_100011215240 [0,2,0,0,0,0|1,0,0]=3 33383 B14R1.123 CCNCCCOCc1ccccc1 2230a_100015525214_100011215529 [0,2,0,0,0,0|1,0,0]=3 33384 B14R1.123 CCNCCCOCc1ccccc1 2230a_200000206031_100000210202 [0,2,0,0,0,0|1,0,0]=3 33385 B14R1.123 CCNCCCOCc1ccccc1 34a_200000206031_100000210202 [0,2,0,0,0,0|1,0,0]=3 33386 B14R1.123 CCNN=CCCCc1ccccc1 4a_100000756455_100011361547 [0,2,0,0,0,0|1,0,1]=4 33387 B14R1.123 CCOCCCC#Cc1ccccc1 34a_100011217234_100000210202 [0,2,0,0,0,0|0,0,2]=4 33388 B14R1.123 CCOCCCC#Cc1ccccc1 7a_100011217234_100000210202 [0,2,0,0,0,0|0,0,2]=4 33389 B14R1.123 CCOCCCCCc1ccccc1 34a_100121572206_200011217138 [0,2,0,0,0,0|0,0,0]=2 33390 B14R1.123 CCOCCCCCc1ccccc1 34a_200011219639_100000210202 [0,2,0,0,0,0|0,0,0]=2 33391 B14R1.123 CCOCCCCCc1ccccc1 7a_200011219639_100000210202 [0,2,0,0,0,0|0,0,0]=2 33392 B14R1.123 CCOCCCCOc1ccccc1 34a_100000752354_100000210202 [0,2,0,0,0,0|1,0,0]=3 33393 B14R1.123 CCOCCCCOc1ccccc1 34a_100121572206_100011215240 [0,2,0,0,0,0|1,0,0]=3 33394 B14R1.123 CCOCCCCOc1ccccc1 7a_100000752354_100000210202 [0,2,0,0,0,0|1,0,0]=3 33395 B14R1.123 CCOCCCNCc1ccccc1 207a_100000210961_100015611070 [0,2,0,0,0,0|1,0,0]=3 33396 B14R1.123 CCOCCCNCc1ccccc1 2230a_100000210961_100015291786 [0,2,0,0,0,0|1,0,0]=3 33397 B14R1.123 CCOCCCNCc1ccccc1 2230a_100015324214_100012232248 [0,2,0,0,0,0|1,0,0]=3 33398 B14R1.123 CCOCCCNCc1ccccc1 270004a_100000210961_100015611070 [0,2,0,0,0,0|1,0,0]=3 33399 B14R1.123 CCOCCCNCc1ccccc1 34a_100000185501_100000210202 [0,2,0,0,0,0|1,0,0]=3 33400 B14R1.123 CCOCCCNCc1ccccc1 34a_100000210961_100015291786 [0,2,0,0,0,0|1,0,0]=3 33401 B14R1.123 CCOCCCNCc1ccccc1 34a_100015324214_100012232248 [0,2,0,0,0,0|1,0,0]=3 33402 B14R1.123 CCOCCCNCc1ccccn1 207a_100000210961_100000209966 [0,2,0,0,0,0|2,0,0]=4 33403 B14R1.123 CCOCCCNCc1ccccn1 2230a_100000210961_100000721315 [0,2,0,0,0,0|2,0,0]=4 33404 B14R1.123 CCOCCCNCc1ccccn1 270004a_100000210961_100000209966 [0,2,0,0,0,0|2,0,0]=4 33405 B14R1.123 CCOCCCNCc1ccccn1 34a_100000210961_100000721315 [0,2,0,0,0,0|2,0,0]=4 33406 B14R1.123 CCOCCCNCc1cccnc1 207a_100000210961_100000209961 [0,2,0,0,0,0|2,0,0]=4 33407 B14R1.123 CCOCCCNCc1cccnc1 2230a_100000210961_100000741622 [0,2,0,0,0,0|2,0,0]=4 33408 B14R1.123 CCOCCCNCc1cccnc1 270004a_100000210961_100000209961 [0,2,0,0,0,0|2,0,0]=4 33409 B14R1.123 CCOCCCNCc1cccnc1 34a_100000210961_100000733263 [0,2,0,0,0,0|2,0,0]=4 33410 B14R1.123 CCOCCCNCc1ccncc1 207a_100000210961_100000186114 [0,2,0,0,0,0|2,0,0]=4 33411 B14R1.123 CCOCCCNCc1ccncc1 2230a_100000210961_100015193705 [0,2,0,0,0,0|2,0,0]=4 33412 B14R1.123 CCOCCCOCc1ccccc1 34a_100000210790_100012232248 [0,2,0,0,0,0|1,0,0]=3 33413 B14R1.123 CCOCCCOCc1ccccc1 34a_100000691849_100000210202 [0,2,0,0,0,0|1,0,0]=3 33414 B14R1.123 CCOCCCOCc1ccccc1 34a_100000757476_100015291786 [0,2,0,0,0,0|1,0,0]=3 33415 B14R1.123 CCOCCCOCc1ccccc1 34a_100121572206_100011215529 [0,2,0,0,0,0|1,0,0]=3 33416 B14R1.123 CCOCCCOCc1ccccc1 7a_100000210790_100012232248 [0,2,0,0,0,0|1,0,0]=3 33417 B14R1.123 CCOCCCOCc1ccccc1 7a_100000691849_100000210202 [0,2,0,0,0,0|1,0,0]=3 33418 B14R1.123 CCOCCCOCc1ccccc1 7a_100000757476_100000211182 [0,2,0,0,0,0|1,0,0]=3 33419 B14R1.123 CCOCCCOCc1ccccn1 34a_100000757476_100000721315 [0,2,0,0,0,0|2,0,0]=4 33420 B14R1.123 CCOCCCOCc1ccccn1 7a_100000757476_100000721315 [0,2,0,0,0,0|2,0,0]=4 33421 B14R1.123 CCOCCCOCc1cccnc1 34a_100000757476_100000733263 [0,2,0,0,0,0|2,0,0]=4 33422 B14R1.123 CCOCCCOCc1cccnc1 7a_100000757476_100000741622 [0,2,0,0,0,0|2,0,0]=4 33423 B14R1.123 CCOCCCOCc1ccncc1 7a_100000757476_100015193705 [0,2,0,0,0,0|2,0,0]=4 33424 B14R1.123 CCOCCCSCc1ccccc1 62a_100000211182_100012232248 [0,2,0,0,0,0|1,0,0]=3 33425 B14R1.123 CCOCCCSCc1ccccc1 62a_100012232248_100015291786 [0,2,0,0,0,0|1,0,0]=3 33426 B14R1.123 CCOCCCSCc1ccccn1 62a_100000721315_100012232248 [0,2,0,0,0,0|2,0,0]=4 33427 B14R1.123 CCOCCCSCc1ccccn1 62a_100012232248_100000721315 [0,2,0,0,0,0|2,0,0]=4 33428 B14R1.123 CCOCCCSCc1cccnc1 62a_100000741622_100012232248 [0,2,0,0,0,0|2,0,0]=4 33429 B14R1.123 CCOCCCSCc1cccnc1 62a_100012232248_100000741622 [0,2,0,0,0,0|2,0,0]=4 33430 B14R1.123 CCOCCCSCc1ccncc1 62a_100012232248_100015193705 [0,2,0,0,0,0|2,0,0]=4 33431 B14R1.123 CCOCCCSCc1ccncc1 62a_100015193705_100012232248 [0,2,0,0,0,0|2,0,0]=4 33432 B14R1.123 CCOCCNCCc1ccccc1 2230a_100000106460_100011215890 [0,2,0,0,0,0|1,0,0]=3 33433 B14R1.123 CCOCCNCCc1ccccc1 2230a_102516460346_100000765856 [0,2,0,0,0,0|1,0,0]=3 33434 B14R1.123 CCOCCNCCc1ccccc1 34a_100000106460_100000210147 [0,2,0,0,0,0|1,0,0]=3 33435 B14R1.123 CCOCCNCCc1ccccc1 34a_102516460346_100000765856 [0,2,0,0,0,0|1,0,0]=3 33436 B14R1.123 CCOCCNCCc1ccccn1 2230a_102516460346_100015183660 [0,2,0,0,0,0|2,0,0]=4 33437 B14R1.123 CCOCCNCCc1cccnc1 2230a_100000736294_100011215890 [0,2,0,0,0,0|2,0,0]=4 33438 B14R1.123 CCOCCNCCc1cccnc1 2230a_102516460346_200011713674 [0,2,0,0,0,0|2,0,0]=4 33439 B14R1.123 CCOCCNCCc1ccncc1 2230a_102516460346_100000723409 [0,2,0,0,0,0|2,0,0]=4 33440 B14R1.123 CCOCCNCSc1ccccc1 2230a_102516460346_100011218342 [0,2,0,0,0,0|2,0,0]=4 33441 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210136_100000765856 [0,2,0,0,0,0|1,0,0]=3 33442 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210268_100000210147 [0,2,0,0,0,0|1,0,0]=3 33443 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210136_100000765856 [0,2,0,0,0,0|1,0,0]=3 33444 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210268_100011215890 [0,2,0,0,0,0|1,0,0]=3 33445 B14R1.123 CCOCCOCCc1ccccn1 34a_100000210271_100000210147 [0,2,0,0,0,0|2,0,0]=4 33446 B14R1.123 CCOCCOCCc1ccccn1 7a_100000210136_100015183660 [0,2,0,0,0,0|2,0,0]=4 33447 B14R1.123 CCOCCOCCc1cccnc1 34a_100011217484_100000210147 [0,2,0,0,0,0|2,0,0]=4 33448 B14R1.123 CCOCCOCCc1cccnc1 7a_100000210136_200011713674 [0,2,0,0,0,0|2,0,0]=4 33449 B14R1.123 CCOCCOCCc1ccncc1 34a_100011216225_100000210147 [0,2,0,0,0,0|2,0,0]=4 33450 B14R1.123 CCOCCOCCc1ccncc1 7a_100000210136_100000723409 [0,2,0,0,0,0|2,0,0]=4 33451 B14R1.123 CCOCCSCCc1ccccc1 62a_100000210147_100011218657 [0,2,0,0,0,0|1,0,0]=3 33452 B14R1.123 CCOCCSCCc1ccccc1 62a_100000765856_100011215890 [0,2,0,0,0,0|1,0,0]=3 33453 B14R1.123 CCOCCSCCc1ccccn1 34a_100011362645_100000210202 [0,2,0,0,0,0|2,0,0]=4 33454 B14R1.123 CCOCCSCCc1ccccn1 62a_100000210147_100015183660 [0,2,0,0,0,0|2,0,0]=4 33455 B14R1.123 CCOCCSCCc1ccccn1 62a_100015183660_100011215890 [0,2,0,0,0,0|2,0,0]=4 33456 B14R1.123 CCOCCSCCc1ccccn1 7a_100011362645_100000210202 [0,2,0,0,0,0|2,0,0]=4 33457 B14R1.123 CCOCCSCCc1cccnc1 62a_100000210147_200011713674 [0,2,0,0,0,0|2,0,0]=4 33458 B14R1.123 CCOCCSCCc1cccnc1 62a_200011713674_100011215890 [0,2,0,0,0,0|2,0,0]=4 33459 B14R1.123 CCOCCSCCc1ccncc1 34a_200011193335_100000210202 [0,2,0,0,0,0|2,0,0]=4 33460 B14R1.123 CCOCCSCCc1ccncc1 62a_100000210147_100000723409 [0,2,0,0,0,0|2,0,0]=4 33461 B14R1.123 CCOCCSCCc1ccncc1 62a_100000723409_100011215890 [0,2,0,0,0,0|2,0,0]=4 33462 B14R1.123 CCOCCSCCc1ccncc1 7a_200011193335_100000210202 [0,2,0,0,0,0|2,0,0]=4 33463 B14R1.123 CCOCCSCSc1ccccc1 62a_100000210147_100011218342 [0,2,0,0,0,0|2,0,0]=4 33464 B14R1.123 CCOCCSCSc1ccccc1 62a_100011218342_100011215890 [0,2,0,0,0,0|2,0,0]=4 33465 B14R1.123 CCOCSCCCc1ccccc1 62a_100000211621_100000739092 [0,2,0,0,0,0|1,0,0]=3 33466 B14R1.123 CCOCSCCCc1ccccc1 62a_100000739092_100000211621 [0,2,0,0,0,0|1,0,0]=3 33467 B14R1.123 CCOCSCCOc1ccccc1 62a_100000184471_100000739092 [0,2,0,0,0,0|2,0,0]=4 33468 B14R1.123 CCOCSCCOc1ccccc1 62a_100000739092_100000184471 [0,2,0,0,0,0|2,0,0]=4 33469 B14R1.123 CCOCSCCSc1ccccc1 62a_100000246102_100000739092 [0,2,0,0,0,0|2,0,0]=4 33470 B14R1.123 CCOCSCCSc1ccccc1 62a_100000739092_100000246102 [0,2,0,0,0,0|2,0,0]=4 33471 B14R1.123 CCOCSCOCc1ccccc1 62a_100000739092_100000763385 [0,2,0,0,0,0|2,0,0]=4 33472 B14R1.123 CCOCSCOCc1ccccc1 62a_100000763385_100000739092 [0,2,0,0,0,0|2,0,0]=4 33473 B14R1.123 CCOCSCSCc1ccccc1 62a_100000739092_200011217039 [0,2,0,0,0,0|2,0,0]=4 33474 B14R1.123 CCOCSCSCc1ccccc1 62a_200011217039_100000739092 [0,2,0,0,0,0|2,0,0]=4 33475 B14R1.123 CCSCCCCCc1ccccc1 62a_100000210202_200011217138 [0,2,0,0,0,0|0,1,0]=3 33476 B14R1.123 CCSCCCCCc1ccccc1 62a_200011217138_100000210202 [0,2,0,0,0,0|0,1,0]=3 33477 B14R1.123 CCSCCCCOc1ccccc1 62a_100000210202_100011215240 [0,2,0,0,0,0|1,0,0]=3 33478 B14R1.123 CCSCCCCOc1ccccc1 62a_100011215240_100000210202 [0,2,0,0,0,0|1,0,0]=3 33479 B14R1.123 CCSCCCOCc1ccccc1 34a_100011216438_100015291786 [0,2,0,0,0,0|1,0,0]=3 33480 B14R1.123 CCSCCCOCc1ccccc1 62a_100000210202_100011215529 [0,2,0,0,0,0|1,0,0]=3 33481 B14R1.123 CCSCCCOCc1ccccc1 62a_100011215529_100000210202 [0,2,0,0,0,0|1,0,0]=3 33482 B14R1.123 CCSCCCOCc1ccccc1 7a_100011216438_100000211182 [0,2,0,0,0,0|1,0,0]=3 33483 B14R1.123 CCSCCCOCc1ccccn1 34a_100011216438_100000721315 [0,2,0,0,0,0|2,0,0]=4 33484 B14R1.123 CCSCCCOCc1ccccn1 7a_100011216438_100000721315 [0,2,0,0,0,0|2,0,0]=4 33485 B14R1.123 CCSCCCOCc1cccnc1 34a_100011216438_100000733263 [0,2,0,0,0,0|2,0,0]=4 33486 B14R1.123 CCSCCCOCc1cccnc1 7a_100011216438_100000741622 [0,2,0,0,0,0|2,0,0]=4 33487 B14R1.123 CCSCCCOCc1ccncc1 7a_100011216438_100015193705 [0,2,0,0,0,0|2,0,0]=4 33488 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106460_100000757381 [0,2,0,0,0,0|1,0,0]=3 33489 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106463_100000765856 [0,2,0,0,0,0|1,0,0]=3 33490 B14R1.123 CCSCCNCCc1ccccc1 34a_100000106460_100000757381 [0,2,0,0,0,0|1,0,0]=3 33491 B14R1.123 CCSCCNCCc1ccccn1 2230a_100000106463_100015183660 [0,2,0,0,0,0|2,0,0]=4 33492 B14R1.123 CCSCCNCCc1cccnc1 2230a_100000106463_200011713674 [0,2,0,0,0,0|2,0,0]=4 33493 B14R1.123 CCSCCNCCc1cccnc1 2230a_100000736294_100000757381 [0,2,0,0,0,0|2,0,0]=4 33494 B14R1.123 CCSCCNCCc1ccncc1 2230a_100000106463_100000723409 [0,2,0,0,0,0|2,0,0]=4 33495 B14R1.123 CCSCCNCSc1ccccc1 2230a_100000106463_100011218342 [0,2,0,0,0,0|2,0,0]=4 33496 B14R1.123 CCSCCOCCc1ccccc1 34a_100000210268_100000757381 [0,2,0,0,0,0|1,0,0]=3 33497 B14R1.123 CCSCCOCCc1ccccc1 34a_100000212035_100000765856 [0,2,0,0,0,0|1,0,0]=3 33498 B14R1.123 CCSCCOCCc1ccccc1 7a_100000210268_100000757381 [0,2,0,0,0,0|1,0,0]=3 33499 B14R1.123 CCSCCOCCc1ccccc1 7a_100000212035_100000765856 [0,2,0,0,0,0|1,0,0]=3 33500 B14R1.123 CCSCCOCCc1ccccn1 34a_100000210271_100000757381 [0,2,0,0,0,0|2,0,0]=4 33501 B14R1.123 CCSCCOCCc1ccccn1 7a_100000212035_100015183660 [0,2,0,0,0,0|2,0,0]=4 33502 B14R1.123 CCSCCOCCc1cccnc1 34a_100011217484_100000757381 [0,2,0,0,0,0|2,0,0]=4 33503 B14R1.123 CCSCCOCCc1cccnc1 7a_100000212035_200011713674 [0,2,0,0,0,0|2,0,0]=4 33504 B14R1.123 CCSCCOCCc1ccncc1 34a_100011216225_100000757381 [0,2,0,0,0,0|2,0,0]=4 33505 B14R1.123 CCSCCOCCc1ccncc1 7a_100000212035_100000723409 [0,2,0,0,0,0|2,0,0]=4 33506 B14R1.123 CCSCCSCCc1ccccc1 62a_100000757381_100011218657 [0,2,0,0,0,0|1,0,0]=3 33507 B14R1.123 CCSCCSCCc1ccccc1 62a_100000765856_100000757381 [0,2,0,0,0,0|1,0,0]=3 33508 B14R1.123 CCSCCSCCc1ccccn1 62a_100000757381_100015183660 [0,2,0,0,0,0|2,0,0]=4 33509 B14R1.123 CCSCCSCCc1ccccn1 62a_100015183660_100000757381 [0,2,0,0,0,0|2,0,0]=4 33510 B14R1.123 CCSCCSCCc1cccnc1 62a_100000757381_200011713674 [0,2,0,0,0,0|2,0,0]=4 33511 B14R1.123 CCSCCSCCc1cccnc1 62a_200011713674_100000757381 [0,2,0,0,0,0|2,0,0]=4 33512 B14R1.123 CCSCCSCCc1ccncc1 62a_100000723409_100000757381 [0,2,0,0,0,0|2,0,0]=4 33513 B14R1.123 CCSCCSCCc1ccncc1 62a_100000757381_100000723409 [0,2,0,0,0,0|2,0,0]=4 33514 B14R1.123 CCSCCSCSc1ccccc1 62a_100000757381_100011218342 [0,2,0,0,0,0|2,0,0]=4 33515 B14R1.123 CCSCCSCSc1ccccc1 62a_100011218342_100000757381 [0,2,0,0,0,0|2,0,0]=4 33516 B14R1.123 CNCCCCCCc1ccccc1 2230a_106832991635_100011218729 [0,2,0,0,0,0|1,0,0]=3 33517 B14R1.123 CNCCCCCCc1ccccc1 34a_100102657272_100011218729 [0,2,0,0,0,0|1,0,0]=3 33518 B14R1.123 CNCCCCCCc1ccccc1 7a_106832991635_100011218729 [0,2,0,0,0,0|1,0,0]=3 33519 B14R1.123 CNCCCCCOc1ccccc1 2230a_106832991635_200011777167 [0,2,0,0,0,0|1,0,0]=3 33520 B14R1.123 CNCCCCCOc1ccccc1 34a_100102657272_200011777167 [0,2,0,0,0,0|1,0,0]=3 33521 B14R1.123 CNCCCCCOc1ccccc1 7a_106832991635_200011777167 [0,2,0,0,0,0|1,0,0]=3 33522 B14R1.123 CNCCCCOCc1ccccc1 2230a_100000748060_200000210301 [0,2,0,0,0,0|1,0,0]=3 33523 B14R1.123 CNCCCCOCc1ccccc1 2230a_106832991635_100011219843 [0,2,0,0,0,0|1,0,0]=3 33524 B14R1.123 CNCCCCOCc1ccccc1 34a_100000748060_200000210301 [0,2,0,0,0,0|1,0,0]=3 33525 B14R1.123 CNCCCCOCc1ccccc1 34a_100102657272_100011219843 [0,2,0,0,0,0|1,0,0]=3 33526 B14R1.123 CNCCCCOCc1ccccc1 7a_106832991635_100011219843 [0,2,0,0,0,0|1,0,0]=3 33527 B14R1.123 CNCCCOCCc1ccccc1 34a_100000213112_100000765856 [0,2,0,0,0,0|1,0,0]=3 33528 B14R1.123 COCCCCCCc1ccccc1 34a_100011215581_200000210301 [0,2,0,0,0,0|0,0,0]=2 33529 B14R1.123 COCCCCCCc1ccccc1 34a_100138415774_100011218729 [0,2,0,0,0,0|0,0,0]=2 33530 B14R1.123 COCCCCCCc1ccccc1 7a_100011215581_200000210301 [0,2,0,0,0,0|0,0,0]=2 33531 B14R1.123 COCCCCCNc1cccnn1 27a_100000747528_100016991348 [0,2,0,0,0,0|2,0,0]=4 33532 B14R1.123 COCCCCCNc1ccncn1 27a_100000747528_100000703185 [0,2,0,0,0,0|2,0,0]=4 33533 B14R1.123 COCCCCCNc1cnccn1 27a_100000747528_100000211759 [0,2,0,0,0,0|2,0,0]=4 33534 B14R1.123 COCCCCCNc1ncccn1 27a_100000747528_100000211032 [0,2,0,0,0,0|2,0,0]=4 33535 B14R1.123 COCCCCCOc1ccccc1 34a_100138415774_200011777167 [0,2,0,0,0,0|0,0,0]=2 33536 B14R1.123 COCCCCNCc1ccccc1 2230a_100015324214_100000730899 [0,2,0,0,0,0|0,0,0]=2 33537 B14R1.123 COCCCCNCc1ccccc1 34a_100000186360_200000210301 [0,2,0,0,0,0|0,0,0]=2 33538 B14R1.123 COCCCCNCc1ccccc1 34a_100015324214_100000755781 [0,2,0,0,0,0|0,0,0]=2 33539 B14R1.123 COCCCCNCc1cccnn1 2230a_100159270163_100000730899 [0,2,0,0,0,0|2,0,0]=4 33540 B14R1.123 COCCCCNCc1cncnc1 2230a_100011243677_100000730899 [0,2,0,0,0,0|2,0,0]=4 33541 B14R1.123 COCCCCOCc1ccccc1 34a_100000210790_100000755781 [0,2,0,0,0,0|0,0,0]=2 33542 B14R1.123 COCCCCOCc1ccccc1 34a_100000740925_100015291786 [0,2,0,0,0,0|0,0,0]=2 33543 B14R1.123 COCCCCOCc1ccccc1 34a_100011215074_200000210301 [0,2,0,0,0,0|0,0,0]=2 33544 B14R1.123 COCCCCOCc1ccccc1 34a_100138415774_100011219843 [0,2,0,0,0,0|0,0,0]=2 33545 B14R1.123 COCCCCOCc1ccccc1 7a_100000210790_100000730899 [0,2,0,0,0,0|0,0,0]=2 33546 B14R1.123 COCCCCOCc1ccccc1 7a_100011215074_200000210301 [0,2,0,0,0,0|0,0,0]=2 33547 B14R1.123 COCCCCOCc1ccccn1 34a_100000740925_100000721315 [0,2,0,0,0,0|1,0,0]=3 33548 B14R1.123 COCCCCOCc1cccnc1 34a_100000740925_100000733263 [0,2,0,0,0,0|1,0,0]=3 33549 B14R1.123 COCCCCOCc1cccnn1 34a_100000740925_100016990269 [0,2,0,0,0,0|2,0,0]=4 33550 B14R1.123 COCCCCOCc1cnccn1 34a_100000740925_100016995436 [0,2,0,0,0,0|2,0,0]=4 33551 B14R1.123 COCCCCOCc1cncnc1 34a_100000740925_100015196519 [0,2,0,0,0,0|2,0,0]=4 33552 B14R1.123 COCCCCOCc1ncccn1 34a_100000740925_100000703007 [0,2,0,0,0,0|2,0,0]=4 33553 B14R1.123 COCCCCSCc1ccccc1 62a_100000211182_100000730899 [0,2,0,0,0,0|0,0,0]=2 33554 B14R1.123 COCCCCSCc1ccccc1 62a_100000730899_100015291786 [0,2,0,0,0,0|0,0,0]=2 33555 B14R1.123 COCCCCSCc1ccccn1 62a_100000721315_100000730899 [0,2,0,0,0,0|1,0,0]=3 33556 B14R1.123 COCCCCSCc1ccccn1 62a_100000730899_100000721315 [0,2,0,0,0,0|1,0,0]=3 33557 B14R1.123 COCCCCSCc1cccnc1 62a_100000730899_100000741622 [0,2,0,0,0,0|1,0,0]=3 33558 B14R1.123 COCCCCSCc1cccnc1 62a_100000741622_100000730899 [0,2,0,0,0,0|1,0,0]=3 33559 B14R1.123 COCCCCSCc1cccnn1 62a_100000730899_100016990269 [0,2,0,0,0,0|2,0,0]=4 33560 B14R1.123 COCCCCSCc1cccnn1 62a_100016990269_100000730899 [0,2,0,0,0,0|2,0,0]=4 33561 B14R1.123 COCCCCSCc1ccncc1 62a_100000730899_100015193705 [0,2,0,0,0,0|1,0,0]=3 33562 B14R1.123 COCCCCSCc1ccncc1 62a_100015193705_100000730899 [0,2,0,0,0,0|1,0,0]=3 33563 B14R1.123 COCCCCSCc1cnccn1 62a_100000730899_100016995436 [0,2,0,0,0,0|2,0,0]=4 33564 B14R1.123 COCCCCSCc1cnccn1 62a_100016995436_100000730899 [0,2,0,0,0,0|2,0,0]=4 33565 B14R1.123 COCCCCSCc1cncnc1 62a_100000730899_100015196519 [0,2,0,0,0,0|2,0,0]=4 33566 B14R1.123 COCCCCSCc1cncnc1 62a_100015196519_100000730899 [0,2,0,0,0,0|2,0,0]=4 33567 B14R1.123 COCCCCSCc1ncccn1 62a_100000703007_100000730899 [0,2,0,0,0,0|2,0,0]=4 33568 B14R1.123 COCCCCSCc1ncccn1 62a_100000730899_100000703007 [0,2,0,0,0,0|2,0,0]=4 33569 B14R1.123 COCCCNCCc1ccccc1 2230a_100000106460_100000740836 [0,2,0,0,0,0|0,0,0]=2 33570 B14R1.123 COCCCNCCc1ccccc1 34a_100000106460_100000740836 [0,2,0,0,0,0|0,0,0]=2 33571 B14R1.123 COCCCNCCc1ccccc1 34a_100150723488_100000765856 [0,2,0,0,0,0|0,0,0]=2 33572 B14R1.123 COCCCNCCc1cccnc1 2230a_100000736294_100000740836 [0,2,0,0,0,0|1,0,0]=3 33573 B14R1.123 COCCCOCCc1ccccc1 34a_100000210268_100000740836 [0,2,0,0,0,0|0,0,0]=2 33574 B14R1.123 COCCCOCCc1ccccc1 34a_100000740835_100000765856 [0,2,0,0,0,0|0,0,0]=2 33575 B14R1.123 COCCCOCCc1ccccc1 7a_100000210268_100000740836 [0,2,0,0,0,0|0,0,0]=2 33576 B14R1.123 COCCCOCCc1ccccn1 34a_100000210271_100000740836 [0,2,0,0,0,0|1,0,0]=3 33577 B14R1.123 COCCCOCCc1cccnc1 34a_100011217484_100000740836 [0,2,0,0,0,0|1,0,0]=3 33578 B14R1.123 COCCCOCCc1ccncc1 34a_100011216225_100000740836 [0,2,0,0,0,0|1,0,0]=3 33579 B14R1.123 COCCCOCCc1cnccn1 34a_100011349526_100000740836 [0,2,0,0,0,0|2,0,0]=4 33580 B14R1.123 COCCCOCCc1cncnc1 34a_100011709255_100000740836 [0,2,0,0,0,0|2,0,0]=4 33581 B14R1.123 COCCCSCCc1ccccc1 62a_100000709357_100011218657 [0,2,0,0,0,0|0,0,0]=2 33582 B14R1.123 COCCCSCCc1ccccc1 62a_100000765856_100000709357 [0,2,0,0,0,0|0,0,0]=2 33583 B14R1.123 COCCCSCCc1ccccn1 62a_100000709357_100015183660 [0,2,0,0,0,0|1,0,0]=3 33584 B14R1.123 COCCCSCCc1ccccn1 62a_100015183660_100000709357 [0,2,0,0,0,0|1,0,0]=3 33585 B14R1.123 COCCCSCCc1cccnc1 62a_100000709357_200011713674 [0,2,0,0,0,0|1,0,0]=3 33586 B14R1.123 COCCCSCCc1cccnc1 62a_200011713674_100000709357 [0,2,0,0,0,0|1,0,0]=3 33587 B14R1.123 COCCCSCCc1ccncc1 62a_100000709357_100000723409 [0,2,0,0,0,0|1,0,0]=3 33588 B14R1.123 COCCCSCCc1ccncc1 62a_100000723409_100000709357 [0,2,0,0,0,0|1,0,0]=3 33589 B14R1.123 COCCCSCSc1ccccc1 62a_100000709357_100011218342 [0,2,0,0,0,0|1,0,0]=3 33590 B14R1.123 COCCCSCSc1ccccc1 62a_100011218342_100000709357 [0,2,0,0,0,0|1,0,0]=3 33591 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100000209980_100016265936 [0,2,0,0,0,0|0,0,2]=4 33592 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100020603302_100011201679 [0,2,0,0,0,0|0,0,2]=4 33593 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603302_100011201679 [0,2,0,0,0,0|0,0,2]=4 33594 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603566_200000210301 [0,2,0,0,0,0|0,0,2]=4 33595 B14R1.123 COCCNCC#Cc1ccccc1 2230a_100000209980_100011352542 [0,2,0,0,0,0|0,0,2]=4 33596 B14R1.123 COCCNCC#Cc1ccccc1 34a_100000735379_100011201679 [0,2,0,0,0,0|0,0,2]=4 33597 B14R1.123 COCCNCC=Cc1ccccc1 270004a_100000209980_100000210105 [0,2,0,0,0,0|0,0,2]=4 33598 B14R1.123 COCCNCCCc1ccccc1 2230a_100000209980_100000211621 [0,2,0,0,0,0|0,0,0]=2 33599 B14R1.123 COCCNCCCc1ccccc1 2230a_100000211184_100011201679 [0,2,0,0,0,0|0,0,0]=2 33600 B14R1.123 COCCNCCCc1ccccc1 34a_100000211184_100011201679 [0,2,0,0,0,0|0,0,0]=2 33601 B14R1.123 COCCNCCCc1cccnc1 2230a_100011532358_100011201679 [0,2,0,0,0,0|1,0,0]=3 33602 B14R1.123 COCCNCCCc1cccnc1 34a_100011532358_100011201679 [0,2,0,0,0,0|1,0,0]=3 33603 B14R1.123 COCCNCCCc1ccncc1 2230a_100011275580_100011201679 [0,2,0,0,0,0|1,0,0]=3 33604 B14R1.123 COCCNCCOc1ccccc1 2230a_100000174943_100011201679 [0,2,0,0,0,0|1,0,0]=3 33605 B14R1.123 COCCNCCOc1ccccc1 2230a_100000209980_100000184471 [0,2,0,0,0,0|1,0,0]=3 33606 B14R1.123 COCCNCCOc1ccccc1 270004a_100000209980_100000758736 [0,2,0,0,0,0|1,0,0]=3 33607 B14R1.123 COCCNCCOc1ccccc1 34a_100000174943_100011201679 [0,2,0,0,0,0|1,0,0]=3 33608 B14R1.123 COCCNCCOc1ccccn1 2230a_106741647558_100011201679 [0,2,0,0,0,0|2,0,0]=4 33609 B14R1.123 COCCNCCOc1cccnc1 2230a_100000754688_100011201679 [0,2,0,0,0,0|2,0,0]=4 33610 B14R1.123 COCCNCCSc1ccccc1 2230a_100000189519_100011201679 [0,2,0,0,0,0|1,0,0]=3 33611 B14R1.123 COCCNCCSc1ccccc1 2230a_100000209980_100000246102 [0,2,0,0,0,0|1,0,0]=3 33612 B14R1.123 COCCNCOCc1ccccc1 2230a_100000209980_100000763385 [0,2,0,0,0,0|1,0,0]=3 33613 B14R1.123 COCCNCSCc1ccccc1 2230a_100000209980_200011217039 [0,2,0,0,0,0|1,0,0]=3 33614 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [0,2,0,0,0,0|0,0,2]=4 33615 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [0,2,0,0,0,0|0,0,2]=4 33616 B14R1.123 COCCOCC#Cc1ccccc1 34a_100000210237_100011352542 [0,2,0,0,0,0|0,0,2]=4 33617 B14R1.123 COCCOCC#Cc1ccccc1 34a_100011217464_100011201679 [0,2,0,0,0,0|0,0,2]=4 33618 B14R1.123 COCCOCC#Cc1ccccc1 7a_100011217464_100000233755 [0,2,0,0,0,0|0,0,2]=4 33619 B14R1.123 COCCOCCCC1=CCC=CC1 34a_100020667889_100011201679 [0,2,0,0,0,0|0,0,2]=4 33620 B14R1.123 COCCOCCCc1ccccc1 34a_100000210237_100000211621 [0,2,0,0,0,0|0,0,0]=2 33621 B14R1.123 COCCOCCCc1ccccc1 34a_100000210828_100011201679 [0,2,0,0,0,0|0,0,0]=2 33622 B14R1.123 COCCOCCCc1ccccc1 7a_100000210828_100000233755 [0,2,0,0,0,0|0,0,0]=2 33623 B14R1.123 COCCOCCCc1ccccn1 34a_100011215068_100011201679 [0,2,0,0,0,0|1,0,0]=3 33624 B14R1.123 COCCOCCCc1cccnc1 34a_100000211284_100011201679 [0,2,0,0,0,0|1,0,0]=3 33625 B14R1.123 COCCOCCCc1ccncc1 34a_100000210659_100011201679 [0,2,0,0,0,0|1,0,0]=3 33626 B14R1.123 COCCOCCNc1ccccc1 34a_100000106764_100000695917 [0,2,0,0,0,0|1,0,0]=3 33627 B14R1.123 COCCOCCNc1ccccc1 34a_100000211345_100011201679 [0,2,0,0,0,0|1,0,0]=3 33628 B14R1.123 COCCOCCNc1ccncc1 34a_200011243140_100011201679 [0,2,0,0,0,0|2,0,0]=4 33629 B14R1.123 COCCOCCOc1ccccc1 34a_100000210237_100000184471 [0,2,0,0,0,0|1,0,0]=3 33630 B14R1.123 COCCOCCOc1ccccc1 34a_100000210260_100011201679 [0,2,0,0,0,0|1,0,0]=3 33631 B14R1.123 COCCOCCOc1ccccc1 34a_100000210340_100000695917 [0,2,0,0,0,0|1,0,0]=3 33632 B14R1.123 COCCOCCOc1ccccc1 34a_100000756377_200000210301 [0,2,0,0,0,0|1,0,0]=3 33633 B14R1.123 COCCOCCOc1ccccc1 7a_100000210260_100000233755 [0,2,0,0,0,0|1,0,0]=3 33634 B14R1.123 COCCOCCOc1ccccc1 7a_100000210340_100000695917 [0,2,0,0,0,0|1,0,0]=3 33635 B14R1.123 COCCOCCOc1ccccc1 7a_100000756377_200000210301 [0,2,0,0,0,0|1,0,0]=3 33636 B14R1.123 COCCOCCOc1cccnc1 34a_100000210849_100000695917 [0,2,0,0,0,0|2,0,0]=4 33637 B14R1.123 COCCOCCOc1cccnc1 7a_100000210849_100000695917 [0,2,0,0,0,0|2,0,0]=4 33638 B14R1.123 COCCOCCOc1ccncc1 34a_100000212176_100000695917 [0,2,0,0,0,0|2,0,0]=4 33639 B14R1.123 COCCOCCSc1ccccc1 34a_100000210237_100000246102 [0,2,0,0,0,0|1,0,0]=3 33640 B14R1.123 COCCOCCSc1ccccc1 62a_100000695917_100000041952 [0,2,0,0,0,0|1,0,0]=3 33641 B14R1.123 COCCOCCSc1ccccc1 62a_100000719477_100000695917 [0,2,0,0,0,0|1,0,0]=3 33642 B14R1.123 COCCOCCSc1ccccc1 7a_100000230494_100000233755 [0,2,0,0,0,0|1,0,0]=3 33643 B14R1.123 COCCOCCSc1ccccn1 62a_100000695917_100011216584 [0,2,0,0,0,0|2,0,0]=4 33644 B14R1.123 COCCOCCSc1ccccn1 62a_100011216584_100000695917 [0,2,0,0,0,0|2,0,0]=4 33645 B14R1.123 COCCOCCSc1ccccn1 7a_100000156319_100000233755 [0,2,0,0,0,0|2,0,0]=4 33646 B14R1.123 COCCOCCSc1cccnc1 62a_100000210063_100000695917 [0,2,0,0,0,0|2,0,0]=4 33647 B14R1.123 COCCOCCSc1cccnc1 62a_100000695917_100000210063 [0,2,0,0,0,0|2,0,0]=4 33648 B14R1.123 COCCOCCSc1ccncc1 62a_100000695917_100000728582 [0,2,0,0,0,0|2,0,0]=4 33649 B14R1.123 COCCOCCSc1ccncc1 62a_100000728582_100000695917 [0,2,0,0,0,0|2,0,0]=4 33650 B14R1.123 COCCOCNCc1ccccc1 2230a_100015324214_100000231047 [0,2,0,0,0,0|1,0,0]=3 33651 B14R1.123 COCCOCOCc1ccccc1 34a_100000210237_100000763385 [0,2,0,0,0,0|1,0,0]=3 33652 B14R1.123 COCCOCSCc1ccccc1 34a_100000210237_200011217039 [0,2,0,0,0,0|1,0,0]=3 33653 B14R1.123 COCCOCSCc1ccccc1 62a_100000211182_100000231047 [0,2,0,0,0,0|1,0,0]=3 33654 B14R1.123 COCCOCSCc1ccccc1 62a_100000231047_100015291786 [0,2,0,0,0,0|1,0,0]=3 33655 B14R1.123 COCCOCSCc1ccccn1 62a_100000231047_100000721315 [0,2,0,0,0,0|2,0,0]=4 33656 B14R1.123 COCCOCSCc1ccccn1 62a_100000721315_100000231047 [0,2,0,0,0,0|2,0,0]=4 33657 B14R1.123 COCCOCSCc1cccnc1 62a_100000231047_100000741622 [0,2,0,0,0,0|2,0,0]=4 33658 B14R1.123 COCCOCSCc1cccnc1 62a_100000741622_100000231047 [0,2,0,0,0,0|2,0,0]=4 33659 B14R1.123 COCCOCSCc1ccncc1 62a_100000231047_100015193705 [0,2,0,0,0,0|2,0,0]=4 33660 B14R1.123 COCCOCSCc1ccncc1 62a_100015193705_100000231047 [0,2,0,0,0,0|2,0,0]=4 33661 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100000233755_100016265936 [0,2,0,0,0,0|0,0,2]=4 33662 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100016265936_100000233755 [0,2,0,0,0,0|0,0,2]=4 33663 B14R1.123 COCCSCC#Cc1ccccc1 62a_100000233755_100011352542 [0,2,0,0,0,0|0,0,2]=4 33664 B14R1.123 COCCSCCCc1ccccc1 62a_100000211621_100000233755 [0,2,0,0,0,0|0,0,0]=2 33665 B14R1.123 COCCSCCCc1ccccc1 62a_100000233755_100000211621 [0,2,0,0,0,0|0,0,0]=2 33666 B14R1.123 COCCSCCOc1ccccc1 62a_100000184471_100000233755 [0,2,0,0,0,0|1,0,0]=3 33667 B14R1.123 COCCSCCOc1ccccc1 62a_100000233755_100000184471 [0,2,0,0,0,0|1,0,0]=3 33668 B14R1.123 COCCSCCSc1ccccc1 62a_100000233755_100000246102 [0,2,0,0,0,0|1,0,0]=3 33669 B14R1.123 COCCSCCSc1ccccc1 62a_100000246102_100000233755 [0,2,0,0,0,0|1,0,0]=3 33670 B14R1.123 COCCSCOCc1ccccc1 62a_100000233755_100000763385 [0,2,0,0,0,0|1,0,0]=3 33671 B14R1.123 COCCSCOCc1ccccc1 62a_100000763385_100000233755 [0,2,0,0,0,0|1,0,0]=3 33672 B14R1.123 COCCSCSCc1ccccc1 62a_100000233755_200011217039 [0,2,0,0,0,0|1,0,0]=3 33673 B14R1.123 COCCSCSCc1ccccc1 62a_200011217039_100000233755 [0,2,0,0,0,0|1,0,0]=3 33674 B14R1.123 COCNCCCCc1ccccc1 2230a_100015280158_100000766300 [0,2,0,0,0,0|0,0,0]=2 33675 B14R1.123 COCNCCCOc1ccccc1 2230a_100000216521_100000766300 [0,2,0,0,0,0|1,0,0]=3 33676 B14R1.123 COCNCCCSc1ccccc1 2230a_100000184639_100000766300 [0,2,0,0,0,0|1,0,0]=3 33677 B14R1.123 COCNCCOCc1ccccc1 2230a_100000753106_100000766300 [0,2,0,0,0,0|1,0,0]=3 33678 B14R1.123 COCNCCSCc1ccccc1 2230a_100000189534_100000766300 [0,2,0,0,0,0|1,0,0]=3 33679 B14R1.123 COCSCCCCc1ccccc1 62a_100000701786_100000766300 [0,2,0,0,0,0|0,0,0]=2 33680 B14R1.123 COCSCCCCc1ccccc1 62a_100000766300_100000701786 [0,2,0,0,0,0|0,0,0]=2 33681 B14R1.123 COCSCCCCc1ccncc1 62a_100000766300_100020630000 [0,2,0,0,0,0|1,0,0]=3 33682 B14R1.123 COCSCCCCc1ccncc1 62a_100020630000_100000766300 [0,2,0,0,0,0|1,0,0]=3 33683 B14R1.123 COCSCCCOc1ccccc1 62a_100000199009_100000766300 [0,2,0,0,0,0|1,0,0]=3 33684 B14R1.123 COCSCCCOc1ccccc1 62a_100000766300_100000199009 [0,2,0,0,0,0|1,0,0]=3 33685 B14R1.123 COCSCCCSc1ccccc1 62a_100000766300_200011203293 [0,2,0,0,0,0|1,0,0]=3 33686 B14R1.123 COCSCCCSc1ccccc1 62a_200011203293_100000766300 [0,2,0,0,0,0|1,0,0]=3 33687 B14R1.123 COCSCCOCc1ccccc1 62a_100000234347_100000766300 [0,2,0,0,0,0|1,0,0]=3 33688 B14R1.123 COCSCCOCc1ccccc1 62a_100000766300_100000234347 [0,2,0,0,0,0|1,0,0]=3 33689 B14R1.123 COCSCCSCc1ccccc1 62a_100000766300_200011297719 [0,2,0,0,0,0|1,0,0]=3 33690 B14R1.123 COCSCCSCc1ccccc1 62a_200011297719_100000766300 [0,2,0,0,0,0|1,0,0]=3 33691 B14R1.123 CSCCCCCCc1ccccc1 62a_100011218729_200000210301 [0,2,0,0,0,0|0,1,0]=3 33692 B14R1.123 CSCCCCCCc1ccccc1 62a_200000210301_100011218729 [0,2,0,0,0,0|0,1,0]=3 33693 B14R1.123 CSCCCCCOc1ccccc1 62a_200000210301_200011777167 [0,2,0,0,0,0|0,1,0]=3 33694 B14R1.123 CSCCCCCOc1ccccc1 62a_200011777167_200000210301 [0,2,0,0,0,0|0,1,0]=3 33695 B14R1.123 CSCCCCOCc1ccccc1 34a_100011217163_100015291786 [0,2,0,0,0,0|0,1,0]=3 33696 B14R1.123 CSCCCCOCc1ccccc1 62a_100011219843_200000210301 [0,2,0,0,0,0|0,1,0]=3 33697 B14R1.123 CSCCCCOCc1ccccc1 62a_200000210301_100011219843 [0,2,0,0,0,0|0,1,0]=3 33698 B14R1.123 CSCCCCOCc1ccccc1 7a_100011217163_100000211182 [0,2,0,0,0,0|0,1,0]=3 33699 B14R1.123 CSCCCCOCc1ccccn1 34a_100011217163_100000721315 [0,2,0,0,0,0|1,1,0]=4 33700 B14R1.123 CSCCCCOCc1ccccn1 7a_100011217163_100000721315 [0,2,0,0,0,0|1,1,0]=4 33701 B14R1.123 CSCCCCOCc1cccnc1 34a_100011217163_100000733263 [0,2,0,0,0,0|1,1,0]=4 33702 B14R1.123 CSCCCCOCc1cccnc1 7a_100011217163_100000741622 [0,2,0,0,0,0|1,1,0]=4 33703 B14R1.123 CSCCCCOCc1ccncc1 7a_100011217163_100015193705 [0,2,0,0,0,0|1,1,0]=4 33704 B14R1.123 CSCCCNCCc1ccccc1 2230a_100000749238_100000765856 [0,2,0,0,0,0|0,1,0]=3 33705 B14R1.123 CSCCCNCCc1ccccn1 2230a_100000749238_100015183660 [0,2,0,0,0,0|1,1,0]=4 33706 B14R1.123 CSCCCNCCc1cccnc1 2230a_100000749238_200011713674 [0,2,0,0,0,0|1,1,0]=4 33707 B14R1.123 CSCCCNCCc1ccncc1 2230a_100000749238_100000723409 [0,2,0,0,0,0|1,1,0]=4 33708 B14R1.123 CSCCCNCSc1ccccc1 2230a_100000749238_100011218342 [0,2,0,0,0,0|1,1,0]=4 33709 B14R1.123 CSCCCOCCc1ccccc1 34a_100000690336_100000765856 [0,2,0,0,0,0|0,1,0]=3 33710 B14R1.123 CSCCCOCCc1ccccc1 7a_100000690336_100000765856 [0,2,0,0,0,0|0,1,0]=3 33711 B14R1.123 CSCCCOCCc1ccccn1 7a_100000690336_100015183660 [0,2,0,0,0,0|1,1,0]=4 33712 B14R1.123 CSCCCOCCc1cccnc1 7a_100000690336_200011713674 [0,2,0,0,0,0|1,1,0]=4 33713 B14R1.123 CSCCCOCCc1ccncc1 7a_100000690336_100000723409 [0,2,0,0,0,0|1,1,0]=4 33714 B14R1.123 CSCCNCCCc1ccccc1 2230a_100000211184_100000751147 [0,2,0,0,0,0|0,1,0]=3 33715 B14R1.123 CSCCNCCCc1ccccc1 2230a_100020590264_100000211621 [0,2,0,0,0,0|0,1,0]=3 33716 B14R1.123 CSCCNCCCc1ccccc1 34a_100000211184_100000212216 [0,2,0,0,0,0|0,1,0]=3 33717 B14R1.123 CSCCNCCCc1cccnc1 2230a_100011532358_100000751147 [0,2,0,0,0,0|1,1,0]=4 33718 B14R1.123 CSCCNCCCc1cccnc1 34a_100011532358_100000212216 [0,2,0,0,0,0|1,1,0]=4 33719 B14R1.123 CSCCNCCCc1ccncc1 2230a_100011275580_100000751147 [0,2,0,0,0,0|1,1,0]=4 33720 B14R1.123 CSCCNCCOc1ccccc1 2230a_100000174943_100000751147 [0,2,0,0,0,0|1,1,0]=4 33721 B14R1.123 CSCCNCCOc1ccccc1 2230a_100020590264_100000184471 [0,2,0,0,0,0|1,1,0]=4 33722 B14R1.123 CSCCNCCOc1ccccc1 270004a_100020590264_100000758736 [0,2,0,0,0,0|1,1,0]=4 33723 B14R1.123 CSCCNCCOc1ccccc1 34a_100000174943_100000212216 [0,2,0,0,0,0|1,1,0]=4 33724 B14R1.123 CSCCNCCSc1ccccc1 2230a_100000189519_100000751147 [0,2,0,0,0,0|1,1,0]=4 33725 B14R1.123 CSCCNCCSc1ccccc1 2230a_100020590264_100000246102 [0,2,0,0,0,0|1,1,0]=4 33726 B14R1.123 CSCCNCOCc1ccccc1 2230a_100020590264_100000763385 [0,2,0,0,0,0|1,1,0]=4 33727 B14R1.123 CSCCNCSCc1ccccc1 2230a_100020590264_200011217039 [0,2,0,0,0,0|1,1,0]=4 33728 B14R1.123 CSCCOCCCc1ccccc1 34a_100000210828_100000212216 [0,2,0,0,0,0|0,1,0]=3 33729 B14R1.123 CSCCOCCCc1ccccc1 34a_100000230434_100000211621 [0,2,0,0,0,0|0,1,0]=3 33730 B14R1.123 CSCCOCCCc1ccccc1 7a_100000210828_100000212216 [0,2,0,0,0,0|0,1,0]=3 33731 B14R1.123 CSCCOCCCc1ccccc1 7a_100000230434_100000211621 [0,2,0,0,0,0|0,1,0]=3 33732 B14R1.123 CSCCOCCCc1ccccn1 34a_100011215068_100000212216 [0,2,0,0,0,0|1,1,0]=4 33733 B14R1.123 CSCCOCCCc1cccnc1 34a_100000211284_100000212216 [0,2,0,0,0,0|1,1,0]=4 33734 B14R1.123 CSCCOCCCc1ccncc1 34a_100000210659_100000212216 [0,2,0,0,0,0|1,1,0]=4 33735 B14R1.123 CSCCOCCNc1ccccc1 34a_100000211345_100000212216 [0,2,0,0,0,0|1,1,0]=4 33736 B14R1.123 CSCCOCCOc1ccccc1 34a_100000210260_100000212216 [0,2,0,0,0,0|1,1,0]=4 33737 B14R1.123 CSCCOCCOc1ccccc1 34a_100000230434_100000184471 [0,2,0,0,0,0|1,1,0]=4 33738 B14R1.123 CSCCOCCOc1ccccc1 7a_100000210260_100000212216 [0,2,0,0,0,0|1,1,0]=4 33739 B14R1.123 CSCCOCCOc1ccccc1 7a_100000230434_100000184471 [0,2,0,0,0,0|1,1,0]=4 33740 B14R1.123 CSCCOCCSc1ccccc1 34a_100000230434_100000246102 [0,2,0,0,0,0|1,1,0]=4 33741 B14R1.123 CSCCOCCSc1ccccc1 7a_100000230434_100000246102 [0,2,0,0,0,0|1,1,0]=4 33742 B14R1.123 CSCCOCCSc1ccccc1 7a_100000230494_100000212216 [0,2,0,0,0,0|1,1,0]=4 33743 B14R1.123 CSCCOCOCc1ccccc1 34a_100000230434_100000763385 [0,2,0,0,0,0|1,1,0]=4 33744 B14R1.123 CSCCOCSCc1ccccc1 34a_100000230434_200011217039 [0,2,0,0,0,0|1,1,0]=4 33745 B14R1.123 CSCCSCCCc1ccccc1 62a_100000211621_100000751147 [0,2,0,0,0,0|0,1,0]=3 33746 B14R1.123 CSCCSCCCc1ccccc1 62a_100000212216_100000211621 [0,2,0,0,0,0|0,1,0]=3 33747 B14R1.123 CSCCSCCOc1ccccc1 62a_100000184471_100000751147 [0,2,0,0,0,0|1,1,0]=4 33748 B14R1.123 CSCCSCCOc1ccccc1 62a_100000212216_100000184471 [0,2,0,0,0,0|1,1,0]=4 33749 B14R1.123 CSCCSCCSc1ccccc1 62a_100000212216_100000246102 [0,2,0,0,0,0|1,1,0]=4 33750 B14R1.123 CSCCSCCSc1ccccc1 62a_100000246102_100000751147 [0,2,0,0,0,0|1,1,0]=4 33751 B14R1.123 CSCCSCOCc1ccccc1 62a_100000212216_100000763385 [0,2,0,0,0,0|1,1,0]=4 33752 B14R1.123 CSCCSCOCc1ccccc1 62a_100000763385_100000751147 [0,2,0,0,0,0|1,1,0]=4 33753 B14R1.123 CSCCSCSCc1ccccc1 62a_100000212216_200011217039 [0,2,0,0,0,0|1,1,0]=4 33754 B14R1.123 CSCCSCSCc1ccccc1 62a_200011217039_100000751147 [0,2,0,0,0,0|1,1,0]=4 33755 B14R1.123 CSCNCCCCc1ccccc1 2230a_100015280158_100011218213 [0,2,0,0,0,0|0,1,0]=3 33756 B14R1.123 CSCNCCCCc1ccccc1 34a_100015280158_100011218213 [0,2,0,0,0,0|0,1,0]=3 33757 B14R1.123 CSCNCCCOc1ccccc1 2230a_100000216521_100011218213 [0,2,0,0,0,0|1,1,0]=4 33758 B14R1.123 CSCNCCCOc1ccccc1 34a_100000216521_100011218213 [0,2,0,0,0,0|1,1,0]=4 33759 B14R1.123 CSCNCCCSc1ccccc1 2230a_100000184639_100011218213 [0,2,0,0,0,0|1,1,0]=4 33760 B14R1.123 CSCNCCOCc1ccccc1 2230a_100000753106_100011218213 [0,2,0,0,0,0|1,1,0]=4 33761 B14R1.123 CSCNCCOCc1ccccc1 34a_100000753106_100011218213 [0,2,0,0,0,0|1,1,0]=4 33762 B14R1.123 CSCNCCSCc1ccccc1 2230a_100000189534_100011218213 [0,2,0,0,0,0|1,1,0]=4 33763 B14R1.123 CSCNCCSCc1ccccc1 34a_100000189534_100011218213 [0,2,0,0,0,0|1,1,0]=4 33764 B14R1.123 CSCOCCCCc1ccccc1 34a_100000703073_100011218213 [0,2,0,0,0,0|0,1,0]=3 33765 B14R1.123 CSCOCCCCc1ccccn1 34a_100012186994_100011218213 [0,2,0,0,0,0|1,1,0]=4 33766 B14R1.123 CSCOCCCCc1cccnc1 34a_100012039607_100011218213 [0,2,0,0,0,0|1,1,0]=4 33767 B14R1.123 CSCOCCCCc1ccncc1 34a_100011787716_100011218213 [0,2,0,0,0,0|1,1,0]=4 33768 B14R1.123 CSCOCCCNc1ccccc1 34a_100000212590_100011218213 [0,2,0,0,0,0|1,1,0]=4 33769 B14R1.123 CSCOCCCOc1ccccc1 34a_100011215863_100011218213 [0,2,0,0,0,0|1,1,0]=4 33770 B14R1.123 CSCOCCNCc1ccccc1 34a_100000180844_100011218213 [0,2,0,0,0,0|1,1,0]=4 33771 B14R1.123 CSCOCCOCc1ccccc1 34a_100000759325_100011218213 [0,2,0,0,0,0|1,1,0]=4 33772 B14R1.123 CSCOCCSCc1ccccc1 34a_100011205989_100011218213 [0,2,0,0,0,0|1,1,0]=4 33773 B14R1.123 CSCSCCCCc1ccccc1 62a_100000701786_100011218213 [0,2,0,0,0,0|0,1,0]=3 33774 B14R1.123 CSCSCCCCc1ccccc1 62a_100011218213_100000701786 [0,2,0,0,0,0|0,1,0]=3 33775 B14R1.123 CSCSCCCCc1ccncc1 62a_100011218213_100020630000 [0,2,0,0,0,0|1,1,0]=4 33776 B14R1.123 CSCSCCCCc1ccncc1 62a_100020630000_100011218213 [0,2,0,0,0,0|1,1,0]=4 33777 B14R1.123 CSCSCCCOc1ccccc1 62a_100000199009_100011218213 [0,2,0,0,0,0|1,1,0]=4 33778 B14R1.123 CSCSCCCOc1ccccc1 62a_100011218213_100000199009 [0,2,0,0,0,0|1,1,0]=4 33779 B14R1.123 CSCSCCCSc1ccccc1 62a_100011218213_200011203293 [0,2,0,0,0,0|1,1,0]=4 33780 B14R1.123 CSCSCCCSc1ccccc1 62a_200011203293_100011218213 [0,2,0,0,0,0|1,1,0]=4 33781 B14R1.123 CSCSCCOCc1ccccc1 62a_100000234347_100011218213 [0,2,0,0,0,0|1,1,0]=4 33782 B14R1.123 CSCSCCOCc1ccccc1 62a_100011218213_100000234347 [0,2,0,0,0,0|1,1,0]=4 33783 B14R1.123 CSCSCCSCc1ccccc1 62a_100011218213_200011297719 [0,2,0,0,0,0|1,1,0]=4 33784 B14R1.123 CSCSCCSCc1ccccc1 62a_200011297719_100011218213 [0,2,0,0,0,0|1,1,0]=4 33785 B14R1.123 ClCC#CCOCCc1ccccc1 34a_200000047223_100000765856 [0,2,0,0,0,0|1,0,1]=4 33786 B14R1.123 ClCCCCCOCc1ccccc1 34a_100000746330_100015291786 [0,2,0,0,0,0|1,0,0]=3 33787 B14R1.123 ClCCCCCOCc1ccccc1 7a_100000746330_100000211182 [0,2,0,0,0,0|1,0,0]=3 33788 B14R1.123 ClCCCCCOCc1ccccn1 34a_100000746330_100000721315 [0,2,0,0,0,0|2,0,0]=4 33789 B14R1.123 ClCCCCCOCc1ccccn1 7a_100000746330_100000721315 [0,2,0,0,0,0|2,0,0]=4 33790 B14R1.123 ClCCCCCOCc1cccnc1 34a_100000746330_100000733263 [0,2,0,0,0,0|2,0,0]=4 33791 B14R1.123 ClCCCCCOCc1cccnc1 7a_100000746330_100000741622 [0,2,0,0,0,0|2,0,0]=4 33792 B14R1.123 ClCCCCCOCc1ccncc1 7a_100000746330_100015193705 [0,2,0,0,0,0|2,0,0]=4 33793 B14R1.123 ClCCCCOCCc1ccccc1 34a_100000210776_100000765856 [0,2,0,0,0,0|1,0,0]=3 33794 B14R1.123 ClCCCCOCCc1ccccc1 7a_100000210776_100000765856 [0,2,0,0,0,0|1,0,0]=3 33795 B14R1.123 ClCCCCOCCc1ccccn1 7a_100000210776_100015183660 [0,2,0,0,0,0|2,0,0]=4 33796 B14R1.123 ClCCCCOCCc1cccnc1 7a_100000210776_200011713674 [0,2,0,0,0,0|2,0,0]=4 33797 B14R1.123 ClCCCCOCCc1ccncc1 7a_100000210776_100000723409 [0,2,0,0,0,0|2,0,0]=4 33798 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [0,2,0,0,0,0|1,0,1]=4 33799 B14R1.123 ClCCCOCC#Cc1ccccc1 34a_100000230001_100011352542 [0,2,0,0,0,0|1,0,1]=4 33800 B14R1.123 ClCCCOCCCc1ccccc1 34a_100000230001_100000211621 [0,2,0,0,0,0|1,0,0]=3 33801 B14R1.123 ClCCCOCCOc1ccccc1 34a_100000230001_100000184471 [0,2,0,0,0,0|1,0,0]=3 33802 B14R1.123 ClCCCOCCSc1ccccc1 34a_100000230001_100000246102 [0,2,0,0,0,0|1,0,0]=3 33803 B14R1.123 ClCCCOCOCc1ccccc1 34a_100000230001_100000763385 [0,2,0,0,0,0|1,0,0]=3 33804 B14R1.123 ClCCCOCSCc1ccccc1 34a_100000230001_200011217039 [0,2,0,0,0,0|1,0,0]=3 33805 B14R1.123 ClCCOCCOCc1ccccc1 34a_100011215305_100015291786 [0,2,0,0,0,0|1,0,0]=3 33806 B14R1.123 ClCCOCCOCc1ccccc1 7a_100011215305_100000211182 [0,2,0,0,0,0|1,0,0]=3 33807 B14R1.123 ClCCOCCOCc1ccccn1 34a_100011215305_100000721315 [0,2,0,0,0,0|2,0,0]=4 33808 B14R1.123 ClCCOCCOCc1ccccn1 7a_100011215305_100000721315 [0,2,0,0,0,0|2,0,0]=4 33809 B14R1.123 ClCCOCCOCc1cccnc1 34a_100011215305_100000733263 [0,2,0,0,0,0|2,0,0]=4 33810 B14R1.123 ClCCOCCOCc1cccnc1 7a_100011215305_100000741622 [0,2,0,0,0,0|2,0,0]=4 33811 B14R1.123 ClCCOCCOCc1ccncc1 7a_100011215305_100015193705 [0,2,0,0,0,0|2,0,0]=4 33812 B14R1.123 FCCCCCCNc1ccccc1 34a_100000106764_100015922095 [0,2,0,0,0,0|1,0,0]=3 33813 B14R1.123 FCCCCCCOc1ccccc1 34a_100000210340_100015922095 [0,2,0,0,0,0|1,0,0]=3 33814 B14R1.123 FCCCCCCOc1ccccc1 7a_100000210340_100015922095 [0,2,0,0,0,0|1,0,0]=3 33815 B14R1.123 FCCCCCCOc1cccnc1 34a_100000210849_100015922095 [0,2,0,0,0,0|2,0,0]=4 33816 B14R1.123 FCCCCCCOc1cccnc1 7a_100000210849_100015922095 [0,2,0,0,0,0|2,0,0]=4 33817 B14R1.123 FCCCCCCOc1ccncc1 34a_100000212176_100015922095 [0,2,0,0,0,0|2,0,0]=4 33818 B14R1.123 FCCCCCCSc1ccccc1 62a_100000719477_100015922095 [0,2,0,0,0,0|1,0,0]=3 33819 B14R1.123 FCCCCCCSc1ccccc1 62a_100015922095_100000041952 [0,2,0,0,0,0|1,0,0]=3 33820 B14R1.123 FCCCCCCSc1ccccn1 62a_100011216584_100015922095 [0,2,0,0,0,0|2,0,0]=4 33821 B14R1.123 FCCCCCCSc1ccccn1 62a_100015922095_100011216584 [0,2,0,0,0,0|2,0,0]=4 33822 B14R1.123 FCCCCCCSc1cccnc1 62a_100000210063_100015922095 [0,2,0,0,0,0|2,0,0]=4 33823 B14R1.123 FCCCCCCSc1cccnc1 62a_100015922095_100000210063 [0,2,0,0,0,0|2,0,0]=4 33824 B14R1.123 FCCCCCCSc1ccncc1 62a_100000728582_100015922095 [0,2,0,0,0,0|2,0,0]=4 33825 B14R1.123 FCCCCCCSc1ccncc1 62a_100015922095_100000728582 [0,2,0,0,0,0|2,0,0]=4 33826 B14R1.123 FCCCCCNCc1ccccc1 2230a_100015324214_100000729378 [0,2,0,0,0,0|1,0,0]=3 33827 B14R1.123 FCCCCCNCc1ccccc1 34a_100015324214_100000729378 [0,2,0,0,0,0|1,0,0]=3 33828 B14R1.123 FCCCCCOCc1ccccc1 34a_100000210790_100000729378 [0,2,0,0,0,0|1,0,0]=3 33829 B14R1.123 FCCCCCOCc1ccccc1 7a_100000210790_100000729378 [0,2,0,0,0,0|1,0,0]=3 33830 B14R1.123 FCCCCCSCc1ccccc1 62a_100000211182_100000729378 [0,2,0,0,0,0|1,0,0]=3 33831 B14R1.123 FCCCCCSCc1ccccc1 62a_100000729378_100015291786 [0,2,0,0,0,0|1,0,0]=3 33832 B14R1.123 FCCCCCSCc1ccccn1 62a_100000721315_100000729378 [0,2,0,0,0,0|2,0,0]=4 33833 B14R1.123 FCCCCCSCc1ccccn1 62a_100000729378_100000721315 [0,2,0,0,0,0|2,0,0]=4 33834 B14R1.123 FCCCCCSCc1cccnc1 62a_100000729378_100000741622 [0,2,0,0,0,0|2,0,0]=4 33835 B14R1.123 FCCCCCSCc1cccnc1 62a_100000741622_100000729378 [0,2,0,0,0,0|2,0,0]=4 33836 B14R1.123 FCCCCCSCc1ccncc1 62a_100000729378_100015193705 [0,2,0,0,0,0|2,0,0]=4 33837 B14R1.123 FCCCCCSCc1ccncc1 62a_100015193705_100000729378 [0,2,0,0,0,0|2,0,0]=4 33838 B14R1.123 FCCCCNCCc1ccccc1 2230a_100000106460_100000729493 [0,2,0,0,0,0|1,0,0]=3 33839 B14R1.123 FCCCCNCCc1ccccc1 34a_100000106460_100000729493 [0,2,0,0,0,0|1,0,0]=3 33840 B14R1.123 FCCCCNCCc1cccnc1 2230a_100000736294_100000729493 [0,2,0,0,0,0|2,0,0]=4 33841 B14R1.123 FCCCCOCCc1ccccc1 34a_100000210268_100000729493 [0,2,0,0,0,0|1,0,0]=3 33842 B14R1.123 FCCCCOCCc1ccccc1 34a_100011995726_100000765856 [0,2,0,0,0,0|1,0,0]=3 33843 B14R1.123 FCCCCOCCc1ccccc1 7a_100000210268_100000729493 [0,2,0,0,0,0|1,0,0]=3 33844 B14R1.123 FCCCCOCCc1ccccc1 7a_100011995726_100000765856 [0,2,0,0,0,0|1,0,0]=3 33845 B14R1.123 FCCCCOCCc1ccccn1 34a_100000210271_100000729493 [0,2,0,0,0,0|2,0,0]=4 33846 B14R1.123 FCCCCOCCc1ccccn1 7a_100011995726_100015183660 [0,2,0,0,0,0|2,0,0]=4 33847 B14R1.123 FCCCCOCCc1cccnc1 34a_100011217484_100000729493 [0,2,0,0,0,0|2,0,0]=4 33848 B14R1.123 FCCCCOCCc1cccnc1 7a_100011995726_200011713674 [0,2,0,0,0,0|2,0,0]=4 33849 B14R1.123 FCCCCOCCc1ccncc1 34a_100011216225_100000729493 [0,2,0,0,0,0|2,0,0]=4 33850 B14R1.123 FCCCCOCCc1ccncc1 7a_100011995726_100000723409 [0,2,0,0,0,0|2,0,0]=4 33851 B14R1.123 FCCCCSCCc1ccccc1 62a_100000729493_100011218657 [0,2,0,0,0,0|1,0,0]=3 33852 B14R1.123 FCCCCSCCc1ccccc1 62a_100000765856_100000729493 [0,2,0,0,0,0|1,0,0]=3 33853 B14R1.123 FCCCCSCCc1ccccn1 62a_100000729493_100015183660 [0,2,0,0,0,0|2,0,0]=4 33854 B14R1.123 FCCCCSCCc1ccccn1 62a_100015183660_100000729493 [0,2,0,0,0,0|2,0,0]=4 33855 B14R1.123 FCCCCSCCc1cccnc1 62a_100000729493_200011713674 [0,2,0,0,0,0|2,0,0]=4 33856 B14R1.123 FCCCCSCCc1cccnc1 62a_200011713674_100000729493 [0,2,0,0,0,0|2,0,0]=4 33857 B14R1.123 FCCCCSCCc1ccncc1 62a_100000723409_100000729493 [0,2,0,0,0,0|2,0,0]=4 33858 B14R1.123 FCCCCSCCc1ccncc1 62a_100000729493_100000723409 [0,2,0,0,0,0|2,0,0]=4 33859 B14R1.123 FCCCCSCSc1ccccc1 62a_100000729493_100011218342 [0,2,0,0,0,0|1,0,0]=3 33860 B14R1.123 FCCCCSCSc1ccccc1 62a_100011218342_100000729493 [0,2,0,0,0,0|1,0,0]=3 33861 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100015189416_100016265936 [0,2,0,0,0,0|1,0,1]=4 33862 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100020603302_100011934791 [0,2,0,0,0,0|1,0,1]=4 33863 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100015189416_100016265936 [0,2,0,0,0,0|1,0,1]=4 33864 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100020603302_100011934791 [0,2,0,0,0,0|1,0,1]=4 33865 B14R1.123 FCCCNCC#Cc1ccccc1 2230a_100015189416_100011352542 [0,2,0,0,0,0|1,0,1]=4 33866 B14R1.123 FCCCNCC#Cc1ccccc1 34a_100000735379_100011934791 [0,2,0,0,0,0|1,0,1]=4 33867 B14R1.123 FCCCNCC#Cc1ccccc1 34a_100015189416_100011352542 [0,2,0,0,0,0|1,0,1]=4 33868 B14R1.123 FCCCNCC=Cc1ccccc1 270004a_100015189416_100000210105 [0,2,0,0,0,0|1,0,1]=4 33869 B14R1.123 FCCCNCCCc1ccccc1 2230a_100000211184_100011934791 [0,2,0,0,0,0|1,0,0]=3 33870 B14R1.123 FCCCNCCCc1ccccc1 2230a_100015189416_100000211621 [0,2,0,0,0,0|1,0,0]=3 33871 B14R1.123 FCCCNCCCc1ccccc1 34a_100000211184_100011934791 [0,2,0,0,0,0|1,0,0]=3 33872 B14R1.123 FCCCNCCCc1ccccc1 34a_100015189416_100000211621 [0,2,0,0,0,0|1,0,0]=3 33873 B14R1.123 FCCCNCCCc1cccnc1 2230a_100011532358_100011934791 [0,2,0,0,0,0|2,0,0]=4 33874 B14R1.123 FCCCNCCCc1cccnc1 34a_100011532358_100011934791 [0,2,0,0,0,0|2,0,0]=4 33875 B14R1.123 FCCCNCCCc1ccncc1 2230a_100011275580_100011934791 [0,2,0,0,0,0|2,0,0]=4 33876 B14R1.123 FCCCNCCOc1ccccc1 2230a_100000174943_100011934791 [0,2,0,0,0,0|1,0,0]=3 33877 B14R1.123 FCCCNCCOc1ccccc1 2230a_100015189416_100000184471 [0,2,0,0,0,0|1,0,0]=3 33878 B14R1.123 FCCCNCCOc1ccccc1 270004a_100015189416_100000758736 [0,2,0,0,0,0|1,0,0]=3 33879 B14R1.123 FCCCNCCOc1ccccc1 34a_100000174943_100011934791 [0,2,0,0,0,0|1,0,0]=3 33880 B14R1.123 FCCCNCCOc1ccccc1 34a_100015189416_100000184471 [0,2,0,0,0,0|1,0,0]=3 33881 B14R1.123 FCCCNCCOc1ccccn1 2230a_106741647558_100011934791 [0,2,0,0,0,0|2,0,0]=4 33882 B14R1.123 FCCCNCCOc1cccnc1 2230a_100000754688_100011934791 [0,2,0,0,0,0|2,0,0]=4 33883 B14R1.123 FCCCNCCSc1ccccc1 2230a_100000189519_100011934791 [0,2,0,0,0,0|1,0,0]=3 33884 B14R1.123 FCCCNCCSc1ccccc1 2230a_100015189416_100000246102 [0,2,0,0,0,0|1,0,0]=3 33885 B14R1.123 FCCCNCCSc1ccccc1 34a_100015189416_100000246102 [0,2,0,0,0,0|1,0,0]=3 33886 B14R1.123 FCCCNCOCc1ccccc1 2230a_100015189416_100000763385 [0,2,0,0,0,0|1,0,0]=3 33887 B14R1.123 FCCCNCOCc1ccccc1 34a_100015189416_100000763385 [0,2,0,0,0,0|1,0,0]=3 33888 B14R1.123 FCCCNCSCc1ccccc1 2230a_100015189416_200011217039 [0,2,0,0,0,0|1,0,0]=3 33889 B14R1.123 FCCCNCSCc1ccccc1 34a_100015189416_200011217039 [0,2,0,0,0,0|1,0,0]=3 33890 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [0,2,0,0,0,0|1,0,1]=4 33891 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [0,2,0,0,0,0|1,0,1]=4 33892 B14R1.123 FCCCOCC#Cc1ccccc1 34a_100000759539_100011352542 [0,2,0,0,0,0|1,0,1]=4 33893 B14R1.123 FCCCOCC#Cc1ccccc1 34a_100011217464_100011934791 [0,2,0,0,0,0|1,0,1]=4 33894 B14R1.123 FCCCOCC#Cc1ccccc1 7a_100011217464_100011934791 [0,2,0,0,0,0|1,0,1]=4 33895 B14R1.123 FCCCOCCCc1ccccc1 34a_100000210828_100011934791 [0,2,0,0,0,0|1,0,0]=3 33896 B14R1.123 FCCCOCCCc1ccccc1 34a_100000759539_100000211621 [0,2,0,0,0,0|1,0,0]=3 33897 B14R1.123 FCCCOCCCc1ccccc1 7a_100000210828_100011934791 [0,2,0,0,0,0|1,0,0]=3 33898 B14R1.123 FCCCOCCCc1ccccn1 34a_100011215068_100011934791 [0,2,0,0,0,0|2,0,0]=4 33899 B14R1.123 FCCCOCCCc1cccnc1 34a_100000211284_100011934791 [0,2,0,0,0,0|2,0,0]=4 33900 B14R1.123 FCCCOCCCc1ccncc1 34a_100000210659_100011934791 [0,2,0,0,0,0|2,0,0]=4 33901 B14R1.123 FCCCOCCNc1ccccc1 34a_100000211345_100011934791 [0,2,0,0,0,0|1,0,0]=3 33902 B14R1.123 FCCCOCCNc1ccncc1 34a_200011243140_100011934791 [0,2,0,0,0,0|2,0,0]=4 33903 B14R1.123 FCCCOCCOc1ccccc1 34a_100000210260_100011934791 [0,2,0,0,0,0|1,0,0]=3 33904 B14R1.123 FCCCOCCOc1ccccc1 34a_100000759539_100000184471 [0,2,0,0,0,0|1,0,0]=3 33905 B14R1.123 FCCCOCCOc1ccccc1 7a_100000210260_100011934791 [0,2,0,0,0,0|1,0,0]=3 33906 B14R1.123 FCCCOCCSc1ccccc1 34a_100000759539_100000246102 [0,2,0,0,0,0|1,0,0]=3 33907 B14R1.123 FCCCOCCSc1ccccc1 7a_100000230494_100011934791 [0,2,0,0,0,0|1,0,0]=3 33908 B14R1.123 FCCCOCCSc1ccccn1 7a_100000156319_100011934791 [0,2,0,0,0,0|2,0,0]=4 33909 B14R1.123 FCCCOCOCc1ccccc1 34a_100000759539_100000763385 [0,2,0,0,0,0|1,0,0]=3 33910 B14R1.123 FCCCOCSCc1ccccc1 34a_100000759539_200011217039 [0,2,0,0,0,0|1,0,0]=3 33911 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100011934791_100016265936 [0,2,0,0,0,0|1,0,1]=4 33912 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100016265936_100011934791 [0,2,0,0,0,0|1,0,1]=4 33913 B14R1.123 FCCCSCC#Cc1ccccc1 62a_100011934791_100011352542 [0,2,0,0,0,0|1,0,1]=4 33914 B14R1.123 FCCCSCCCc1ccccc1 62a_100000211621_100011934791 [0,2,0,0,0,0|1,0,0]=3 33915 B14R1.123 FCCCSCCCc1ccccc1 62a_100011934791_100000211621 [0,2,0,0,0,0|1,0,0]=3 33916 B14R1.123 FCCCSCCOc1ccccc1 62a_100000184471_100011934791 [0,2,0,0,0,0|1,0,0]=3 33917 B14R1.123 FCCCSCCOc1ccccc1 62a_100011934791_100000184471 [0,2,0,0,0,0|1,0,0]=3 33918 B14R1.123 FCCCSCCSc1ccccc1 62a_100000246102_100011934791 [0,2,0,0,0,0|1,0,0]=3 33919 B14R1.123 FCCCSCCSc1ccccc1 62a_100011934791_100000246102 [0,2,0,0,0,0|1,0,0]=3 33920 B14R1.123 FCCCSCOCc1ccccc1 62a_100000763385_100011934791 [0,2,0,0,0,0|1,0,0]=3 33921 B14R1.123 FCCCSCOCc1ccccc1 62a_100011934791_100000763385 [0,2,0,0,0,0|1,0,0]=3 33922 B14R1.123 FCCCSCSCc1ccccc1 62a_100011934791_200011217039 [0,2,0,0,0,0|1,0,0]=3 33923 B14R1.123 FCCCSCSCc1ccccc1 62a_200011217039_100011934791 [0,2,0,0,0,0|1,0,0]=3 33924 B14R1.123 FCCNCCCCc1ccccc1 2230a_100015280158_100011217306 [0,2,0,0,0,0|1,0,0]=3 33925 B14R1.123 FCCNCCCCc1ccccc1 34a_100000724931_100000701786 [0,2,0,0,0,0|1,0,0]=3 33926 B14R1.123 FCCNCCCCc1ccccc1 34a_100015280158_100011217306 [0,2,0,0,0,0|1,0,0]=3 33927 B14R1.123 FCCNCCCOc1ccccc1 2230a_100000216521_100011217306 [0,2,0,0,0,0|1,0,0]=3 33928 B14R1.123 FCCNCCCOc1ccccc1 34a_100000216521_100011217306 [0,2,0,0,0,0|1,0,0]=3 33929 B14R1.123 FCCNCCCOc1ccccc1 34a_100000724931_100000199009 [0,2,0,0,0,0|1,0,0]=3 33930 B14R1.123 FCCNCCCSc1ccccc1 2230a_100000184639_100011217306 [0,2,0,0,0,0|1,0,0]=3 33931 B14R1.123 FCCNCCCSc1ccccc1 34a_100000724931_200011203293 [0,2,0,0,0,0|1,0,0]=3 33932 B14R1.123 FCCNCCOCc1ccccc1 2230a_100000753106_100011217306 [0,2,0,0,0,0|1,0,0]=3 33933 B14R1.123 FCCNCCOCc1ccccc1 34a_100000724931_100000234347 [0,2,0,0,0,0|1,0,0]=3 33934 B14R1.123 FCCNCCOCc1ccccc1 34a_100000753106_100011217306 [0,2,0,0,0,0|1,0,0]=3 33935 B14R1.123 FCCNCCSCc1ccccc1 2230a_100000189534_100011217306 [0,2,0,0,0,0|1,0,0]=3 33936 B14R1.123 FCCNCCSCc1ccccc1 34a_100000189534_100011217306 [0,2,0,0,0,0|1,0,0]=3 33937 B14R1.123 FCCNCCSCc1ccccc1 34a_100000724931_200011297719 [0,2,0,0,0,0|1,0,0]=3 33938 B14R1.123 FCCNCCSCc1ccccc1 7a_100000189534_100011217306 [0,2,0,0,0,0|1,0,0]=3 33939 B14R1.123 FCCOCCC#Cc1ccccc1 34a_100000760064_100011217306 [0,2,0,0,0,0|1,0,1]=4 33940 B14R1.123 FCCOCCC#Cc1ccccc1 7a_100000760064_100011217306 [0,2,0,0,0,0|1,0,1]=4 33941 B14R1.123 FCCOCCCCc1ccccc1 34a_100000703073_100011217306 [0,2,0,0,0,0|1,0,0]=3 33942 B14R1.123 FCCOCCCCc1ccccc1 7a_100000703073_100011217306 [0,2,0,0,0,0|1,0,0]=3 33943 B14R1.123 FCCOCCCCc1ccccn1 34a_100012186994_100011217306 [0,2,0,0,0,0|2,0,0]=4 33944 B14R1.123 FCCOCCCCc1cccnc1 34a_100012039607_100011217306 [0,2,0,0,0,0|2,0,0]=4 33945 B14R1.123 FCCOCCCCc1cccnc1 7a_100012039607_100011217306 [0,2,0,0,0,0|2,0,0]=4 33946 B14R1.123 FCCOCCCCc1ccncc1 34a_100011787716_100011217306 [0,2,0,0,0,0|2,0,0]=4 33947 B14R1.123 FCCOCCCNc1ccccc1 34a_100000212590_100011217306 [0,2,0,0,0,0|1,0,0]=3 33948 B14R1.123 FCCOCCCOc1ccccc1 34a_100011215863_100011217306 [0,2,0,0,0,0|1,0,0]=3 33949 B14R1.123 FCCOCCCOc1ccccc1 7a_100011215863_100011217306 [0,2,0,0,0,0|1,0,0]=3 33950 B14R1.123 FCCOCCNCc1ccccc1 34a_100000180844_100011217306 [0,2,0,0,0,0|1,0,0]=3 33951 B14R1.123 FCCOCCOCc1ccccc1 34a_100000759325_100011217306 [0,2,0,0,0,0|1,0,0]=3 33952 B14R1.123 FCCOCCOCc1ccccc1 34a_200015357709_100015291786 [0,2,0,0,0,0|1,0,0]=3 33953 B14R1.123 FCCOCCOCc1ccccc1 7a_100000759325_100011217306 [0,2,0,0,0,0|1,0,0]=3 33954 B14R1.123 FCCOCCOCc1ccccc1 7a_200015357709_100000211182 [0,2,0,0,0,0|1,0,0]=3 33955 B14R1.123 FCCOCCOCc1ccccn1 34a_200015357709_100000721315 [0,2,0,0,0,0|2,0,0]=4 33956 B14R1.123 FCCOCCOCc1ccccn1 7a_200015357709_100000721315 [0,2,0,0,0,0|2,0,0]=4 33957 B14R1.123 FCCOCCOCc1cccnc1 34a_200015357709_100000733263 [0,2,0,0,0,0|2,0,0]=4 33958 B14R1.123 FCCOCCOCc1cccnc1 7a_200015357709_100000741622 [0,2,0,0,0,0|2,0,0]=4 33959 B14R1.123 FCCOCCOCc1ccncc1 7a_200015357709_100015193705 [0,2,0,0,0,0|2,0,0]=4 33960 B14R1.123 FCCOCCSCc1ccccc1 34a_100011205989_100011217306 [0,2,0,0,0,0|1,0,0]=3 33961 B14R1.123 FCCOCCSCc1ccccc1 7a_100011205989_100011217306 [0,2,0,0,0,0|1,0,0]=3 33962 B14R1.123 FCCSCCCCc1ccccc1 62a_100000701786_100011217306 [0,2,0,0,0,0|1,0,0]=3 33963 B14R1.123 FCCSCCCCc1ccccc1 62a_100011217306_100000701786 [0,2,0,0,0,0|1,0,0]=3 33964 B14R1.123 FCCSCCCCc1ccncc1 62a_100011217306_100020630000 [0,2,0,0,0,0|2,0,0]=4 33965 B14R1.123 FCCSCCCCc1ccncc1 62a_100020630000_100011217306 [0,2,0,0,0,0|2,0,0]=4 33966 B14R1.123 FCCSCCCOc1ccccc1 62a_100000199009_100011217306 [0,2,0,0,0,0|1,0,0]=3 33967 B14R1.123 FCCSCCCOc1ccccc1 62a_100011217306_100000199009 [0,2,0,0,0,0|1,0,0]=3 33968 B14R1.123 FCCSCCCSc1ccccc1 62a_100011217306_200011203293 [0,2,0,0,0,0|1,0,0]=3 33969 B14R1.123 FCCSCCCSc1ccccc1 62a_200011203293_100011217306 [0,2,0,0,0,0|1,0,0]=3 33970 B14R1.123 FCCSCCOCc1ccccc1 62a_100000234347_100011217306 [0,2,0,0,0,0|1,0,0]=3 33971 B14R1.123 FCCSCCOCc1ccccc1 62a_100011217306_100000234347 [0,2,0,0,0,0|1,0,0]=3 33972 B14R1.123 FCCSCCSCc1ccccc1 62a_100011217306_200011297719 [0,2,0,0,0,0|1,0,0]=3 33973 B14R1.123 FCCSCCSCc1ccccc1 62a_200011297719_100011217306 [0,2,0,0,0,0|1,0,0]=3 33974 B14R1.123 FCNCCCCCc1ccccc1 34a_100000750932_100015361967 [0,2,0,0,0,0|1,0,0]=3 33975 B14R1.123 FCNCCCOCc1ccccc1 34a_200000206031_100015361967 [0,2,0,0,0,0|1,0,0]=3 33976 B14R1.123 FCOCCCC#Cc1ccccc1 34a_100011217234_100015361967 [0,2,0,0,0,0|0,0,2]=4 33977 B14R1.123 FCOCCCC#Cc1ccccc1 7a_100011217234_100015361967 [0,2,0,0,0,0|0,0,2]=4 33978 B14R1.123 FCOCCCCCc1ccccc1 34a_200011219639_100015361967 [0,2,0,0,0,0|0,0,0]=2 33979 B14R1.123 FCOCCCCCc1ccccc1 7a_200011219639_100015361967 [0,2,0,0,0,0|0,0,0]=2 33980 B14R1.123 FCOCCCCOc1ccccc1 34a_100000752354_100015361967 [0,2,0,0,0,0|1,0,0]=3 33981 B14R1.123 FCOCCCCOc1ccccc1 7a_100000752354_100015361967 [0,2,0,0,0,0|1,0,0]=3 33982 B14R1.123 FCOCCCNCc1ccccc1 34a_100000185501_100015361967 [0,2,0,0,0,0|1,0,0]=3 33983 B14R1.123 FCOCCCOCc1ccccc1 34a_100000691849_100015361967 [0,2,0,0,0,0|1,0,0]=3 33984 B14R1.123 FCOCCCOCc1ccccc1 7a_100000691849_100015361967 [0,2,0,0,0,0|1,0,0]=3 33985 B14R1.123 FCOCCSCCc1ccccn1 34a_100011362645_100015361967 [0,2,0,0,0,0|2,0,0]=4 33986 B14R1.123 FCOCCSCCc1ccccn1 7a_100011362645_100015361967 [0,2,0,0,0,0|2,0,0]=4 33987 B14R1.123 FCOCCSCCc1ccncc1 34a_200011193335_100015361967 [0,2,0,0,0,0|2,0,0]=4 33988 B14R1.123 FCOCCSCCc1ccncc1 7a_200011193335_100015361967 [0,2,0,0,0,0|2,0,0]=4 33989 B14R1.123 FCSCCCCCc1ccccc1 62a_100015361967_200011217138 [0,2,0,0,0,0|0,1,0]=3 33990 B14R1.123 FCSCCCCCc1ccccc1 62a_200011217138_100015361967 [0,2,0,0,0,0|0,1,0]=3 33991 B14R1.123 FCSCCCCOc1ccccc1 62a_100011215240_100015361967 [0,2,0,0,0,0|1,0,0]=3 33992 B14R1.123 FCSCCCCOc1ccccc1 62a_100015361967_100011215240 [0,2,0,0,0,0|1,0,0]=3 33993 B14R1.123 FCSCCCOCc1ccccc1 62a_100011215529_100015361967 [0,2,0,0,0,0|1,0,0]=3 33994 B14R1.123 FCSCCCOCc1ccccc1 62a_100015361967_100011215529 [0,2,0,0,0,0|1,0,0]=3 33995 B14R1.123 ICCCCCOCc1ccccc1 34a_200012148887_100015291786 [0,2,0,0,0,0|1,0,0]=3 33996 B14R1.123 ICCCCCOCc1ccccc1 7a_200012148887_100000211182 [0,2,0,0,0,0|1,0,0]=3 33997 B14R1.123 ICCCCCOCc1ccccn1 34a_200012148887_100000721315 [0,2,0,0,0,0|2,0,0]=4 33998 B14R1.123 ICCCCCOCc1ccccn1 7a_200012148887_100000721315 [0,2,0,0,0,0|2,0,0]=4 33999 B14R1.123 ICCCCCOCc1cccnc1 34a_200012148887_100000733263 [0,2,0,0,0,0|2,0,0]=4 34000 B14R1.123 ICCCCCOCc1cccnc1 7a_200012148887_100000741622 [0,2,0,0,0,0|2,0,0]=4 34001 B14R1.123 ICCCCCOCc1ccncc1 7a_200012148887_100015193705 [0,2,0,0,0,0|2,0,0]=4 34002 B14R1.123 ICCCCOCCc1ccccc1 34a_200012148704_100000765856 [0,2,0,0,0,0|1,0,0]=3 34003 B14R1.123 ICCOCCOCc1ccccc1 34a_100012149058_100015291786 [0,2,0,0,0,0|1,0,0]=3 34004 B14R1.123 ICCOCCOCc1ccccc1 7a_100012149058_100000211182 [0,2,0,0,0,0|1,0,0]=3 34005 B14R1.123 ICCOCCOCc1ccccn1 34a_100012149058_100000721315 [0,2,0,0,0,0|2,0,0]=4 34006 B14R1.123 ICCOCCOCc1ccccn1 7a_100012149058_100000721315 [0,2,0,0,0,0|2,0,0]=4 34007 B14R1.123 ICCOCCOCc1cccnc1 34a_100012149058_100000733263 [0,2,0,0,0,0|2,0,0]=4 34008 B14R1.123 ICCOCCOCc1cccnc1 7a_100012149058_100000741622 [0,2,0,0,0,0|2,0,0]=4 34009 B14R1.123 ICCOCCOCc1ccncc1 7a_100012149058_100015193705 [0,2,0,0,0,0|2,0,0]=4 34010 B14R1.123 N#CCCCCCOc1ccccc1 7a_100000210340_100009813376 [0,2,0,0,0,0|1,0,0]=3 34011 B14R1.123 N#CCCCCCOc1cccnc1 7a_100000210849_100009813376 [0,2,0,0,0,0|2,0,0]=4 34012 B14R1.123 N#CCCCCCSc1ccccc1 62a_100000719477_100009813376 [0,2,0,0,0,0|1,0,0]=3 34013 B14R1.123 N#CCCCCCSc1ccccc1 62a_100009813376_100000041952 [0,2,0,0,0,0|1,0,0]=3 34014 B14R1.123 N#CCCCCCSc1ccccn1 62a_100009813376_100011216584 [0,2,0,0,0,0|2,0,0]=4 34015 B14R1.123 N#CCCCCCSc1ccccn1 62a_100011216584_100009813376 [0,2,0,0,0,0|2,0,0]=4 34016 B14R1.123 N#CCCCCCSc1cccnc1 62a_100000210063_100009813376 [0,2,0,0,0,0|2,0,0]=4 34017 B14R1.123 N#CCCCCCSc1cccnc1 62a_100009813376_100000210063 [0,2,0,0,0,0|2,0,0]=4 34018 B14R1.123 N#CCCCCCSc1ccncc1 62a_100000728582_100009813376 [0,2,0,0,0,0|2,0,0]=4 34019 B14R1.123 N#CCCCCCSc1ccncc1 62a_100009813376_100000728582 [0,2,0,0,0,0|2,0,0]=4 34020 B14R1.123 N#CCCCCNCc1ccccc1 2230a_100015324214_100000211819 [0,2,0,0,0,0|1,0,0]=3 34021 B14R1.123 N#CCCCCNCc1ccccc1 270004a_100000751965_100015611070 [0,2,0,0,0,0|1,0,0]=3 34022 B14R1.123 N#CCCCCNCc1ccccn1 270004a_100000751965_100000209966 [0,2,0,0,0,0|2,0,0]=4 34023 B14R1.123 N#CCCCCNCc1cccnc1 270004a_100000751965_100000209961 [0,2,0,0,0,0|2,0,0]=4 34024 B14R1.123 N#CCCCCOCc1ccccc1 7a_100000210790_100000211819 [0,2,0,0,0,0|1,0,0]=3 34025 B14R1.123 N#CCCCCSCc1ccccc1 62a_100000211182_100000211819 [0,2,0,0,0,0|1,0,0]=3 34026 B14R1.123 N#CCCCCSCc1ccccc1 62a_100011219923_100015291786 [0,2,0,0,0,0|1,0,0]=3 34027 B14R1.123 N#CCCCCSCc1ccccn1 62a_100000721315_100000211819 [0,2,0,0,0,0|2,0,0]=4 34028 B14R1.123 N#CCCCCSCc1ccccn1 62a_100011219923_100000721315 [0,2,0,0,0,0|2,0,0]=4 34029 B14R1.123 N#CCCCCSCc1cccnc1 62a_100000741622_100000211819 [0,2,0,0,0,0|2,0,0]=4 34030 B14R1.123 N#CCCCCSCc1cccnc1 62a_100011219923_100000741622 [0,2,0,0,0,0|2,0,0]=4 34031 B14R1.123 N#CCCCCSCc1ccncc1 62a_100011219923_100015193705 [0,2,0,0,0,0|2,0,0]=4 34032 B14R1.123 N#CCCCCSCc1ccncc1 62a_100015193705_100000211819 [0,2,0,0,0,0|2,0,0]=4 34033 B14R1.123 N#CCCCNCCc1ccccc1 2230a_100000106460_100000687738 [0,2,0,0,0,0|1,0,0]=3 34034 B14R1.123 N#CCCCNCCc1cccnc1 2230a_100000736294_100000687738 [0,2,0,0,0,0|2,0,0]=4 34035 B14R1.123 N#CCCCOCCc1ccccc1 7a_100000210268_100000687738 [0,2,0,0,0,0|1,0,0]=3 34036 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000687738_100011218657 [0,2,0,0,0,0|1,0,0]=3 34037 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000765856_100000687738 [0,2,0,0,0,0|1,0,0]=3 34038 B14R1.123 N#CCCCSCCc1ccccn1 62a_100000687738_100015183660 [0,2,0,0,0,0|2,0,0]=4 34039 B14R1.123 N#CCCCSCCc1ccccn1 62a_100015183660_100000687738 [0,2,0,0,0,0|2,0,0]=4 34040 B14R1.123 N#CCCCSCCc1cccnc1 62a_100000687738_200011713674 [0,2,0,0,0,0|2,0,0]=4 34041 B14R1.123 N#CCCCSCCc1cccnc1 62a_200011713674_100000687738 [0,2,0,0,0,0|2,0,0]=4 34042 B14R1.123 N#CCCCSCCc1ccncc1 62a_100000687738_100000723409 [0,2,0,0,0,0|2,0,0]=4 34043 B14R1.123 N#CCCCSCCc1ccncc1 62a_100000723409_100000687738 [0,2,0,0,0,0|2,0,0]=4 34044 B14R1.123 N#CCCCSCSc1ccccc1 62a_100000687738_100011218342 [0,2,0,0,0,0|1,0,1]=4 34045 B14R1.123 N#CCCCSCSc1ccccc1 62a_100011218342_100000687738 [0,2,0,0,0,0|1,0,1]=4 34046 B14R1.123 N#CCCNCCCc1ccccc1 2230a_100000211184_100011215226 [0,2,0,0,0,0|1,0,0]=3 34047 B14R1.123 N#CCCNCCCc1cccnc1 2230a_100011532358_100011215226 [0,2,0,0,0,0|2,0,0]=4 34048 B14R1.123 N#CCCNCCCc1ccncc1 2230a_100011275580_100011215226 [0,2,0,0,0,0|2,0,0]=4 34049 B14R1.123 N#CCCNCCOc1ccccc1 2230a_100000174943_100011215226 [0,2,0,0,0,0|1,0,1]=4 34050 B14R1.123 N#CCCNCCOc1ccccc1 270004a_100000720768_100000758736 [0,2,0,0,0,0|1,0,1]=4 34051 B14R1.123 N#CCCNCCSc1ccccc1 2230a_100000189519_100011215226 [0,2,0,0,0,0|1,0,1]=4 34052 B14R1.123 N#CCCOCCCc1ccccc1 7a_100000210828_100000184422 [0,2,0,0,0,0|1,0,0]=3 34053 B14R1.123 N#CCCOCCOc1ccccc1 7a_100000210260_100000184422 [0,2,0,0,0,0|1,0,1]=4 34054 B14R1.123 N#CCCOCCSc1ccccc1 7a_100000230494_100000184422 [0,2,0,0,0,0|1,0,1]=4 34055 B14R1.123 N#CCCSCCCc1ccccc1 62a_100000211621_100011215226 [0,2,0,0,0,0|1,0,0]=3 34056 B14R1.123 N#CCCSCCCc1ccccc1 62a_100011215226_100000211621 [0,2,0,0,0,0|1,0,0]=3 34057 B14R1.123 N#CCCSCCOc1ccccc1 62a_100000184471_100011215226 [0,2,0,0,0,0|1,0,1]=4 34058 B14R1.123 N#CCCSCCOc1ccccc1 62a_100011215226_100000184471 [0,2,0,0,0,0|1,0,1]=4 34059 B14R1.123 N#CCCSCCSc1ccccc1 62a_100000246102_100011215226 [0,2,0,0,0,0|1,0,1]=4 34060 B14R1.123 N#CCCSCCSc1ccccc1 62a_100011215226_100000246102 [0,2,0,0,0,0|1,0,1]=4 34061 B14R1.123 N#CCCSCOCc1ccccc1 62a_100000763385_100011215226 [0,2,0,0,0,0|1,0,1]=4 34062 B14R1.123 N#CCCSCOCc1ccccc1 62a_100011215226_100000763385 [0,2,0,0,0,0|1,0,1]=4 34063 B14R1.123 N#CCCSCSCc1ccccc1 62a_100011215226_200011217039 [0,2,0,0,0,0|1,0,1]=4 34064 B14R1.123 N#CCCSCSCc1ccccc1 62a_200011217039_100011215226 [0,2,0,0,0,0|1,0,1]=4 34065 B14R1.123 N#CCNCCCCc1ccccc1 2230a_100015280158_100011215382 [0,2,0,0,0,0|1,0,0]=3 34066 B14R1.123 N#CCNCCCOc1ccccc1 2230a_100000216521_100011215382 [0,2,0,0,0,0|1,0,1]=4 34067 B14R1.123 N#CCNCCCSc1ccccc1 2230a_100000184639_100011215382 [0,2,0,0,0,0|1,0,1]=4 34068 B14R1.123 N#CCNCCOCc1ccccc1 2230a_100000753106_100011215382 [0,2,0,0,0,0|1,0,1]=4 34069 B14R1.123 N#CCNCCSCc1ccccc1 2230a_100000189534_100011215382 [0,2,0,0,0,0|1,0,1]=4 34070 B14R1.123 N#CCNCCSCc1ccccc1 7a_100000189534_100011215382 [0,2,0,0,0,0|1,0,1]=4 34071 B14R1.123 N#CCOCCCCc1ccccc1 7a_100000703073_100011215382 [0,2,0,0,0,0|1,0,0]=3 34072 B14R1.123 N#CCOCCCCc1cccnc1 7a_100012039607_100011215382 [0,2,0,0,0,0|2,0,0]=4 34073 B14R1.123 N#CCOCCCOc1ccccc1 7a_100011215863_100011215382 [0,2,0,0,0,0|1,0,1]=4 34074 B14R1.123 N#CCOCCNCc1ccccc1 2230a_100015324214_200000047693 [0,2,0,0,0,0|1,0,1]=4 34075 B14R1.123 N#CCOCCOCc1ccccc1 7a_100000210790_200000047693 [0,2,0,0,0,0|1,0,1]=4 34076 B14R1.123 N#CCOCCOCc1ccccc1 7a_100000759325_100011215382 [0,2,0,0,0,0|1,0,1]=4 34077 B14R1.123 N#CCOCCSCc1ccccc1 62a_100000211182_200000047693 [0,2,0,0,0,0|1,0,1]=4 34078 B14R1.123 N#CCOCCSCc1ccccc1 62a_200000047693_100015291786 [0,2,0,0,0,0|1,0,1]=4 34079 B14R1.123 N#CCOCCSCc1ccccc1 7a_100011205989_100011215382 [0,2,0,0,0,0|1,0,1]=4 34080 B14R1.123 N#CCSCCCCc1ccccc1 62a_100000701786_100011215382 [0,2,0,0,0,0|1,0,0]=3 34081 B14R1.123 N#CCSCCCCc1ccccc1 62a_100011215382_100000701786 [0,2,0,0,0,0|1,0,0]=3 34082 B14R1.123 N#CCSCCCCc1ccncc1 62a_100011215382_100020630000 [0,2,0,0,0,0|2,0,0]=4 34083 B14R1.123 N#CCSCCCCc1ccncc1 62a_100020630000_100011215382 [0,2,0,0,0,0|2,0,0]=4 34084 B14R1.123 N#CCSCCCOc1ccccc1 62a_100000199009_100011215382 [0,2,0,0,0,0|1,0,1]=4 34085 B14R1.123 N#CCSCCCOc1ccccc1 62a_100011215382_100000199009 [0,2,0,0,0,0|1,0,1]=4 34086 B14R1.123 N#CCSCCCSc1ccccc1 62a_100011215382_200011203293 [0,2,0,0,0,0|1,0,1]=4 34087 B14R1.123 N#CCSCCCSc1ccccc1 62a_200011203293_100011215382 [0,2,0,0,0,0|1,0,1]=4 34088 B14R1.123 N#CCSCCOCc1ccccc1 62a_100000234347_100011215382 [0,2,0,0,0,0|1,0,1]=4 34089 B14R1.123 N#CCSCCOCc1ccccc1 62a_100011215382_100000234347 [0,2,0,0,0,0|1,0,1]=4 34090 B14R1.123 N#CCSCCSCc1ccccc1 62a_100011215382_200011297719 [0,2,0,0,0,0|1,0,1]=4 34091 B14R1.123 N#CCSCCSCc1ccccc1 62a_200011297719_100011215382 [0,2,0,0,0,0|1,0,1]=4 34092 B14R1.123 N#CSCCSCCc1ccccc1 62a_100000034367_100011218657 [0,2,0,0,0,0|1,0,1]=4 34093 B14R1.123 N#CSCCSCCc1ccccc1 62a_100000765856_100000034367 [0,2,0,0,0,0|1,0,1]=4 34094 B14R1.123 N#CSCSCCCc1ccccc1 62a_100000211621_100000211825 [0,2,0,0,0,0|1,0,1]=4 34095 B14R1.123 N#CSCSCCCc1ccccc1 62a_100000211825_100000211621 [0,2,0,0,0,0|1,0,1]=4 34096 B14R1.123 NCCCCCOCc1ccccc1 34a_100000762737_100015291786 [0,2,0,0,0,0|1,0,0]=3 34097 B14R1.123 NCCCCCOCc1ccccn1 34a_100000762737_100000721315 [0,2,0,0,0,0|2,0,0]=4 34098 B14R1.123 NCCCCCOCc1cccnc1 34a_100000762737_100000733263 [0,2,0,0,0,0|2,0,0]=4 34099 B14R1.123 NCCCCOCCc1ccccc1 34a_100000750430_100000765856 [0,2,0,0,0,0|1,0,0]=3 34100 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [0,2,0,0,0,0|1,0,1]=4 34101 B14R1.123 NCCCOCC#Cc1ccccc1 34a_100000182051_100011352542 [0,2,0,0,0,0|1,0,1]=4 34102 B14R1.123 NCCCOCCCc1ccccc1 34a_100000182051_100000211621 [0,2,0,0,0,0|1,0,0]=3 34103 B14R1.123 NCCCOCCOc1ccccc1 34a_100000182051_100000184471 [0,2,0,0,0,0|1,0,0]=3 34104 B14R1.123 NCCCOCCSc1ccccc1 34a_100000182051_100000246102 [0,2,0,0,0,0|1,0,0]=3 34105 B14R1.123 NCCCOCOCc1ccccc1 34a_100000182051_100000763385 [0,2,0,0,0,0|1,0,0]=3 34106 B14R1.123 NCCCOCSCc1ccccc1 34a_100000182051_200011217039 [0,2,0,0,0,0|1,0,0]=3 34107 B14R1.123 NCCOCCCCc1ccccc1 34a_100000210304_100000701786 [0,2,0,0,0,0|1,0,0]=3 34108 B14R1.123 NCCOCCCOc1ccccc1 34a_100000210304_100000199009 [0,2,0,0,0,0|1,0,0]=3 34109 B14R1.123 NCCOCCCSc1ccccc1 34a_100000210304_200011203293 [0,2,0,0,0,0|1,0,0]=3 34110 B14R1.123 NCCOCCOCc1ccccc1 34a_100000210304_100000234347 [0,2,0,0,0,0|1,0,0]=3 34111 B14R1.123 NCCOCCOCc1ccccc1 34a_100000211614_100015291786 [0,2,0,0,0,0|1,0,0]=3 34112 B14R1.123 NCCOCCOCc1ccccn1 34a_100000211614_100000721315 [0,2,0,0,0,0|2,0,0]=4 34113 B14R1.123 NCCOCCOCc1cccnc1 34a_100000211614_100000733263 [0,2,0,0,0,0|2,0,0]=4 34114 B14R1.123 NCCOCCSCc1ccccc1 34a_100000210304_200011297719 [0,2,0,0,0,0|1,0,0]=3 34115 B14R1.123 NOCCOC/C=C/c1ccccc1 34a_100000700252_100016265936 [0,2,0,0,0,0|0,0,2]=4 34116 B14R1.123 NOCCOCC#Cc1ccccc1 34a_100000700252_100011352542 [0,2,0,0,0,0|0,0,2]=4 34117 B14R1.123 NOCCOCCCc1ccccc1 34a_100000700252_100000211621 [0,2,0,0,0,0|0,0,0]=2 34118 B14R1.123 NOCCOCCOc1ccccc1 34a_100000700252_100000184471 [0,2,0,0,0,0|1,0,0]=3 34119 B14R1.123 NOCCOCCSc1ccccc1 34a_100000700252_100000246102 [0,2,0,0,0,0|1,0,0]=3 34120 B14R1.123 NOCCOCOCc1ccccc1 34a_100000700252_100000763385 [0,2,0,0,0,0|1,0,0]=3 34121 B14R1.123 NOCCOCSCc1ccccc1 34a_100000700252_200011217039 [0,2,0,0,0,0|1,0,0]=3 34122 B14R1.123 O=CCCCCCOc1ccccc1 7a_100000210340_100000139337 [0,2,0,0,0,0|0,0,1]=3 34123 B14R1.123 O=CCCCCCOc1cccnc1 7a_100000210849_100000139337 [0,2,0,0,0,0|1,0,1]=4 34124 B14R1.123 O=CCCCCCSc1ccccc1 62a_100000139337_100000041952 [0,2,0,0,0,0|0,0,1]=3 34125 B14R1.123 O=CCCCCCSc1ccccc1 62a_100000719477_100000139337 [0,2,0,0,0,0|0,0,1]=3 34126 B14R1.123 O=CCCCCCSc1ccccn1 62a_100000139337_100011216584 [0,2,0,0,0,0|1,0,1]=4 34127 B14R1.123 O=CCCCCCSc1ccccn1 62a_100011216584_100000139337 [0,2,0,0,0,0|1,0,1]=4 34128 B14R1.123 O=CCCCCCSc1cccnc1 62a_100000139337_100000210063 [0,2,0,0,0,0|1,0,1]=4 34129 B14R1.123 O=CCCCCCSc1cccnc1 62a_100000210063_100000139337 [0,2,0,0,0,0|1,0,1]=4 34130 B14R1.123 O=CCCCCCSc1ccncc1 62a_100000139337_100000728582 [0,2,0,0,0,0|1,0,1]=4 34131 B14R1.123 O=CCCCCCSc1ccncc1 62a_100000728582_100000139337 [0,2,0,0,0,0|1,0,1]=4 34132 B14R1.123 O=CCCCCNCc1ccccc1 2230a_100015324214_100000139335 [0,2,0,0,0,0|0,0,1]=3 34133 B14R1.123 O=CCCCCOCc1ccccc1 7a_100000210790_100000139335 [0,2,0,0,0,0|0,0,1]=3 34134 B14R1.123 O=CCCCCSCc1ccccc1 62a_100000139335_100015291786 [0,2,0,0,0,0|0,0,1]=3 34135 B14R1.123 O=CCCCCSCc1ccccc1 62a_100000211182_100000139335 [0,2,0,0,0,0|0,0,1]=3 34136 B14R1.123 O=CCCCCSCc1ccccn1 62a_100000139335_100000721315 [0,2,0,0,0,0|1,0,1]=4 34137 B14R1.123 O=CCCCCSCc1ccccn1 62a_100000721315_100000139335 [0,2,0,0,0,0|1,0,1]=4 34138 B14R1.123 O=CCCCCSCc1cccnc1 62a_100000139335_100000741622 [0,2,0,0,0,0|1,0,1]=4 34139 B14R1.123 O=CCCCCSCc1cccnc1 62a_100000741622_100000139335 [0,2,0,0,0,0|1,0,1]=4 34140 B14R1.123 O=CCCCCSCc1ccncc1 62a_100000139335_100015193705 [0,2,0,0,0,0|1,0,1]=4 34141 B14R1.123 O=CCCCCSCc1ccncc1 62a_100015193705_100000139335 [0,2,0,0,0,0|1,0,1]=4 34142 B14R1.123 O=CCCCNCCc1ccccc1 2230a_100000106460_200011292268 [0,2,0,0,0,0|0,0,1]=3 34143 B14R1.123 O=CCCCNCCc1cccnc1 2230a_100000736294_200011292268 [0,2,0,0,0,0|1,0,1]=4 34144 B14R1.123 O=CCCCOCCc1ccccc1 7a_100000210268_200011292268 [0,2,0,0,0,0|0,0,1]=3 34145 B14R1.123 O=CCCCSCCc1ccccc1 62a_100000765856_200011292268 [0,2,0,0,0,0|0,0,1]=3 34146 B14R1.123 O=CCCCSCCc1ccccc1 62a_200011292268_100011218657 [0,2,0,0,0,0|0,0,1]=3 34147 B14R1.123 O=CCCCSCCc1ccccn1 62a_100015183660_200011292268 [0,2,0,0,0,0|1,0,1]=4 34148 B14R1.123 O=CCCCSCCc1ccccn1 62a_200011292268_100015183660 [0,2,0,0,0,0|1,0,1]=4 34149 B14R1.123 O=CCCCSCCc1cccnc1 62a_200011292268_200011713674 [0,2,0,0,0,0|1,0,1]=4 34150 B14R1.123 O=CCCCSCCc1cccnc1 62a_200011713674_200011292268 [0,2,0,0,0,0|1,0,1]=4 34151 B14R1.123 O=CCCCSCCc1ccncc1 62a_100000723409_200011292268 [0,2,0,0,0,0|1,0,1]=4 34152 B14R1.123 O=CCCCSCCc1ccncc1 62a_200011292268_100000723409 [0,2,0,0,0,0|1,0,1]=4 34153 B14R1.123 O=CCCCSCSc1ccccc1 62a_100011218342_200011292268 [0,2,0,0,0,0|0,0,2]=4 34154 B14R1.123 O=CCCCSCSc1ccccc1 62a_200011292268_100011218342 [0,2,0,0,0,0|0,0,2]=4 34155 B14R1.123 O=CCNCCCCc1ccccc1 2230a_100015280158_200015260668 [0,2,0,0,0,0|0,0,1]=3 34156 B14R1.123 O=CCNCCCCc1ccccc1 34a_100015280158_200009817547 [0,2,0,0,0,0|0,0,1]=3 34157 B14R1.123 O=CCNCCCOc1ccccc1 2230a_100000216521_200015260668 [0,2,0,0,0,0|0,0,2]=4 34158 B14R1.123 O=CCNCCCOc1ccccc1 34a_100000216521_200009817547 [0,2,0,0,0,0|0,0,2]=4 34159 B14R1.123 O=CCNCCCSc1ccccc1 2230a_100000184639_200015260668 [0,2,0,0,0,0|0,0,2]=4 34160 B14R1.123 O=CCNCCOCc1ccccc1 2230a_100000753106_200015260668 [0,2,0,0,0,0|0,0,2]=4 34161 B14R1.123 O=CCNCCOCc1ccccc1 34a_100000753106_200009817547 [0,2,0,0,0,0|0,0,2]=4 34162 B14R1.123 O=CCNCCSCc1ccccc1 2230a_100000189534_200015260668 [0,2,0,0,0,0|0,0,2]=4 34163 B14R1.123 O=CCNCCSCc1ccccc1 34a_100000189534_200009817547 [0,2,0,0,0,0|0,0,2]=4 34164 B14R1.123 O=CCNCCSCc1ccccc1 7a_100000189534_200015260668 [0,2,0,0,0,0|0,0,2]=4 34165 B14R1.123 O=CCOCCCCc1ccccc1 34a_100000703073_200009817547 [0,2,0,0,0,0|0,0,1]=3 34166 B14R1.123 O=CCOCCCCc1ccccc1 7a_100000703073_200015260668 [0,2,0,0,0,0|0,0,1]=3 34167 B14R1.123 O=CCOCCCCc1ccccn1 34a_100012186994_200009817547 [0,2,0,0,0,0|1,0,1]=4 34168 B14R1.123 O=CCOCCCCc1cccnc1 34a_100012039607_200009817547 [0,2,0,0,0,0|1,0,1]=4 34169 B14R1.123 O=CCOCCCCc1cccnc1 7a_100012039607_200015260668 [0,2,0,0,0,0|1,0,1]=4 34170 B14R1.123 O=CCOCCCCc1ccncc1 34a_100011787716_200009817547 [0,2,0,0,0,0|1,0,1]=4 34171 B14R1.123 O=CCOCCCNc1ccccc1 34a_100000212590_200009817547 [0,2,0,0,0,0|0,0,2]=4 34172 B14R1.123 O=CCOCCCOc1ccccc1 34a_100011215863_200009817547 [0,2,0,0,0,0|0,0,2]=4 34173 B14R1.123 O=CCOCCCOc1ccccc1 7a_100011215863_200015260668 [0,2,0,0,0,0|0,0,2]=4 34174 B14R1.123 O=CCOCCNCc1ccccc1 34a_100000180844_200009817547 [0,2,0,0,0,0|0,0,2]=4 34175 B14R1.123 O=CCOCCOCc1ccccc1 34a_100000759325_200009817547 [0,2,0,0,0,0|0,0,2]=4 34176 B14R1.123 O=CCOCCOCc1ccccc1 7a_100000759325_200015260668 [0,2,0,0,0,0|0,0,2]=4 34177 B14R1.123 O=CCOCCSCc1ccccc1 34a_100011205989_200009817547 [0,2,0,0,0,0|0,0,2]=4 34178 B14R1.123 O=CCOCCSCc1ccccc1 7a_100011205989_200015260668 [0,2,0,0,0,0|0,0,2]=4 34179 B14R1.123 O=CCSCCCCc1ccccc1 62a_100000701786_200015260668 [0,2,0,0,0,0|0,0,1]=3 34180 B14R1.123 O=CCSCCCCc1ccccc1 62a_200015260668_100000701786 [0,2,0,0,0,0|0,0,1]=3 34181 B14R1.123 O=CCSCCCCc1ccncc1 62a_100020630000_200015260668 [0,2,0,0,0,0|1,0,1]=4 34182 B14R1.123 O=CCSCCCCc1ccncc1 62a_200015260668_100020630000 [0,2,0,0,0,0|1,0,1]=4 34183 B14R1.123 O=CCSCCCOc1ccccc1 62a_100000199009_200015260668 [0,2,0,0,0,0|0,0,2]=4 34184 B14R1.123 O=CCSCCCOc1ccccc1 62a_200015260668_100000199009 [0,2,0,0,0,0|0,0,2]=4 34185 B14R1.123 O=CCSCCCSc1ccccc1 62a_200011203293_200015260668 [0,2,0,0,0,0|0,0,2]=4 34186 B14R1.123 O=CCSCCCSc1ccccc1 62a_200015260668_200011203293 [0,2,0,0,0,0|0,0,2]=4 34187 B14R1.123 O=CCSCCOCc1ccccc1 62a_100000234347_200015260668 [0,2,0,0,0,0|0,0,2]=4 34188 B14R1.123 O=CCSCCOCc1ccccc1 62a_200015260668_100000234347 [0,2,0,0,0,0|0,0,2]=4 34189 B14R1.123 O=CCSCCSCc1ccccc1 62a_200011297719_200015260668 [0,2,0,0,0,0|0,0,2]=4 34190 B14R1.123 O=CCSCCSCc1ccccc1 62a_200015260668_200011297719 [0,2,0,0,0,0|0,0,2]=4 34191 B14R1.123 OCC#CCNCCc1ccccc1 2230a_100000106460_200000047223 [0,2,0,0,0,0|0,0,1]=3 34192 B14R1.123 OCC#CCNCCc1ccccc1 34a_100000106460_200000047223 [0,2,0,0,0,0|0,0,1]=3 34193 B14R1.123 OCC#CCNCCc1cccnc1 2230a_100000736294_200000047223 [0,2,0,0,0,0|1,0,1]=4 34194 B14R1.123 OCC#CCOCCc1ccccc1 34a_100000210268_200000047223 [0,2,0,0,0,0|0,0,1]=3 34195 B14R1.123 OCC#CCOCCc1ccccc1 7a_100000210268_200000047223 [0,2,0,0,0,0|0,0,1]=3 34196 B14R1.123 OCC#CCOCCc1ccccn1 34a_100000210271_200000047223 [0,2,0,0,0,0|1,0,1]=4 34197 B14R1.123 OCC#CCOCCc1cccnc1 34a_100011217484_200000047223 [0,2,0,0,0,0|1,0,1]=4 34198 B14R1.123 OCC#CCOCCc1ccncc1 34a_100011216225_200000047223 [0,2,0,0,0,0|1,0,1]=4 34199 B14R1.123 OCC#CCSCCc1ccccc1 62a_100000765856_200000047223 [0,2,0,0,0,0|0,0,1]=3 34200 B14R1.123 OCC#CCSCCc1ccccc1 62a_200000047223_100011218657 [0,2,0,0,0,0|0,0,1]=3 34201 B14R1.123 OCC#CCSCCc1ccccn1 62a_100015183660_200000047223 [0,2,0,0,0,0|1,0,1]=4 34202 B14R1.123 OCC#CCSCCc1ccccn1 62a_200000047223_100015183660 [0,2,0,0,0,0|1,0,1]=4 34203 B14R1.123 OCC#CCSCCc1cccnc1 62a_200000047223_200011713674 [0,2,0,0,0,0|1,0,1]=4 34204 B14R1.123 OCC#CCSCCc1cccnc1 62a_200011713674_200000047223 [0,2,0,0,0,0|1,0,1]=4 34205 B14R1.123 OCC#CCSCCc1ccncc1 62a_100000723409_200000047223 [0,2,0,0,0,0|1,0,1]=4 34206 B14R1.123 OCC#CCSCCc1ccncc1 62a_200000047223_100000723409 [0,2,0,0,0,0|1,0,1]=4 34207 B14R1.123 OCC#CCSCSc1ccccc1 62a_100011218342_200000047223 [0,2,0,0,0,0|0,0,2]=4 34208 B14R1.123 OCC#CCSCSc1ccccc1 62a_200000047223_100011218342 [0,2,0,0,0,0|0,0,2]=4 34209 B14R1.123 OCCCCC=NNc1ccccc1 4a_100015195140_100000031955 [0,2,0,0,0,0|0,0,1]=3 34210 B14R1.123 OCCCCC=NNc1ccccn1 4a_100000183288_100000031955 [0,2,0,0,0,0|1,0,1]=4 34211 B14R1.123 OCCCCC=NNc1cccnc1 4a_100000728903_100000031955 [0,2,0,0,0,0|1,0,1]=4 34212 B14R1.123 OCCCCC=NNc1ccncc1 4a_100000698918_100000031955 [0,2,0,0,0,0|1,0,1]=4 34213 B14R1.123 OCCCCCCNc1ccccc1 34a_100000106764_100000766143 [0,2,0,0,0,0|0,0,0]=2 34214 B14R1.123 OCCCCCCNc1cccnn1 27a_100000686447_100016991348 [0,2,0,0,0,0|2,0,0]=4 34215 B14R1.123 OCCCCCCNc1ccncn1 27a_100000686447_100000703185 [0,2,0,0,0,0|2,0,0]=4 34216 B14R1.123 OCCCCCCNc1cnccn1 27a_100000686447_100000211759 [0,2,0,0,0,0|2,0,0]=4 34217 B14R1.123 OCCCCCCNc1ncccn1 27a_100000686447_100000211032 [0,2,0,0,0,0|2,0,0]=4 34218 B14R1.123 OCCCCCCOc1ccccc1 34a_100000210340_100000766143 [0,2,0,0,0,0|0,0,0]=2 34219 B14R1.123 OCCCCCCOc1ccccc1 7a_100000210340_100000766143 [0,2,0,0,0,0|0,0,0]=2 34220 B14R1.123 OCCCCCCOc1cccnc1 34a_100000210849_100000766143 [0,2,0,0,0,0|1,0,0]=3 34221 B14R1.123 OCCCCCCOc1cccnc1 7a_100000210849_100000766143 [0,2,0,0,0,0|1,0,0]=3 34222 B14R1.123 OCCCCCCOc1ccncc1 34a_100000212176_100000766143 [0,2,0,0,0,0|1,0,0]=3 34223 B14R1.123 OCCCCCCOc1ccnnc1 34a_100015204005_100000766143 [0,2,0,0,0,0|2,0,0]=4 34224 B14R1.123 OCCCCCCOc1cncnc1 7a_100000754086_100000766143 [0,2,0,0,0,0|2,0,0]=4 34225 B14R1.123 OCCCCCCSc1ccccc1 62a_100000719477_100000766143 [0,2,0,0,0,0|0,0,0]=2 34226 B14R1.123 OCCCCCCSc1ccccc1 62a_100000766143_100000041952 [0,2,0,0,0,0|0,0,0]=2 34227 B14R1.123 OCCCCCCSc1ccccn1 62a_100000766143_100011216584 [0,2,0,0,0,0|1,0,0]=3 34228 B14R1.123 OCCCCCCSc1ccccn1 62a_100011216584_100000766143 [0,2,0,0,0,0|1,0,0]=3 34229 B14R1.123 OCCCCCCSc1cccnc1 62a_100000210063_100000766143 [0,2,0,0,0,0|1,0,0]=3 34230 B14R1.123 OCCCCCCSc1cccnc1 62a_100000766143_100000210063 [0,2,0,0,0,0|1,0,0]=3 34231 B14R1.123 OCCCCCCSc1cccnn1 62a_100000766143_100016991348 [0,2,0,0,0,0|2,0,0]=4 34232 B14R1.123 OCCCCCCSc1cccnn1 62a_100016991348_100000766143 [0,2,0,0,0,0|2,0,0]=4 34233 B14R1.123 OCCCCCCSc1ccncc1 62a_100000728582_100000766143 [0,2,0,0,0,0|1,0,0]=3 34234 B14R1.123 OCCCCCCSc1ccncc1 62a_100000766143_100000728582 [0,2,0,0,0,0|1,0,0]=3 34235 B14R1.123 OCCCCCCSc1ccncn1 62a_100000703185_100000766143 [0,2,0,0,0,0|2,0,0]=4 34236 B14R1.123 OCCCCCCSc1ccncn1 62a_100000766143_100000703185 [0,2,0,0,0,0|2,0,0]=4 34237 B14R1.123 OCCCCCCSc1ccnnc1 62a_100000732662_100000766143 [0,2,0,0,0,0|2,0,0]=4 34238 B14R1.123 OCCCCCCSc1ccnnc1 62a_100000766143_100000732662 [0,2,0,0,0,0|2,0,0]=4 34239 B14R1.123 OCCCCCCSc1cnccn1 62a_100000211759_100000766143 [0,2,0,0,0,0|2,0,0]=4 34240 B14R1.123 OCCCCCCSc1cnccn1 62a_100000766143_100000211759 [0,2,0,0,0,0|2,0,0]=4 34241 B14R1.123 OCCCCCCSc1cncnc1 62a_100000766143_100011206942 [0,2,0,0,0,0|2,0,0]=4 34242 B14R1.123 OCCCCCCSc1cncnc1 62a_100011206942_100000766143 [0,2,0,0,0,0|2,0,0]=4 34243 B14R1.123 OCCCCCCSc1ncccn1 62a_100000211032_100000766143 [0,2,0,0,0,0|2,0,0]=4 34244 B14R1.123 OCCCCCCSc1ncccn1 62a_100000766143_100000211032 [0,2,0,0,0,0|2,0,0]=4 34245 B14R1.123 OCCCCCNCc1ccccc1 207a_100000762737_100015611070 [0,2,0,0,0,0|0,0,0]=2 34246 B14R1.123 OCCCCCNCc1ccccc1 2230a_100000762737_100015291786 [0,2,0,0,0,0|0,0,0]=2 34247 B14R1.123 OCCCCCNCc1ccccc1 2230a_100015324214_100000746330 [0,2,0,0,0,0|0,0,0]=2 34248 B14R1.123 OCCCCCNCc1ccccc1 270004a_100000762737_100015611070 [0,2,0,0,0,0|0,0,0]=2 34249 B14R1.123 OCCCCCNCc1ccccc1 34a_100000762737_100015291786 [0,2,0,0,0,0|0,0,0]=2 34250 B14R1.123 OCCCCCNCc1ccccc1 34a_100015324214_100000746330 [0,2,0,0,0,0|0,0,0]=2 34251 B14R1.123 OCCCCCNCc1ccccn1 207a_100000762737_100000209966 [0,2,0,0,0,0|1,0,0]=3 34252 B14R1.123 OCCCCCNCc1ccccn1 2230a_100000762737_100000721315 [0,2,0,0,0,0|1,0,0]=3 34253 B14R1.123 OCCCCCNCc1ccccn1 270004a_100000762737_100000209966 [0,2,0,0,0,0|1,0,0]=3 34254 B14R1.123 OCCCCCNCc1ccccn1 34a_100000762737_100000721315 [0,2,0,0,0,0|1,0,0]=3 34255 B14R1.123 OCCCCCNCc1cccnc1 207a_100000762737_100000209961 [0,2,0,0,0,0|1,0,0]=3 34256 B14R1.123 OCCCCCNCc1cccnc1 2230a_100000762737_100000741622 [0,2,0,0,0,0|1,0,0]=3 34257 B14R1.123 OCCCCCNCc1cccnc1 270004a_100000762737_100000209961 [0,2,0,0,0,0|1,0,0]=3 34258 B14R1.123 OCCCCCNCc1cccnc1 34a_100000762737_100000733263 [0,2,0,0,0,0|1,0,0]=3 34259 B14R1.123 OCCCCCNCc1cccnn1 2230a_100000762737_100016990269 [0,2,0,0,0,0|2,0,0]=4 34260 B14R1.123 OCCCCCNCc1cccnn1 2230a_100159270163_100000746330 [0,2,0,0,0,0|2,0,0]=4 34261 B14R1.123 OCCCCCNCc1cccnn1 34a_100000762737_100016990269 [0,2,0,0,0,0|2,0,0]=4 34262 B14R1.123 OCCCCCNCc1ccncc1 207a_100000762737_100000186114 [0,2,0,0,0,0|1,0,0]=3 34263 B14R1.123 OCCCCCNCc1ccncc1 2230a_100000762737_100015193705 [0,2,0,0,0,0|1,0,0]=3 34264 B14R1.123 OCCCCCNCc1ccnnc1 270004a_100000762737_100011934578 [0,2,0,0,0,0|2,0,0]=4 34265 B14R1.123 OCCCCCNCc1cnccn1 2230a_100000762737_100016995436 [0,2,0,0,0,0|2,0,0]=4 34266 B14R1.123 OCCCCCNCc1cnccn1 270004a_100000762737_100000749867 [0,2,0,0,0,0|2,0,0]=4 34267 B14R1.123 OCCCCCNCc1cnccn1 34a_100000762737_100016995436 [0,2,0,0,0,0|2,0,0]=4 34268 B14R1.123 OCCCCCNCc1cncnc1 2230a_100000762737_100015196519 [0,2,0,0,0,0|2,0,0]=4 34269 B14R1.123 OCCCCCNCc1cncnc1 2230a_100011243677_100000746330 [0,2,0,0,0,0|2,0,0]=4 34270 B14R1.123 OCCCCCNCc1cncnc1 270004a_100000762737_100000749868 [0,2,0,0,0,0|2,0,0]=4 34271 B14R1.123 OCCCCCNCc1cncnc1 34a_100000762737_100015196519 [0,2,0,0,0,0|2,0,0]=4 34272 B14R1.123 OCCCCCNCc1ncccn1 2230a_100000762737_100000703007 [0,2,0,0,0,0|2,0,0]=4 34273 B14R1.123 OCCCCCNCc1ncccn1 270004a_100000762737_100011532527 [0,2,0,0,0,0|2,0,0]=4 34274 B14R1.123 OCCCCCNCc1ncccn1 34a_100000762737_100000703007 [0,2,0,0,0,0|2,0,0]=4 34275 B14R1.123 OCCCCCOCc1ccccc1 34a_100000210790_100000746330 [0,2,0,0,0,0|0,0,0]=2 34276 B14R1.123 OCCCCCOCc1ccccc1 7a_100000210790_100000746330 [0,2,0,0,0,0|0,0,0]=2 34277 B14R1.123 OCCCCCSCc1ccccc1 62a_100000211182_100000746330 [0,2,0,0,0,0|0,0,0]=2 34278 B14R1.123 OCCCCCSCc1ccccc1 62a_100000746330_100015291786 [0,2,0,0,0,0|0,0,0]=2 34279 B14R1.123 OCCCCCSCc1ccccn1 62a_100000721315_100000746330 [0,2,0,0,0,0|1,0,0]=3 34280 B14R1.123 OCCCCCSCc1ccccn1 62a_100000746330_100000721315 [0,2,0,0,0,0|1,0,0]=3 34281 B14R1.123 OCCCCCSCc1cccnc1 62a_100000741622_100000746330 [0,2,0,0,0,0|1,0,0]=3 34282 B14R1.123 OCCCCCSCc1cccnc1 62a_100000746330_100000741622 [0,2,0,0,0,0|1,0,0]=3 34283 B14R1.123 OCCCCCSCc1cccnn1 62a_100000746330_100016990269 [0,2,0,0,0,0|2,0,0]=4 34284 B14R1.123 OCCCCCSCc1cccnn1 62a_100016990269_100000746330 [0,2,0,0,0,0|2,0,0]=4 34285 B14R1.123 OCCCCCSCc1ccncc1 62a_100000746330_100015193705 [0,2,0,0,0,0|1,0,0]=3 34286 B14R1.123 OCCCCCSCc1ccncc1 62a_100015193705_100000746330 [0,2,0,0,0,0|1,0,0]=3 34287 B14R1.123 OCCCCCSCc1cnccn1 62a_100000746330_100016995436 [0,2,0,0,0,0|2,0,0]=4 34288 B14R1.123 OCCCCCSCc1cnccn1 62a_100016995436_100000746330 [0,2,0,0,0,0|2,0,0]=4 34289 B14R1.123 OCCCCCSCc1cncnc1 62a_100000746330_100015196519 [0,2,0,0,0,0|2,0,0]=4 34290 B14R1.123 OCCCCCSCc1cncnc1 62a_100015196519_100000746330 [0,2,0,0,0,0|2,0,0]=4 34291 B14R1.123 OCCCCCSCc1ncccn1 62a_100000703007_100000746330 [0,2,0,0,0,0|2,0,0]=4 34292 B14R1.123 OCCCCCSCc1ncccn1 62a_100000746330_100000703007 [0,2,0,0,0,0|2,0,0]=4 34293 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000106460_100000210776 [0,2,0,0,0,0|0,0,0]=2 34294 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000750430_100000765856 [0,2,0,0,0,0|0,0,0]=2 34295 B14R1.123 OCCCCNCCc1ccccc1 34a_100000106460_100011216708 [0,2,0,0,0,0|0,0,0]=2 34296 B14R1.123 OCCCCNCCc1ccccc1 34a_100000750430_100000765856 [0,2,0,0,0,0|0,0,0]=2 34297 B14R1.123 OCCCCNCCc1ccccn1 2230a_100000750430_100015183660 [0,2,0,0,0,0|1,0,0]=3 34298 B14R1.123 OCCCCNCCc1cccnc1 2230a_100000736294_100000210776 [0,2,0,0,0,0|1,0,0]=3 34299 B14R1.123 OCCCCNCCc1cccnc1 2230a_100000750430_200011713674 [0,2,0,0,0,0|1,0,0]=3 34300 B14R1.123 OCCCCNCCc1ccncc1 2230a_100000750430_100000723409 [0,2,0,0,0,0|1,0,0]=3 34301 B14R1.123 OCCCCNCSc1ccccc1 2230a_100000750430_100011218342 [0,2,0,0,0,0|0,0,0]=2 34302 B14R1.123 OCCCCOCCc1ccccc1 34a_100000210268_100011216708 [0,2,0,0,0,0|0,0,0]=2 34303 B14R1.123 OCCCCOCCc1ccccc1 7a_100000210268_100000210776 [0,2,0,0,0,0|0,0,0]=2 34304 B14R1.123 OCCCCOCCc1ccccn1 34a_100000210271_100011216708 [0,2,0,0,0,0|1,0,0]=3 34305 B14R1.123 OCCCCOCCc1cccnc1 34a_100011217484_100011216708 [0,2,0,0,0,0|1,0,0]=3 34306 B14R1.123 OCCCCOCCc1ccncc1 34a_100011216225_100011216708 [0,2,0,0,0,0|1,0,0]=3 34307 B14R1.123 OCCCCOCCc1cnccn1 34a_100011349526_100011216708 [0,2,0,0,0,0|2,0,0]=4 34308 B14R1.123 OCCCCOCCc1cncnc1 34a_100011709255_100011216708 [0,2,0,0,0,0|2,0,0]=4 34309 B14R1.123 OCCCCSCCc1ccccc1 62a_100000210776_100011218657 [0,2,0,0,0,0|0,0,0]=2 34310 B14R1.123 OCCCCSCCc1ccccc1 62a_100000765856_100000210776 [0,2,0,0,0,0|0,0,0]=2 34311 B14R1.123 OCCCCSCCc1ccccn1 62a_100000210776_100015183660 [0,2,0,0,0,0|1,0,0]=3 34312 B14R1.123 OCCCCSCCc1ccccn1 62a_100015183660_100000210776 [0,2,0,0,0,0|1,0,0]=3 34313 B14R1.123 OCCCCSCCc1cccnc1 62a_100000210776_200011713674 [0,2,0,0,0,0|1,0,0]=3 34314 B14R1.123 OCCCCSCCc1cccnc1 62a_200011713674_100000210776 [0,2,0,0,0,0|1,0,0]=3 34315 B14R1.123 OCCCCSCCc1ccncc1 62a_100000210776_100000723409 [0,2,0,0,0,0|1,0,0]=3 34316 B14R1.123 OCCCCSCCc1ccncc1 62a_100000723409_100000210776 [0,2,0,0,0,0|1,0,0]=3 34317 B14R1.123 OCCCCSCSc1ccccc1 62a_100000210776_100011218342 [0,2,0,0,0,0|0,0,0]=2 34318 B14R1.123 OCCCCSCSc1ccccc1 62a_100011218342_100000210776 [0,2,0,0,0,0|0,0,0]=2 34319 B14R1.123 OCCCNC/C=C/c1ccccc1 2230a_100020603302_100000230001 [0,2,0,0,0,0|0,0,1]=3 34320 B14R1.123 OCCCNC/C=C/c1ccccc1 34a_100020603302_100000230001 [0,2,0,0,0,0|0,0,1]=3 34321 B14R1.123 OCCCNCC#Cc1ccccc1 34a_100000735379_100000230001 [0,2,0,0,0,0|0,0,1]=3 34322 B14R1.123 OCCCNCC=Cc1ccccc1 270004a_100000182051_100000210105 [0,2,0,0,0,0|0,0,1]=3 34323 B14R1.123 OCCCNCCCc1ccccc1 2230a_100000211184_100000230001 [0,2,0,0,0,0|0,0,0]=2 34324 B14R1.123 OCCCNCCCc1ccccc1 34a_100000211184_100000230001 [0,2,0,0,0,0|0,0,0]=2 34325 B14R1.123 OCCCNCCCc1cccnc1 2230a_100011532358_100000230001 [0,2,0,0,0,0|1,0,0]=3 34326 B14R1.123 OCCCNCCCc1cccnc1 34a_100011532358_100000230001 [0,2,0,0,0,0|1,0,0]=3 34327 B14R1.123 OCCCNCCCc1ccncc1 2230a_100011275580_100000230001 [0,2,0,0,0,0|1,0,0]=3 34328 B14R1.123 OCCCNCCOc1ccccc1 2230a_100000174943_100000230001 [0,2,0,0,0,0|0,0,0]=2 34329 B14R1.123 OCCCNCCOc1ccccc1 270004a_100000182051_100000758736 [0,2,0,0,0,0|0,0,0]=2 34330 B14R1.123 OCCCNCCOc1ccccc1 34a_100000174943_100000230001 [0,2,0,0,0,0|0,0,0]=2 34331 B14R1.123 OCCCNCCOc1ccccn1 2230a_106741647558_100000230001 [0,2,0,0,0,0|1,0,0]=3 34332 B14R1.123 OCCCNCCOc1cccnc1 2230a_100000754688_100000230001 [0,2,0,0,0,0|1,0,0]=3 34333 B14R1.123 OCCCNCCSc1ccccc1 2230a_100000189519_100000230001 [0,2,0,0,0,0|0,0,0]=2 34334 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [0,2,0,0,0,0|0,0,1]=3 34335 B14R1.123 OCCCOC/C=C/c1cccnc1 34a_200102594124_100000230001 [0,2,0,0,0,0|1,0,1]=4 34336 B14R1.123 OCCCOCC#Cc1ccccc1 34a_100011217464_100000230001 [0,2,0,0,0,0|0,0,1]=3 34337 B14R1.123 OCCCOCC#Cc1ccccc1 7a_100011217464_100011215043 [0,2,0,0,0,0|0,0,1]=3 34338 B14R1.123 OCCCOCC#Cc1ccccn1 34a_100011894333_100000230001 [0,2,0,0,0,0|1,0,1]=4 34339 B14R1.123 OCCCOCC#Cc1cccnc1 34a_100011376247_100000230001 [0,2,0,0,0,0|1,0,1]=4 34340 B14R1.123 OCCCOCC#Cc1ccncc1 34a_100011894393_100000230001 [0,2,0,0,0,0|1,0,1]=4 34341 B14R1.123 OCCCOCCCC1=CCC=CC1 34a_100020667889_100000230001 [0,2,0,0,0,0|0,0,2]=4 34342 B14R1.123 OCCCOCCCc1ccccc1 34a_100000210828_100000230001 [0,2,0,0,0,0|0,0,0]=2 34343 B14R1.123 OCCCOCCCc1ccccc1 7a_100000210828_100011215043 [0,2,0,0,0,0|0,0,0]=2 34344 B14R1.123 OCCCOCCCc1ccccn1 34a_100011215068_100000230001 [0,2,0,0,0,0|1,0,0]=3 34345 B14R1.123 OCCCOCCCc1cccnc1 34a_100000211284_100000230001 [0,2,0,0,0,0|1,0,0]=3 34346 B14R1.123 OCCCOCCCc1ccncc1 34a_100000210659_100000230001 [0,2,0,0,0,0|1,0,0]=3 34347 B14R1.123 OCCCOCCNc1ccccc1 34a_100000211345_100000230001 [0,2,0,0,0,0|0,0,0]=2 34348 B14R1.123 OCCCOCCNc1ccncc1 34a_200011243140_100000230001 [0,2,0,0,0,0|1,0,0]=3 34349 B14R1.123 OCCCOCCOc1ccccc1 34a_100000210260_100000230001 [0,2,0,0,0,0|0,0,0]=2 34350 B14R1.123 OCCCOCCOc1ccccc1 7a_100000210260_100011215043 [0,2,0,0,0,0|0,0,0]=2 34351 B14R1.123 OCCCOCCSc1ccccc1 7a_100000230494_100011215043 [0,2,0,0,0,0|0,0,0]=2 34352 B14R1.123 OCCCOCCSc1ccccn1 7a_100000156319_100011215043 [0,2,0,0,0,0|1,0,0]=3 34353 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100011215043_100016265936 [0,2,0,0,0,0|0,0,1]=3 34354 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100016265936_100011215043 [0,2,0,0,0,0|0,0,1]=3 34355 B14R1.123 OCCCSCC#Cc1ccccc1 62a_100011215043_100011352542 [0,2,0,0,0,0|0,0,1]=3 34356 B14R1.123 OCCCSCCCc1ccccc1 62a_100000211621_100011215043 [0,2,0,0,0,0|0,0,0]=2 34357 B14R1.123 OCCCSCCCc1ccccc1 62a_100011215043_100000211621 [0,2,0,0,0,0|0,0,0]=2 34358 B14R1.123 OCCCSCCOc1ccccc1 62a_100000184471_100011215043 [0,2,0,0,0,0|0,0,0]=2 34359 B14R1.123 OCCCSCCOc1ccccc1 62a_100011215043_100000184471 [0,2,0,0,0,0|0,0,0]=2 34360 B14R1.123 OCCCSCCSc1ccccc1 62a_100000246102_100011215043 [0,2,0,0,0,0|0,0,0]=2 34361 B14R1.123 OCCCSCCSc1ccccc1 62a_100011215043_100000246102 [0,2,0,0,0,0|0,0,0]=2 34362 B14R1.123 OCCCSCOCc1ccccc1 62a_100000763385_100011215043 [0,2,0,0,0,0|0,0,0]=2 34363 B14R1.123 OCCCSCOCc1ccccc1 62a_100011215043_100000763385 [0,2,0,0,0,0|0,0,0]=2 34364 B14R1.123 OCCCSCSCc1ccccc1 62a_100011215043_200011217039 [0,2,0,0,0,0|0,0,0]=2 34365 B14R1.123 OCCCSCSCc1ccccc1 62a_200011217039_100011215043 [0,2,0,0,0,0|0,0,0]=2 34366 B14R1.123 OCCNCCCCc1ccccc1 2230a_100015280158_100000211926 [0,2,0,0,0,0|0,0,0]=2 34367 B14R1.123 OCCNCCCCc1ccccc1 2230a_100016997473_100000701786 [0,2,0,0,0,0|0,0,0]=2 34368 B14R1.123 OCCNCCCCc1ccccc1 34a_100015280158_100000211926 [0,2,0,0,0,0|0,0,0]=2 34369 B14R1.123 OCCNCCCCc1ccccc1 34a_100016990907_100000701786 [0,2,0,0,0,0|0,0,0]=2 34370 B14R1.123 OCCNCCCCc1ccncc1 2230a_100016997473_100020630000 [0,2,0,0,0,0|1,0,0]=3 34371 B14R1.123 OCCNCCCOc1ccccc1 2230a_100000216521_100000211926 [0,2,0,0,0,0|0,0,0]=2 34372 B14R1.123 OCCNCCCOc1ccccc1 2230a_100016997473_100000199009 [0,2,0,0,0,0|0,0,0]=2 34373 B14R1.123 OCCNCCCOc1ccccc1 34a_100000216521_100000211926 [0,2,0,0,0,0|0,0,0]=2 34374 B14R1.123 OCCNCCCOc1ccccc1 34a_100016990907_100000199009 [0,2,0,0,0,0|0,0,0]=2 34375 B14R1.123 OCCNCCCSc1ccccc1 2230a_100000184639_100000211926 [0,2,0,0,0,0|0,0,0]=2 34376 B14R1.123 OCCNCCCSc1ccccc1 2230a_100016997473_200011203293 [0,2,0,0,0,0|0,0,0]=2 34377 B14R1.123 OCCNCCCSc1ccccc1 34a_100016990907_200011203293 [0,2,0,0,0,0|0,0,0]=2 34378 B14R1.123 OCCNCCOCc1ccccc1 2230a_100000753106_100000211926 [0,2,0,0,0,0|0,0,0]=2 34379 B14R1.123 OCCNCCOCc1ccccc1 2230a_100016997473_100000234347 [0,2,0,0,0,0|0,0,0]=2 34380 B14R1.123 OCCNCCOCc1ccccc1 34a_100000753106_100000211926 [0,2,0,0,0,0|0,0,0]=2 34381 B14R1.123 OCCNCCOCc1ccccc1 34a_100016990907_100000234347 [0,2,0,0,0,0|0,0,0]=2 34382 B14R1.123 OCCNCCSCc1ccccc1 2230a_100000189534_100000211926 [0,2,0,0,0,0|0,0,0]=2 34383 B14R1.123 OCCNCCSCc1ccccc1 2230a_100016997473_200011297719 [0,2,0,0,0,0|0,0,0]=2 34384 B14R1.123 OCCNCCSCc1ccccc1 34a_100000189534_100000211926 [0,2,0,0,0,0|0,0,0]=2 34385 B14R1.123 OCCNCCSCc1ccccc1 34a_100016990907_200011297719 [0,2,0,0,0,0|0,0,0]=2 34386 B14R1.123 OCCNCCSCc1ccccc1 7a_100000189534_100000211926 [0,2,0,0,0,0|0,0,0]=2 34387 B14R1.123 OCCNCCSSc1ccccn1 2230a_100016995281_100000211926 [0,2,0,0,0,0|2,0,0]=4 34388 B14R1.123 OCCNCCSSc1ccccn1 7a_100016995281_100000211926 [0,2,0,0,0,0|2,0,0]=4 34389 B14R1.123 OCCNN=CCCc1ccccc1 4a_100000210001_100000198083 [0,2,0,0,0,0|0,0,1]=3 34390 B14R1.123 OCCNN=CCOc1ccccc1 4a_100000210001_100000758736 [0,2,0,0,0,0|1,0,1]=4 34391 B14R1.123 OCCOCCC#Cc1ccccc1 34a_100000760064_100000211926 [0,2,0,0,0,0|0,0,1]=3 34392 B14R1.123 OCCOCCC#Cc1ccccc1 7a_100000760064_100000211926 [0,2,0,0,0,0|0,0,1]=3 34393 B14R1.123 OCCOCCC#Cc1ccccn1 34a_200011894334_100000211926 [0,2,0,0,0,0|1,0,1]=4 34394 B14R1.123 OCCOCCC#Cc1cccnc1 34a_200011376248_100000211926 [0,2,0,0,0,0|1,0,1]=4 34395 B14R1.123 OCCOCCC#Cc1ccncc1 34a_100011894394_100000211926 [0,2,0,0,0,0|1,0,1]=4 34396 B14R1.123 OCCOCCCCc1ccccc1 34a_100000703073_100000211926 [0,2,0,0,0,0|0,0,0]=2 34397 B14R1.123 OCCOCCCCc1ccccc1 7a_100000703073_100000211926 [0,2,0,0,0,0|0,0,0]=2 34398 B14R1.123 OCCOCCCCc1ccccn1 34a_100012186994_100000211926 [0,2,0,0,0,0|1,0,0]=3 34399 B14R1.123 OCCOCCCCc1cccnc1 34a_100012039607_100000211926 [0,2,0,0,0,0|1,0,0]=3 34400 B14R1.123 OCCOCCCCc1cccnc1 7a_100012039607_100000211926 [0,2,0,0,0,0|1,0,0]=3 34401 B14R1.123 OCCOCCCCc1ccncc1 34a_100011787716_100000211926 [0,2,0,0,0,0|1,0,0]=3 34402 B14R1.123 OCCOCCCNc1ccccc1 34a_100000212590_100000211926 [0,2,0,0,0,0|0,0,0]=2 34403 B14R1.123 OCCOCCCOc1ccccc1 34a_100011215863_100000211926 [0,2,0,0,0,0|0,0,0]=2 34404 B14R1.123 OCCOCCCOc1ccccc1 7a_100011215863_100000211926 [0,2,0,0,0,0|0,0,0]=2 34405 B14R1.123 OCCOCCNCc1ccccc1 207a_100000211614_100015611070 [0,2,0,0,0,0|0,0,0]=2 34406 B14R1.123 OCCOCCNCc1ccccc1 2230a_100000211614_100015291786 [0,2,0,0,0,0|0,0,0]=2 34407 B14R1.123 OCCOCCNCc1ccccc1 2230a_100015324214_100011215305 [0,2,0,0,0,0|0,0,0]=2 34408 B14R1.123 OCCOCCNCc1ccccc1 270004a_100000211614_100015611070 [0,2,0,0,0,0|0,0,0]=2 34409 B14R1.123 OCCOCCNCc1ccccc1 34a_100000180844_100000211926 [0,2,0,0,0,0|0,0,0]=2 34410 B14R1.123 OCCOCCNCc1ccccc1 34a_100000211614_100015291786 [0,2,0,0,0,0|0,0,0]=2 34411 B14R1.123 OCCOCCNCc1ccccc1 34a_100015324214_100000692535 [0,2,0,0,0,0|0,0,0]=2 34412 B14R1.123 OCCOCCNCc1ccccn1 207a_100000211614_100000209966 [0,2,0,0,0,0|1,0,0]=3 34413 B14R1.123 OCCOCCNCc1ccccn1 2230a_100000211614_100000721315 [0,2,0,0,0,0|1,0,0]=3 34414 B14R1.123 OCCOCCNCc1ccccn1 270004a_100000211614_100000209966 [0,2,0,0,0,0|1,0,0]=3 34415 B14R1.123 OCCOCCNCc1ccccn1 34a_100000211614_100000721315 [0,2,0,0,0,0|1,0,0]=3 34416 B14R1.123 OCCOCCNCc1cccnc1 207a_100000211614_100000209961 [0,2,0,0,0,0|1,0,0]=3 34417 B14R1.123 OCCOCCNCc1cccnc1 2230a_100000211614_100000741622 [0,2,0,0,0,0|1,0,0]=3 34418 B14R1.123 OCCOCCNCc1cccnc1 270004a_100000211614_100000209961 [0,2,0,0,0,0|1,0,0]=3 34419 B14R1.123 OCCOCCNCc1cccnc1 34a_100000211614_100000733263 [0,2,0,0,0,0|1,0,0]=3 34420 B14R1.123 OCCOCCNCc1cccnn1 2230a_100000211614_100016990269 [0,2,0,0,0,0|2,0,0]=4 34421 B14R1.123 OCCOCCNCc1cccnn1 2230a_100159270163_100011215305 [0,2,0,0,0,0|2,0,0]=4 34422 B14R1.123 OCCOCCNCc1cccnn1 34a_100000211614_100016990269 [0,2,0,0,0,0|2,0,0]=4 34423 B14R1.123 OCCOCCNCc1ccncc1 207a_100000211614_100000186114 [0,2,0,0,0,0|1,0,0]=3 34424 B14R1.123 OCCOCCNCc1ccncc1 2230a_100000211614_100015193705 [0,2,0,0,0,0|1,0,0]=3 34425 B14R1.123 OCCOCCNCc1ccnnc1 270004a_100000211614_100011934578 [0,2,0,0,0,0|2,0,0]=4 34426 B14R1.123 OCCOCCNCc1cnccn1 2230a_100000211614_100016995436 [0,2,0,0,0,0|2,0,0]=4 34427 B14R1.123 OCCOCCNCc1cnccn1 270004a_100000211614_100000749867 [0,2,0,0,0,0|2,0,0]=4 34428 B14R1.123 OCCOCCNCc1cnccn1 34a_100000211614_100016995436 [0,2,0,0,0,0|2,0,0]=4 34429 B14R1.123 OCCOCCNCc1cncnc1 2230a_100000211614_100015196519 [0,2,0,0,0,0|2,0,0]=4 34430 B14R1.123 OCCOCCNCc1cncnc1 2230a_100011243677_100011215305 [0,2,0,0,0,0|2,0,0]=4 34431 B14R1.123 OCCOCCNCc1cncnc1 270004a_100000211614_100000749868 [0,2,0,0,0,0|2,0,0]=4 34432 B14R1.123 OCCOCCNCc1cncnc1 34a_100000211614_100015196519 [0,2,0,0,0,0|2,0,0]=4 34433 B14R1.123 OCCOCCNCc1ncccn1 2230a_100000211614_100000703007 [0,2,0,0,0,0|2,0,0]=4 34434 B14R1.123 OCCOCCNCc1ncccn1 270004a_100000211614_100011532527 [0,2,0,0,0,0|2,0,0]=4 34435 B14R1.123 OCCOCCNCc1ncccn1 34a_100000211614_100000703007 [0,2,0,0,0,0|2,0,0]=4 34436 B14R1.123 OCCOCCOCc1ccccc1 34a_100000210790_100000692535 [0,2,0,0,0,0|0,0,0]=2 34437 B14R1.123 OCCOCCOCc1ccccc1 34a_100000759325_100000211926 [0,2,0,0,0,0|0,0,0]=2 34438 B14R1.123 OCCOCCOCc1ccccc1 7a_100000210790_100011215305 [0,2,0,0,0,0|0,0,0]=2 34439 B14R1.123 OCCOCCOCc1ccccc1 7a_100000759325_100000211926 [0,2,0,0,0,0|0,0,0]=2 34440 B14R1.123 OCCOCCSCc1ccccc1 34a_100011205989_100000211926 [0,2,0,0,0,0|0,0,0]=2 34441 B14R1.123 OCCOCCSCc1ccccc1 62a_100000211182_100011215305 [0,2,0,0,0,0|0,0,0]=2 34442 B14R1.123 OCCOCCSCc1ccccc1 62a_100011215305_100015291786 [0,2,0,0,0,0|0,0,0]=2 34443 B14R1.123 OCCOCCSCc1ccccc1 7a_100011205989_100000211926 [0,2,0,0,0,0|0,0,0]=2 34444 B14R1.123 OCCOCCSCc1ccccn1 62a_100000721315_100011215305 [0,2,0,0,0,0|1,0,0]=3 34445 B14R1.123 OCCOCCSCc1ccccn1 62a_100011215305_100000721315 [0,2,0,0,0,0|1,0,0]=3 34446 B14R1.123 OCCOCCSCc1cccnc1 62a_100000741622_100011215305 [0,2,0,0,0,0|1,0,0]=3 34447 B14R1.123 OCCOCCSCc1cccnc1 62a_100011215305_100000741622 [0,2,0,0,0,0|1,0,0]=3 34448 B14R1.123 OCCOCCSCc1cccnn1 62a_100011215305_100016990269 [0,2,0,0,0,0|2,0,0]=4 34449 B14R1.123 OCCOCCSCc1cccnn1 62a_100016990269_100011215305 [0,2,0,0,0,0|2,0,0]=4 34450 B14R1.123 OCCOCCSCc1ccncc1 62a_100011215305_100015193705 [0,2,0,0,0,0|1,0,0]=3 34451 B14R1.123 OCCOCCSCc1ccncc1 62a_100015193705_100011215305 [0,2,0,0,0,0|1,0,0]=3 34452 B14R1.123 OCCOCCSCc1cnccn1 62a_100011215305_100016995436 [0,2,0,0,0,0|2,0,0]=4 34453 B14R1.123 OCCOCCSCc1cnccn1 62a_100016995436_100011215305 [0,2,0,0,0,0|2,0,0]=4 34454 B14R1.123 OCCOCCSCc1cncnc1 62a_100011215305_100015196519 [0,2,0,0,0,0|2,0,0]=4 34455 B14R1.123 OCCOCCSCc1cncnc1 62a_100015196519_100011215305 [0,2,0,0,0,0|2,0,0]=4 34456 B14R1.123 OCCOCCSCc1ncccn1 62a_100000703007_100011215305 [0,2,0,0,0,0|2,0,0]=4 34457 B14R1.123 OCCOCCSCc1ncccn1 62a_100011215305_100000703007 [0,2,0,0,0,0|2,0,0]=4 34458 B14R1.123 OCCOCCSSc1ccccn1 7a_100009993218_100000211926 [0,2,0,0,0,0|2,0,0]=4 34459 B14R1.123 OCCSCCCCc1ccccc1 62a_100000211926_100000701786 [0,2,0,0,0,0|0,0,0]=2 34460 B14R1.123 OCCSCCCCc1ccccc1 62a_100000701786_100000211926 [0,2,0,0,0,0|0,0,0]=2 34461 B14R1.123 OCCSCCCCc1ccncc1 62a_100000211926_100020630000 [0,2,0,0,0,0|1,0,0]=3 34462 B14R1.123 OCCSCCCCc1ccncc1 62a_100020630000_100000211926 [0,2,0,0,0,0|1,0,0]=3 34463 B14R1.123 OCCSCCCOc1ccccc1 62a_100000199009_100000211926 [0,2,0,0,0,0|0,0,0]=2 34464 B14R1.123 OCCSCCCOc1ccccc1 62a_100000211926_100000199009 [0,2,0,0,0,0|0,0,0]=2 34465 B14R1.123 OCCSCCCSc1ccccc1 62a_100000211926_200011203293 [0,2,0,0,0,0|0,0,0]=2 34466 B14R1.123 OCCSCCCSc1ccccc1 62a_200011203293_100000211926 [0,2,0,0,0,0|0,0,0]=2 34467 B14R1.123 OCCSCCNCc1ccccc1 207a_100011219999_100015611070 [0,2,0,0,0,0|0,0,0]=2 34468 B14R1.123 OCCSCCNCc1ccccc1 2230a_100011219999_100015291786 [0,2,0,0,0,0|0,0,0]=2 34469 B14R1.123 OCCSCCNCc1ccccc1 270004a_100011219999_100015611070 [0,2,0,0,0,0|0,0,0]=2 34470 B14R1.123 OCCSCCNCc1ccccn1 207a_100011219999_100000209966 [0,2,0,0,0,0|1,0,0]=3 34471 B14R1.123 OCCSCCNCc1ccccn1 2230a_100011219999_100000721315 [0,2,0,0,0,0|1,0,0]=3 34472 B14R1.123 OCCSCCNCc1ccccn1 270004a_100011219999_100000209966 [0,2,0,0,0,0|1,0,0]=3 34473 B14R1.123 OCCSCCNCc1cccnc1 207a_100011219999_100000209961 [0,2,0,0,0,0|1,0,0]=3 34474 B14R1.123 OCCSCCNCc1cccnc1 2230a_100011219999_100000741622 [0,2,0,0,0,0|1,0,0]=3 34475 B14R1.123 OCCSCCNCc1cccnc1 270004a_100011219999_100000209961 [0,2,0,0,0,0|1,0,0]=3 34476 B14R1.123 OCCSCCNCc1cccnn1 2230a_100011219999_100016990269 [0,2,0,0,0,0|2,0,0]=4 34477 B14R1.123 OCCSCCNCc1ccncc1 207a_100011219999_100000186114 [0,2,0,0,0,0|1,0,0]=3 34478 B14R1.123 OCCSCCNCc1ccncc1 2230a_100011219999_100015193705 [0,2,0,0,0,0|1,0,0]=3 34479 B14R1.123 OCCSCCNCc1ccnnc1 270004a_100011219999_100011934578 [0,2,0,0,0,0|2,0,0]=4 34480 B14R1.123 OCCSCCNCc1cnccn1 2230a_100011219999_100016995436 [0,2,0,0,0,0|2,0,0]=4 34481 B14R1.123 OCCSCCNCc1cnccn1 270004a_100011219999_100000749867 [0,2,0,0,0,0|2,0,0]=4 34482 B14R1.123 OCCSCCNCc1cncnc1 2230a_100011219999_100015196519 [0,2,0,0,0,0|2,0,0]=4 34483 B14R1.123 OCCSCCNCc1cncnc1 270004a_100011219999_100000749868 [0,2,0,0,0,0|2,0,0]=4 34484 B14R1.123 OCCSCCNCc1ncccn1 2230a_100011219999_100000703007 [0,2,0,0,0,0|2,0,0]=4 34485 B14R1.123 OCCSCCNCc1ncccn1 270004a_100011219999_100011532527 [0,2,0,0,0,0|2,0,0]=4 34486 B14R1.123 OCCSCCOCc1ccccc1 62a_100000211926_100000234347 [0,2,0,0,0,0|0,0,0]=2 34487 B14R1.123 OCCSCCOCc1ccccc1 62a_100000234347_100000211926 [0,2,0,0,0,0|0,0,0]=2 34488 B14R1.123 OCCSCCSCc1ccccc1 62a_100000211926_200011297719 [0,2,0,0,0,0|0,0,0]=2 34489 B14R1.123 OCCSCCSCc1ccccc1 62a_200011297719_100000211926 [0,2,0,0,0,0|0,0,0]=2 34490 B14R1.123 [13CH3]NCCCCOCc1ccccc1 2230a_100000748060_200025704644 [0,2,0,0,0,0|1,0,0]=3 34491 B14R1.123 [13CH3]NCCCCOCc1ccccc1 34a_100000748060_200025704644 [0,2,0,0,0,0|1,0,0]=3 34492 B14R1.123 [13CH3]OCCCCCCc1ccccc1 34a_100011215581_200025704644 [0,2,0,0,0,0|0,0,0]=2 34493 B14R1.123 [13CH3]OCCCCCCc1ccccc1 7a_100011215581_200025704644 [0,2,0,0,0,0|0,0,0]=2 34494 B14R1.123 [13CH3]OCCCCNCc1ccccc1 34a_100000186360_200025704644 [0,2,0,0,0,0|0,0,0]=2 34495 B14R1.123 [13CH3]OCCCCOCc1ccccc1 34a_100011215074_200025704644 [0,2,0,0,0,0|0,0,0]=2 34496 B14R1.123 [13CH3]OCCCCOCc1ccccc1 7a_100011215074_200025704644 [0,2,0,0,0,0|0,0,0]=2 34497 B14R1.123 [13CH3]OCCNC/C=C/c1ccccc1 34a_100020603566_200025704644 [0,2,0,0,0,0|0,0,2]=4 34498 B14R1.123 [13CH3]OCCOCCOc1ccccc1 34a_100000756377_200025704644 [0,2,0,0,0,0|1,0,0]=3 34499 B14R1.123 [13CH3]OCCOCCOc1ccccc1 7a_100000756377_200025704644 [0,2,0,0,0,0|1,0,0]=3 34500 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_100011218729_200025704644 [0,2,0,0,0,0|0,1,0]=3 34501 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_200025704644_100011218729 [0,2,0,0,0,0|0,1,0]=3 34502 B14R1.123 [13CH3]SCCCCCOc1ccccc1 62a_200011777167_200025704644 [0,2,0,0,0,0|0,1,0]=3 34503 B14R1.123 [13CH3]SCCCCCOc1ccccc1 62a_200025704644_200011777167 [0,2,0,0,0,0|0,1,0]=3 34504 B14R1.123 [13CH3]SCCCCOCc1ccccc1 62a_100011219843_200025704644 [0,2,0,0,0,0|0,1,0]=3 34505 B14R1.123 [13CH3]SCCCCOCc1ccccc1 62a_200025704644_100011219843 [0,2,0,0,0,0|0,1,0]=3 34506 B14R1.123 [N-]=[N+]=NCCCNCc1ccccc1 2230a_100000744732_100015291786 [0,2,0,0,0,0|2,0,0]=4 34507 B14R1.123 [N-]=[N+]=NCCCNCc1ccccc1 270004a_100000744732_100015611070 [0,2,0,0,0,0|2,0,0]=4 34508 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000185753_100000753159 [0,2,0,0,0,0|1,0,1]=4 34509 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000692101_100000765856 [0,2,0,0,0,0|1,0,1]=4 34510 B14R1.156 C#CCCN(C)CCc1ccccc1 2230a_100000207497_100000688953 [0,2,0,0,0,0|1,0,1]=4 34511 B14R1.156 C#CCCN(C)CCc1ccccc1 269982a_100000207497_100000730999 [0,2,0,0,0,0|1,0,1]=4 34512 B14R1.156 C#CCNC(C)CCc1ccccc1 2230a_100000210798_100000038162 [0,2,0,0,0,0|1,0,1]=4 34513 B14R1.156 C#CCNC(C)CCc1ccccc1 34a_100000210798_100000184674 [0,2,0,0,0,0|1,0,1]=4 34514 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000184674 [0,2,0,0,0,0|1,0,1]=4 34515 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000038162 [0,2,0,0,0,0|1,0,1]=4 34516 B14R1.156 C=CCCC(=O)CCc1ccccc1 1458a_100000185753_100000754431 [0,2,0,0,0,0|1,0,1]=4 34517 B14R1.156 C=CCCC(=O)CCc1ccccc1 1458a_100000749702_100000765856 [0,2,0,0,0,0|1,0,1]=4 34518 B14R1.156 C=CCCC(C)NCc1ccccc1 270004a_100015324214_100000762624 [0,2,0,0,0,0|1,0,1]=4 34519 B14R1.156 C=CCCC(C)OCc1ccccc1 34a_100000765329_100015291786 [0,2,0,0,0,0|1,0,1]=4 34520 B14R1.156 C=CCCC(C)OCc1ccccc1 7a_100000765329_100000211182 [0,2,0,0,0,0|1,0,1]=4 34521 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100000207497_100000754431 [0,2,0,0,0,0|1,0,1]=4 34522 B14R1.156 C=CCCN(C)CCc1ccccc1 2230a_100020639649_100000765856 [0,2,0,0,0,0|1,0,1]=4 34523 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100000207497_100000754431 [0,2,0,0,0,0|1,0,1]=4 34524 B14R1.156 C=CCCN(C)CCc1ccccc1 269982a_100020639649_100000765856 [0,2,0,0,0,0|1,0,1]=4 34525 B14R1.156 C=CCNC(C)CCc1ccccc1 2230a_100000210798_100000210623 [0,2,0,0,0,0|1,0,1]=4 34526 B14R1.156 C=CCNC(C)CCc1ccccc1 270004a_100020586998_100000210092 [0,2,0,0,0,0|1,0,1]=4 34527 B14R1.156 C=CCNC(C)CCc1ccccc1 34a_100000210798_100015514636 [0,2,0,0,0,0|1,0,1]=4 34528 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100015514636 [0,2,0,0,0,0|1,0,1]=4 34529 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100015514636 [0,2,0,0,0,0|1,0,1]=4 34530 B14R1.156 CC(=NNc1ccccc1)CCCO 4a_100015195140_100000759063 [0,2,0,0,0,0|1,0,1]=4 34531 B14R1.156 CC(C#Cc1ccccc1)OCCO 34a_200000065209_100000211926 [0,2,0,0,0,0|0,0,2]=4 34532 B14R1.156 CC(C#Cc1ccccc1)OCCO 7a_200000065209_100000211926 [0,2,0,0,0,0|0,0,2]=4 34533 B14R1.156 CC(CCCCl)OCc1ccccc1 34a_200000718107_100015291786 [0,2,0,0,0,0|1,0,0]=3 34534 B14R1.156 CC(CCCCl)OCc1ccccc1 7a_200000718107_100000211182 [0,2,0,0,0,0|1,0,0]=3 34535 B14R1.156 CC(CCCCl)OCc1ccccn1 34a_200000718107_100000721315 [0,2,0,0,0,0|2,0,0]=4 34536 B14R1.156 CC(CCCCl)OCc1ccccn1 7a_200000718107_100000721315 [0,2,0,0,0,0|2,0,0]=4 34537 B14R1.156 CC(CCCCl)OCc1cccnc1 34a_200000718107_100000733263 [0,2,0,0,0,0|2,0,0]=4 34538 B14R1.156 CC(CCCCl)OCc1cccnc1 7a_200000718107_100000741622 [0,2,0,0,0,0|2,0,0]=4 34539 B14R1.156 CC(CCCCl)OCc1ccncc1 7a_200000718107_100015193705 [0,2,0,0,0,0|2,0,0]=4 34540 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [0,2,0,0,0,0|1,0,1]=4 34541 B14R1.156 CC(CCc1ccccc1)NCC=O 2230a_100000210798_200015260668 [0,2,0,0,0,0|0,0,2]=4 34542 B14R1.156 CC(CCc1ccccc1)NCC=O 34a_100000210798_200009817547 [0,2,0,0,0,0|0,0,2]=4 34543 B14R1.156 CC(CCc1ccccc1)NCCF 2230a_100000210798_100011217306 [0,2,0,0,0,0|1,0,0]=3 34544 B14R1.156 CC(CCc1ccccc1)NCCF 34a_100000210798_100011217306 [0,2,0,0,0,0|1,0,0]=3 34545 B14R1.156 CC(CCc1ccccc1)NCCO 2230a_100000210798_100000211926 [0,2,0,0,0,0|0,0,0]=2 34546 B14R1.156 CC(CCc1ccccc1)NCCO 270004a_100000210304_100000210092 [0,2,0,0,0,0|0,0,0]=2 34547 B14R1.156 CC(CCc1ccccc1)NCCO 34a_100000210798_100000211926 [0,2,0,0,0,0|0,0,0]=2 34548 B14R1.156 CC(COc1ccccc1)NCCF 2230a_100000746794_100011217306 [0,2,0,0,0,0|2,0,0]=4 34549 B14R1.156 CC(COc1ccccc1)NCCF 34a_100000746794_100011217306 [0,2,0,0,0,0|2,0,0]=4 34550 B14R1.156 CC(COc1ccccc1)NCCO 2230a_100000746794_100000211926 [0,2,0,0,0,0|1,0,0]=3 34551 B14R1.156 CC(COc1ccccc1)NCCO 270004a_100000210304_100000150576 [0,2,0,0,0,0|1,0,0]=3 34552 B14R1.156 CC(COc1ccccc1)NCCO 34a_100000746794_100000211926 [0,2,0,0,0,0|1,0,0]=3 34553 B14R1.156 CC(COc1ccccc1)OCCF 34a_100000210911_100011217306 [0,2,0,0,0,0|2,0,0]=4 34554 B14R1.156 CC(COc1ccccc1)OCCF 7a_100000210911_100011217306 [0,2,0,0,0,0|2,0,0]=4 34555 B14R1.156 CC(COc1ccccc1)OCCO 34a_100000210911_100000211926 [0,2,0,0,0,0|1,0,0]=3 34556 B14R1.156 CC(COc1ccccc1)OCCO 7a_100000210911_100000211926 [0,2,0,0,0,0|1,0,0]=3 34557 B14R1.156 CC(CSc1ccccc1)NCCO 270004a_100000210304_100000150717 [0,2,0,0,0,0|1,0,0]=3 34558 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,2,0,0,0,0|1,0,0]=3 34559 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,2,0,0,0,0|1,0,0]=3 34560 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100000210183_100015183660 [0,2,0,0,0,0|2,0,0]=4 34561 B14R1.156 CCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210211 [0,2,0,0,0,0|2,0,0]=4 34562 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210211 [0,2,0,0,0,0|2,0,0]=4 34563 B14R1.156 CCCCC(=O)CCc1cccnc1 1458a_100000210183_200011713674 [0,2,0,0,0,0|2,0,0]=4 34564 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100000210183_100000723409 [0,2,0,0,0,0|2,0,0]=4 34565 B14R1.156 CCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210211 [0,2,0,0,0,0|2,0,0]=4 34566 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [0,2,0,0,0,0|1,0,1]=4 34567 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [0,2,0,0,0,0|1,0,1]=4 34568 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [0,2,0,0,0,0|1,0,1]=4 34569 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [0,2,0,0,0,0|1,0,1]=4 34570 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [0,2,0,0,0,0|1,0,1]=4 34571 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [0,2,0,0,0,0|1,0,1]=4 34572 B14R1.156 CCCCC(C)NCc1ccccc1 207a_100000126638_100015611070 [0,2,0,0,0,0|1,0,0]=3 34573 B14R1.156 CCCCC(C)NCc1ccccc1 2230a_100000126638_100015291786 [0,2,0,0,0,0|1,0,0]=3 34574 B14R1.156 CCCCC(C)NCc1ccccc1 2230a_100015324214_200011215066 [0,2,0,0,0,0|1,0,0]=3 34575 B14R1.156 CCCCC(C)NCc1ccccc1 270004a_100000126638_100015611070 [0,2,0,0,0,0|1,0,0]=3 34576 B14R1.156 CCCCC(C)NCc1ccccc1 270004a_100015324214_100000210087 [0,2,0,0,0,0|1,0,0]=3 34577 B14R1.156 CCCCC(C)NCc1ccccc1 34a_100015324214_200011215066 [0,2,0,0,0,0|1,0,0]=3 34578 B14R1.156 CCCCC(C)NCc1ccccn1 207a_100000126638_100000209966 [0,2,0,0,0,0|2,0,0]=4 34579 B14R1.156 CCCCC(C)NCc1ccccn1 2230a_100000126638_100000721315 [0,2,0,0,0,0|2,0,0]=4 34580 B14R1.156 CCCCC(C)NCc1ccccn1 270004a_100000126638_100000209966 [0,2,0,0,0,0|2,0,0]=4 34581 B14R1.156 CCCCC(C)NCc1ccccn1 270004a_100000210449_100000210087 [0,2,0,0,0,0|2,0,0]=4 34582 B14R1.156 CCCCC(C)NCc1cccnc1 207a_100000126638_100000209961 [0,2,0,0,0,0|2,0,0]=4 34583 B14R1.156 CCCCC(C)NCc1cccnc1 2230a_100000126638_100000741622 [0,2,0,0,0,0|2,0,0]=4 34584 B14R1.156 CCCCC(C)NCc1cccnc1 270004a_100000126638_100000209961 [0,2,0,0,0,0|2,0,0]=4 34585 B14R1.156 CCCCC(C)NCc1cccnc1 270004a_100000210453_100000210087 [0,2,0,0,0,0|2,0,0]=4 34586 B14R1.156 CCCCC(C)NCc1ccncc1 207a_100000126638_100000186114 [0,2,0,0,0,0|2,0,0]=4 34587 B14R1.156 CCCCC(C)NCc1ccncc1 2230a_100000126638_100015193705 [0,2,0,0,0,0|2,0,0]=4 34588 B14R1.156 CCCCC(C)OCc1ccccc1 34a_100000210790_200011215066 [0,2,0,0,0,0|1,0,0]=3 34589 B14R1.156 CCCCC(C)OCc1ccccc1 34a_100000687866_100015291786 [0,2,0,0,0,0|1,0,0]=3 34590 B14R1.156 CCCCC(C)OCc1ccccc1 7a_100000210790_200011215066 [0,2,0,0,0,0|1,0,0]=3 34591 B14R1.156 CCCCC(C)OCc1ccccc1 7a_100000687866_100000211182 [0,2,0,0,0,0|1,0,0]=3 34592 B14R1.156 CCCCC(C)OCc1ccccn1 34a_100000687866_100000721315 [0,2,0,0,0,0|2,0,0]=4 34593 B14R1.156 CCCCC(C)OCc1ccccn1 7a_100000687866_100000721315 [0,2,0,0,0,0|2,0,0]=4 34594 B14R1.156 CCCCC(C)OCc1cccnc1 34a_100000687866_100000733263 [0,2,0,0,0,0|2,0,0]=4 34595 B14R1.156 CCCCC(C)OCc1cccnc1 7a_100000687866_100000741622 [0,2,0,0,0,0|2,0,0]=4 34596 B14R1.156 CCCCC(C)OCc1ccncc1 7a_100000687866_100015193705 [0,2,0,0,0,0|2,0,0]=4 34597 B14R1.156 CCCCC(C)SCc1ccccc1 62a_100000211182_200011215066 [0,2,0,0,0,0|1,0,0]=3 34598 B14R1.156 CCCCC(C)SCc1ccccc1 62a_200011215066_100015291786 [0,2,0,0,0,0|1,0,0]=3 34599 B14R1.156 CCCCC(C)SCc1ccccn1 62a_100000721315_200011215066 [0,2,0,0,0,0|2,0,0]=4 34600 B14R1.156 CCCCC(C)SCc1ccccn1 62a_200011215066_100000721315 [0,2,0,0,0,0|2,0,0]=4 34601 B14R1.156 CCCCC(C)SCc1cccnc1 62a_100000741622_200011215066 [0,2,0,0,0,0|2,0,0]=4 34602 B14R1.156 CCCCC(C)SCc1cccnc1 62a_200011215066_100000741622 [0,2,0,0,0,0|2,0,0]=4 34603 B14R1.156 CCCCC(C)SCc1ccncc1 62a_100015193705_200011215066 [0,2,0,0,0,0|2,0,0]=4 34604 B14R1.156 CCCCC(C)SCc1ccncc1 62a_200011215066_100015193705 [0,2,0,0,0,0|2,0,0]=4 34605 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207497_100000210211 [0,2,0,0,0,0|1,0,0]=3 34606 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207549_100000765856 [0,2,0,0,0,0|1,0,0]=3 34607 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207497_100000210211 [0,2,0,0,0,0|1,0,0]=3 34608 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207549_100000765856 [0,2,0,0,0,0|1,0,0]=3 34609 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000207549_100015183660 [0,2,0,0,0,0|2,0,0]=4 34610 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000737206_100000210211 [0,2,0,0,0,0|2,0,0]=4 34611 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000207549_100015183660 [0,2,0,0,0,0|2,0,0]=4 34612 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000737206_100000210211 [0,2,0,0,0,0|2,0,0]=4 34613 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000207549_200011713674 [0,2,0,0,0,0|2,0,0]=4 34614 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000763209_100000210211 [0,2,0,0,0,0|2,0,0]=4 34615 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000207549_200011713674 [0,2,0,0,0,0|2,0,0]=4 34616 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000763209_100000210211 [0,2,0,0,0,0|2,0,0]=4 34617 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000207549_100000723409 [0,2,0,0,0,0|2,0,0]=4 34618 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000742850_100000210211 [0,2,0,0,0,0|2,0,0]=4 34619 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000207549_100000723409 [0,2,0,0,0,0|2,0,0]=4 34620 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000742850_100000210211 [0,2,0,0,0,0|2,0,0]=4 34621 B14R1.156 CCCCN(C)CSc1ccccc1 2230a_100000207549_100011218342 [0,2,0,0,0,0|2,0,0]=4 34622 B14R1.156 CCCCN(C)CSc1ccccc1 269982a_100000207549_100011218342 [0,2,0,0,0,0|2,0,0]=4 34623 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [0,2,0,0,0,0|1,0,1]=4 34624 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [0,2,0,0,0,0|1,0,1]=4 34625 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [0,2,0,0,0,0|1,0,1]=4 34626 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [0,2,0,0,0,0|1,0,1]=4 34627 B14R1.156 CCCNC(C)CCc1ccccc1 2230a_100000210798_100000210303 [0,2,0,0,0,0|1,0,0]=3 34628 B14R1.156 CCCNC(C)CCc1ccccc1 270004a_100020643023_100000210092 [0,2,0,0,0,0|1,0,0]=3 34629 B14R1.156 CCCNC(C)CCc1ccccc1 34a_100000210798_100000210303 [0,2,0,0,0,0|1,0,0]=3 34630 B14R1.156 CCCNC(C)COc1ccccc1 2230a_100000746794_100000210303 [0,2,0,0,0,0|2,0,0]=4 34631 B14R1.156 CCCNC(C)COc1ccccc1 270004a_100020643023_100000150576 [0,2,0,0,0,0|2,0,0]=4 34632 B14R1.156 CCCNC(C)COc1ccccc1 34a_100000746794_100000210303 [0,2,0,0,0,0|2,0,0]=4 34633 B14R1.156 CCCNC(C)CSc1ccccc1 270004a_100020643023_100000150717 [0,2,0,0,0,0|2,0,0]=4 34634 B14R1.156 CCCOC(C)COc1ccccc1 34a_100000210911_100000210303 [0,2,0,0,0,0|2,0,0]=4 34635 B14R1.156 CCCOC(C)COc1ccccc1 7a_100000210911_100000210303 [0,2,0,0,0,0|2,0,0]=4 34636 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210303 [0,2,0,0,0,0|1,0,0]=3 34637 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210303 [0,2,0,0,0,0|1,0,0]=3 34638 B14R1.156 CCNCC(=O)CCc1ccccc1 2230a_100015525214_100012361361 [0,2,0,0,0,0|1,0,1]=4 34639 B14R1.156 CCNCC(O)COc1ccccc1 2230a_100000738913_100000210202 [0,2,0,0,0,0|2,0,0]=4 34640 B14R1.156 CCNCC(O)COc1ccccc1 34a_100000738913_100000210202 [0,2,0,0,0,0|2,0,0]=4 34641 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [0,2,0,0,0,0|1,0,1]=4 34642 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [0,2,0,0,0,0|1,0,1]=4 34643 B14R1.156 CCOCC(C)OCc1ccccc1 34a_100000718985_100015291786 [0,2,0,0,0,0|2,0,0]=4 34644 B14R1.156 CCOCC(C)OCc1ccccc1 7a_100000718985_100000211182 [0,2,0,0,0,0|2,0,0]=4 34645 B14R1.156 CCOCN(C)CCc1ccccc1 269982a_100000207497_100000739092 [0,2,0,0,0,0|2,0,0]=4 34646 B14R1.156 CCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000210202 [0,2,0,0,0,0|2,0,0]=4 34647 B14R1.156 CCSCC(=O)CCc1ccccc1 1458a_100000230394_100000765856 [0,2,0,0,0,0|1,0,1]=4 34648 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100000210202_100012361361 [0,2,0,0,0,0|1,0,1]=4 34649 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210202 [0,2,0,0,0,0|1,0,1]=4 34650 B14R1.156 CCSCC(C)NCc1ccccc1 270004a_100015324214_200011216171 [0,2,0,0,0,0|2,0,0]=4 34651 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000184479_100000765856 [0,2,0,0,0,0|1,0,1]=4 34652 B14R1.156 CN(CCC#N)CCc1ccccc1 2230a_100000207497_100011215226 [0,2,0,0,0,0|1,0,1]=4 34653 B14R1.156 CN(CCC#N)CCc1ccccc1 269982a_100000207497_100011215226 [0,2,0,0,0,0|1,0,1]=4 34654 B14R1.156 CN(CCCF)CCc1ccccc1 2230a_100000207497_100011934791 [0,2,0,0,0,0|1,0,0]=3 34655 B14R1.156 CN(CCCF)CCc1ccccc1 269982a_100000207497_100011934791 [0,2,0,0,0,0|1,0,0]=3 34656 B14R1.156 CN(CCCF)CCc1ccccn1 2230a_100000737206_100011934791 [0,2,0,0,0,0|2,0,0]=4 34657 B14R1.156 CN(CCCF)CCc1ccccn1 269982a_100000737206_100011934791 [0,2,0,0,0,0|2,0,0]=4 34658 B14R1.156 CN(CCCF)CCc1cccnc1 2230a_100000763209_100011934791 [0,2,0,0,0,0|2,0,0]=4 34659 B14R1.156 CN(CCCF)CCc1cccnc1 269982a_100000763209_100011934791 [0,2,0,0,0,0|2,0,0]=4 34660 B14R1.156 CN(CCCF)CCc1ccncc1 2230a_100000742850_100011934791 [0,2,0,0,0,0|2,0,0]=4 34661 B14R1.156 CN(CCCF)CCc1ccncc1 269982a_100000742850_100011934791 [0,2,0,0,0,0|2,0,0]=4 34662 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000207497_100000230001 [0,2,0,0,0,0|0,0,0]=2 34663 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000213112_100000765856 [0,2,0,0,0,0|0,0,0]=2 34664 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000207497_100011215043 [0,2,0,0,0,0|0,0,0]=2 34665 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000213112_100000765856 [0,2,0,0,0,0|0,0,0]=2 34666 B14R1.156 CN(CCCO)CCc1ccccn1 2230a_100000213112_100015183660 [0,2,0,0,0,0|1,0,0]=3 34667 B14R1.156 CN(CCCO)CCc1ccccn1 2230a_100000737206_100000230001 [0,2,0,0,0,0|1,0,0]=3 34668 B14R1.156 CN(CCCO)CCc1ccccn1 269982a_100000213112_100015183660 [0,2,0,0,0,0|1,0,0]=3 34669 B14R1.156 CN(CCCO)CCc1ccccn1 269982a_100000737206_100011215043 [0,2,0,0,0,0|1,0,0]=3 34670 B14R1.156 CN(CCCO)CCc1cccnc1 2230a_100000213112_200011713674 [0,2,0,0,0,0|1,0,0]=3 34671 B14R1.156 CN(CCCO)CCc1cccnc1 2230a_100000763209_100000230001 [0,2,0,0,0,0|1,0,0]=3 34672 B14R1.156 CN(CCCO)CCc1cccnc1 269982a_100000213112_200011713674 [0,2,0,0,0,0|1,0,0]=3 34673 B14R1.156 CN(CCCO)CCc1cccnc1 269982a_100000763209_100011215043 [0,2,0,0,0,0|1,0,0]=3 34674 B14R1.156 CN(CCCO)CCc1ccncc1 2230a_100000213112_100000723409 [0,2,0,0,0,0|1,0,0]=3 34675 B14R1.156 CN(CCCO)CCc1ccncc1 2230a_100000742850_100000230001 [0,2,0,0,0,0|1,0,0]=3 34676 B14R1.156 CN(CCCO)CCc1ccncc1 269982a_100000213112_100000723409 [0,2,0,0,0,0|1,0,0]=3 34677 B14R1.156 CN(CCCO)CCc1ccncc1 269982a_100000742850_100011215043 [0,2,0,0,0,0|1,0,0]=3 34678 B14R1.156 CN(CCCO)CSc1ccccc1 2230a_100000213112_100011218342 [0,2,0,0,0,0|1,0,0]=3 34679 B14R1.156 CN(CCCO)CSc1ccccc1 269982a_100000213112_100011218342 [0,2,0,0,0,0|1,0,0]=3 34680 B14R1.156 CNCCC(C)CCc1ccccc1 269862a_106832991636_200000075208 [0,2,0,0,0,0|1,0,0]=3 34681 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [0,2,0,0,0,0|0,0,1]=3 34682 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [0,2,0,0,0,0|0,0,1]=3 34683 B14R1.156 COCCC(=O)CCc1ccccn1 1458a_100000749529_100015183660 [0,2,0,0,0,0|1,0,1]=4 34684 B14R1.156 COCCC(=O)CCc1ccccn1 1458a_100015195070_100000233755 [0,2,0,0,0,0|1,0,1]=4 34685 B14R1.156 COCCC(=O)CCc1cccnc1 1458a_100000198484_100000233755 [0,2,0,0,0,0|1,0,1]=4 34686 B14R1.156 COCCC(=O)CCc1cccnc1 1458a_100000749529_200011713674 [0,2,0,0,0,0|1,0,1]=4 34687 B14R1.156 COCCC(=O)CCc1ccncc1 1458a_100000749529_100000723409 [0,2,0,0,0,0|1,0,1]=4 34688 B14R1.156 COCCC(=O)CCc1ccncc1 1458a_100011225043_100000233755 [0,2,0,0,0,0|1,0,1]=4 34689 B14R1.156 COCCC(=O)COc1ccccc1 1458a_100000186222_100000233755 [0,2,0,0,0,0|1,0,1]=4 34690 B14R1.156 COCCC(=O)CSc1ccccc1 1458a_100000211596_100000233755 [0,2,0,0,0,0|1,0,1]=4 34691 B14R1.156 COCCC(=O)NCc1ccccc1 11a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 34692 B14R1.156 COCCC(=O)NCc1ccccc1 1626a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 34693 B14R1.156 COCCC(=O)NCc1ccccc1 240690a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 34694 B14R1.156 COCCC(=O)NCc1ccccc1 527a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 34695 B14R1.156 COCCC(=O)OCc1ccccc1 7a_100009831632_200000210301 [0,2,0,0,0,0|1,0,1]=4 34696 B14R1.156 COCCC(C)NCc1ccccc1 270004a_100015324214_100000742357 [0,2,0,0,0,0|1,0,0]=3 34697 B14R1.156 COCCC(C)NCc1ccccn1 270004a_100000210449_100000742357 [0,2,0,0,0,0|2,0,0]=4 34698 B14R1.156 COCCC(C)NCc1cccnc1 270004a_100000210453_100000742357 [0,2,0,0,0,0|2,0,0]=4 34699 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000200122_200000210301 [0,2,0,0,0,0|1,0,0]=3 34700 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000207497_100011201679 [0,2,0,0,0,0|1,0,0]=3 34701 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000743101_100000765856 [0,2,0,0,0,0|1,0,0]=3 34702 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000200122_200000210301 [0,2,0,0,0,0|1,0,0]=3 34703 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000207497_100000233755 [0,2,0,0,0,0|1,0,0]=3 34704 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000743101_100000765856 [0,2,0,0,0,0|1,0,0]=3 34705 B14R1.156 COCCN(C)CCc1ccccc1 34a_100000200122_200000210301 [0,2,0,0,0,0|1,0,0]=3 34706 B14R1.156 COCCN(C)CCc1ccccn1 2230a_100000737206_100011201679 [0,2,0,0,0,0|2,0,0]=4 34707 B14R1.156 COCCN(C)CCc1ccccn1 2230a_100000743101_100015183660 [0,2,0,0,0,0|2,0,0]=4 34708 B14R1.156 COCCN(C)CCc1ccccn1 269982a_100000737206_100000233755 [0,2,0,0,0,0|2,0,0]=4 34709 B14R1.156 COCCN(C)CCc1ccccn1 269982a_100000743101_100015183660 [0,2,0,0,0,0|2,0,0]=4 34710 B14R1.156 COCCN(C)CCc1cccnc1 2230a_100000743101_200011713674 [0,2,0,0,0,0|2,0,0]=4 34711 B14R1.156 COCCN(C)CCc1cccnc1 2230a_100000763209_100011201679 [0,2,0,0,0,0|2,0,0]=4 34712 B14R1.156 COCCN(C)CCc1cccnc1 269982a_100000743101_200011713674 [0,2,0,0,0,0|2,0,0]=4 34713 B14R1.156 COCCN(C)CCc1cccnc1 269982a_100000763209_100000233755 [0,2,0,0,0,0|2,0,0]=4 34714 B14R1.156 COCCN(C)CCc1ccncc1 2230a_100000742850_100011201679 [0,2,0,0,0,0|2,0,0]=4 34715 B14R1.156 COCCN(C)CCc1ccncc1 2230a_100000743101_100000723409 [0,2,0,0,0,0|2,0,0]=4 34716 B14R1.156 COCCN(C)CCc1ccncc1 269982a_100000742850_100000233755 [0,2,0,0,0,0|2,0,0]=4 34717 B14R1.156 COCCN(C)CCc1ccncc1 269982a_100000743101_100000723409 [0,2,0,0,0,0|2,0,0]=4 34718 B14R1.156 COCCN(C)CSc1ccccc1 2230a_100000743101_100011218342 [0,2,0,0,0,0|2,0,0]=4 34719 B14R1.156 COCCN(C)CSc1ccccc1 269982a_100000743101_100011218342 [0,2,0,0,0,0|2,0,0]=4 34720 B14R1.156 COCCN([13CH3])CCc1ccccc1 2230a_100000200122_200025704644 [0,2,0,0,0,0|1,0,0]=3 34721 B14R1.156 COCCN([13CH3])CCc1ccccc1 269982a_100000200122_200025704644 [0,2,0,0,0,0|1,0,0]=3 34722 B14R1.156 COCCN([13CH3])CCc1ccccc1 34a_100000200122_200025704644 [0,2,0,0,0,0|1,0,0]=3 34723 B14R1.156 COCNC(C)CCc1ccccc1 2230a_100000210798_100000766300 [0,2,0,0,0,0|1,0,0]=3 34724 B14R1.156 COCNC(C)COc1ccccc1 2230a_100000746794_100000766300 [0,2,0,0,0,0|2,0,0]=4 34725 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000174002_100000765856 [0,2,0,0,0,0|0,1,1]=4 34726 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000185753_100000751147 [0,2,0,0,0,0|0,1,1]=4 34727 B14R1.156 CSCCC(C)NCc1ccccc1 270004a_100015324214_100011217047 [0,2,0,0,0,0|1,1,0]=4 34728 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000207497_100000751147 [0,2,0,0,0,0|1,1,0]=4 34729 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000686725_100000765856 [0,2,0,0,0,0|1,1,0]=4 34730 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000207497_100000212216 [0,2,0,0,0,0|1,1,0]=4 34731 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000686725_100000765856 [0,2,0,0,0,0|1,1,0]=4 34732 B14R1.156 CSCNC(C)CCc1ccccc1 2230a_100000210798_100011218213 [0,2,0,0,0,0|1,1,0]=4 34733 B14R1.156 CSCNC(C)CCc1ccccc1 34a_100000210798_100011218213 [0,2,0,0,0,0|1,1,0]=4 34734 B14R1.156 CSCO[C@@H](C)CCc1ccccc1 34a_100009815974_100011218213 [0,2,0,0,0,0|1,1,0]=4 34735 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 7a_100009815974_100011215382 [0,2,0,0,0,0|1,0,1]=4 34736 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 34a_100009815974_200009817547 [0,2,0,0,0,0|0,0,2]=4 34737 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 7a_100009815974_200015260668 [0,2,0,0,0,0|0,0,2]=4 34738 B14R1.156 C[C@@H](CCc1ccccc1)OCCF 34a_100009815974_100011217306 [0,2,0,0,0,0|1,0,0]=3 34739 B14R1.156 C[C@@H](CCc1ccccc1)OCCF 7a_100009815974_100011217306 [0,2,0,0,0,0|1,0,0]=3 34740 B14R1.156 C[C@@H](CCc1ccccc1)OCCO 34a_100009815974_100000211926 [0,2,0,0,0,0|0,0,0]=2 34741 B14R1.156 C[C@@H](CCc1ccccc1)OCCO 7a_100009815974_100000211926 [0,2,0,0,0,0|0,0,0]=2 34742 B14R1.156 C[C@H](CCCO)CNc1cccnn1 27a_100160569302_100016991348 [0,2,0,0,0,0|2,0,0]=4 34743 B14R1.156 C[C@H](CCCO)CNc1ccncn1 27a_100160569302_100000703185 [0,2,0,0,0,0|2,0,0]=4 34744 B14R1.156 C[C@H](CCCO)CNc1cnccn1 27a_100160569302_100000211759 [0,2,0,0,0,0|2,0,0]=4 34745 B14R1.156 C[C@H](CCCO)CNc1ncccn1 27a_100160569302_100000211032 [0,2,0,0,0,0|2,0,0]=4 34746 B14R1.156 C[C@H](COCF)NCc1ccccc1 34a_100000762708_100015361967 [0,2,0,0,0,0|2,0,0]=4 34747 B14R1.156 N#CCCC(=O)CCc1ccccc1 1458a_100000185753_100011215226 [0,2,0,0,0,0|1,0,1]=4 34748 B14R1.156 N#CCCC(=O)CCc1ccccc1 1458a_100011934036_100000765856 [0,2,0,0,0,0|1,0,1]=4 34749 B14R1.156 O=C(C#CCO)CCc1ccccc1 1458a_100000049017_100000765856 [0,2,0,0,0,0|0,0,2]=4 34750 B14R1.156 O=C(C#Cc1ccccc1)CCCO 1458a_100000736102_100011215043 [0,2,0,0,0,0|0,0,2]=4 34751 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,2,0,0,0,0|0,0,2]=4 34752 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [0,2,0,0,0,0|1,0,0]=3 34753 B14R1.156 O=C(CCCF)CCc1ccccn1 1458a_100015195070_100011934791 [0,2,0,0,0,0|2,0,0]=4 34754 B14R1.156 O=C(CCCF)CCc1cccnc1 1458a_100000198484_100011934791 [0,2,0,0,0,0|2,0,0]=4 34755 B14R1.156 O=C(CCCF)CCc1ccncc1 1458a_100011225043_100011934791 [0,2,0,0,0,0|2,0,0]=4 34756 B14R1.156 O=C(CCCF)COc1ccccc1 1458a_100000186222_100011934791 [0,2,0,0,0,0|1,0,1]=4 34757 B14R1.156 O=C(CCCF)CSc1ccccc1 1458a_100000211596_100011934791 [0,2,0,0,0,0|1,0,1]=4 34758 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [0,2,0,0,0,0|0,0,0]=2 34759 B14R1.156 O=C(CCCO)CCc1ccccn1 1458a_100015195070_100011215043 [0,2,0,0,0,0|1,0,0]=3 34760 B14R1.156 O=C(CCCO)CCc1cccnc1 1458a_100000198484_100011215043 [0,2,0,0,0,0|1,0,0]=3 34761 B14R1.156 O=C(CCCO)CCc1ccncc1 1458a_100011225043_100011215043 [0,2,0,0,0,0|1,0,0]=3 34762 B14R1.156 O=C(CCCO)COc1ccccc1 1458a_100000186222_100011215043 [0,2,0,0,0,0|0,0,1]=3 34763 B14R1.156 O=C(CCCO)COc1ccccn1 1458a_100102699861_100011215043 [0,2,0,0,0,0|1,0,1]=4 34764 B14R1.156 O=C(CCCO)COc1cccnc1 1458a_100015207166_100011215043 [0,2,0,0,0,0|1,0,1]=4 34765 B14R1.156 O=C(CCCO)CSc1ccccc1 1458a_100000211596_100011215043 [0,2,0,0,0,0|0,0,1]=3 34766 B14R1.156 O=C(CCCO)CSc1ccccn1 1458a_100000156281_100011215043 [0,2,0,0,0,0|1,0,1]=4 34767 B14R1.156 O=C(CCCO)CSc1ccncc1 1458a_100000211328_100011215043 [0,2,0,0,0,0|1,0,1]=4 34768 B14R1.156 O=C(CCc1ccccc1)CSCF 62a_100012361361_100015361967 [0,2,0,0,0,0|1,0,1]=4 34769 B14R1.156 O=C(CCc1ccccc1)CSCF 62a_100015361967_100012361361 [0,2,0,0,0,0|1,0,1]=4 34770 B14R1.156 O=C(CCc1ccccc1)NCCF 11a_100000724931_100000185753 [0,2,0,0,0,0|1,0,1]=4 34771 B14R1.156 O=C(CCc1ccccc1)NCCF 1626a_100000724931_100000185753 [0,2,0,0,0,0|1,0,1]=4 34772 B14R1.156 O=C(CCc1ccccc1)NCCF 240690a_100000724931_100000185753 [0,2,0,0,0,0|1,0,1]=4 34773 B14R1.156 O=C(CCc1ccccc1)NCCF 527a_100000724931_100000185753 [0,2,0,0,0,0|1,0,1]=4 34774 B14R1.156 O=C(CCc1ccccc1)NCCO 240690a_100000210304_100000185753 [0,2,0,0,0,0|0,0,1]=3 34775 B14R1.156 O=C(CCc1ccccc1)NCCO 527a_100000210304_100000185753 [0,2,0,0,0,0|0,0,1]=3 34776 B14R1.156 O=C(CCc1ccccn1)NCCO 240690a_100000210304_100015195070 [0,2,0,0,0,0|1,0,1]=4 34777 B14R1.156 O=C(CCc1ccccn1)NCCO 527a_100000210304_100015195070 [0,2,0,0,0,0|1,0,1]=4 34778 B14R1.156 O=C(CCc1cccnc1)NCCO 240690a_100000210304_100000198484 [0,2,0,0,0,0|1,0,1]=4 34779 B14R1.156 O=C(CCc1cccnc1)NCCO 527a_100000210304_100000198484 [0,2,0,0,0,0|1,0,1]=4 34780 B14R1.156 O=C(CCc1ccncc1)NCCO 240690a_100000210304_100011225043 [0,2,0,0,0,0|1,0,1]=4 34781 B14R1.156 O=C(CCc1ccncc1)NCCO 527a_100000210304_100011225043 [0,2,0,0,0,0|1,0,1]=4 34782 B14R1.156 O=C(COc1ccccc1)NCCO 240690a_100000210304_100000186222 [0,2,0,0,0,0|1,0,1]=4 34783 B14R1.156 O=C(COc1ccccc1)NCCO 527a_100000210304_100000186222 [0,2,0,0,0,0|1,0,1]=4 34784 B14R1.156 O=C(CSc1ccccc1)NCCO 240690a_100000210304_100000211596 [0,2,0,0,0,0|1,0,1]=4 34785 B14R1.156 O=C(CSc1ccccc1)NCCO 527a_100000210304_100000211596 [0,2,0,0,0,0|1,0,1]=4 34786 B14R1.156 O=C(NCCO)NCc1ccccc1 2708a_100015324214_100000210304 [0,2,0,0,0,0|1,0,1]=4 34787 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100000210304_100015324214 [0,2,0,0,0,0|1,0,1]=4 34788 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100015324214_100000210304 [0,2,0,0,0,0|1,0,1]=4 34789 B14R1.156 O=C(NCCO)NCc1ccccc1 512a_100015324214_100000210304 [0,2,0,0,0,0|1,0,1]=4 34790 B14R1.156 OC(CNCF)COc1ccccc1 34a_100000738913_100015361967 [0,2,0,0,0,0|2,0,0]=4 34791 B14R1.156 [13CH3]OCCC(=O)OCc1ccccc1 7a_100009831632_200025704644 [0,2,0,0,0,0|1,0,1]=4 34792 B14R1.158 C#CCCCC(=O)Cc1ccccc1 1458a_100000690238_100015291786 [0,2,0,0,0,0|1,0,1]=4 34793 B14R1.158 C#CCCCN(C)Cc1ccccc1 2230a_100000186898_100000731252 [0,2,0,0,0,0|1,0,1]=4 34794 B14R1.158 C#CCCCN(C)Cc1ccccc1 269982a_100000186898_100011215417 [0,2,0,0,0,0|1,0,1]=4 34795 B14R1.158 C#CCCNC(C)Cc1ccccc1 34a_100000755551_200011218536 [0,2,0,0,0,0|1,0,1]=4 34796 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100000748627_100000688953 [0,2,0,0,0,0|1,0,1]=4 34797 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100011215631_200011218536 [0,2,0,0,0,0|1,0,1]=4 34798 B14R1.158 C#CCCOC(C)Cc1ccccc1 7a_100000748627_100000688953 [0,2,0,0,0,0|1,0,1]=4 34799 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_100000688953_200011218536 [0,2,0,0,0,0|1,0,1]=4 34800 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_200011218536_100000688953 [0,2,0,0,0,0|1,0,1]=4 34801 B14R1.158 C#CCNCC(O)Cc1ccccc1 2230a_100000752270_100000038162 [0,2,0,0,0,0|1,0,1]=4 34802 B14R1.158 C#CCNC[C@@H](O)Cc1ccccc1 34a_100000212058_100000729385 [0,2,0,0,0,0|1,0,1]=4 34803 B14R1.158 C#CCOCC(C)Cc1ccccc1 34a_100012125295_100000184674 [0,2,0,0,0,0|1,0,1]=4 34804 B14R1.158 C#CCOCC(C)Cc1ccccc1 7a_100012125295_100000038162 [0,2,0,0,0,0|1,0,1]=4 34805 B14R1.158 C#CCOCC(N)Cc1ccccc1 34a_100000739027_100000184674 [0,2,0,0,0,0|1,0,1]=4 34806 B14R1.158 C#CCOC[C@@H](O)Cc1ccccc1 34a_100000210247_100000729385 [0,2,0,0,0,0|1,0,1]=4 34807 B14R1.158 C#CCSC[C@@H](O)Cc1ccccc1 62a_100000038162_100000729385 [0,2,0,0,0,0|1,0,1]=4 34808 B14R1.158 C/C(=C\c1ccccc1)/COCCO 34a_200025717232_100000211926 [0,2,0,0,0,0|0,0,2]=4 34809 B14R1.158 C/C(=C\c1ccccc1)/COCCO 7a_200025717232_100000211926 [0,2,0,0,0,0|0,0,2]=4 34810 B14R1.158 C=CCCCC(=O)Cc1ccccc1 1458a_100000766728_100015291786 [0,2,0,0,0,0|1,0,1]=4 34811 B14R1.158 C=CCCCN(C)Cc1ccccc1 2230a_100000186898_100011713584 [0,2,0,0,0,0|1,0,1]=4 34812 B14R1.158 C=CCCCN(C)Cc1ccccc1 269982a_100000186898_100000757094 [0,2,0,0,0,0|1,0,1]=4 34813 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100000748627_100000754431 [0,2,0,0,0,0|1,0,1]=4 34814 B14R1.158 C=CCCOC(C)Cc1ccccc1 34a_100011205117_200011218536 [0,2,0,0,0,0|1,0,1]=4 34815 B14R1.158 C=CCCOC(C)Cc1ccccc1 7a_100000748627_100000754431 [0,2,0,0,0,0|1,0,1]=4 34816 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_100000754431_200011218536 [0,2,0,0,0,0|1,0,1]=4 34817 B14R1.158 C=CCCSC(C)Cc1ccccc1 62a_200011218536_100000754431 [0,2,0,0,0,0|1,0,1]=4 34818 B14R1.158 C=CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210623 [0,2,0,0,0,0|1,0,1]=4 34819 B14R1.158 C=CCNC[C@@H](O)Cc1ccccc1 2230a_100020586998_100000729385 [0,2,0,0,0,0|1,0,1]=4 34820 B14R1.158 C=CCOCC(C)Cc1ccccc1 34a_100012125295_100015514636 [0,2,0,0,0,0|1,0,1]=4 34821 B14R1.158 C=CCOCC(C)Cc1ccccc1 7a_100012125295_100015514636 [0,2,0,0,0,0|1,0,1]=4 34822 B14R1.158 C=CCOCC(N)Cc1ccccc1 34a_100000739027_100015514636 [0,2,0,0,0,0|1,0,1]=4 34823 B14R1.158 C=CCOC[C@@H](O)Cc1ccccc1 34a_200000210373_100000729385 [0,2,0,0,0,0|1,0,1]=4 34824 B14R1.158 C=CCSC[C@@H](O)Cc1ccccc1 62a_100000210623_100000729385 [0,2,0,0,0,0|1,0,1]=4 34825 B14R1.158 C=CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210623 [0,2,0,0,0,0|1,0,1]=4 34826 B14R1.158 CC(CNCCF)Oc1ccccc1 2230a_100000755676_100011217306 [0,2,0,0,0,0|2,0,0]=4 34827 B14R1.158 CC(CNCCF)Oc1ccccc1 34a_100000755676_100011217306 [0,2,0,0,0,0|2,0,0]=4 34828 B14R1.158 CC(CNCCO)Oc1ccccc1 2230a_100000755676_100000211926 [0,2,0,0,0,0|1,0,0]=3 34829 B14R1.158 CC(CNCCO)Oc1ccccc1 34a_100000755676_100000211926 [0,2,0,0,0,0|1,0,0]=3 34830 B14R1.158 CC(CNCCO)Oc1cccnc1 2230a_200011219418_100000211926 [0,2,0,0,0,0|2,0,0]=4 34831 B14R1.158 CC(COCC#N)Cc1ccccc1 7a_100012125295_100011215382 [0,2,0,0,0,0|1,0,1]=4 34832 B14R1.158 CC(COCC=O)Cc1ccccc1 34a_100012125295_200009817547 [0,2,0,0,0,0|0,0,2]=4 34833 B14R1.158 CC(COCC=O)Cc1ccccc1 7a_100012125295_200015260668 [0,2,0,0,0,0|0,0,2]=4 34834 B14R1.158 CC(COCCF)Cc1ccccc1 34a_100012125295_100011217306 [0,2,0,0,0,0|1,0,0]=3 34835 B14R1.158 CC(COCCF)Cc1ccccc1 7a_100012125295_100011217306 [0,2,0,0,0,0|1,0,0]=3 34836 B14R1.158 CC(COCCF)Oc1ccccc1 34a_200000036796_100011217306 [0,2,0,0,0,0|2,0,0]=4 34837 B14R1.158 CC(COCCF)Oc1ccccc1 7a_200000036796_100011217306 [0,2,0,0,0,0|2,0,0]=4 34838 B14R1.158 CC(COCCO)Cc1ccccc1 34a_100012125295_100000211926 [0,2,0,0,0,0|0,0,0]=2 34839 B14R1.158 CC(COCCO)Cc1ccccc1 7a_100012125295_100000211926 [0,2,0,0,0,0|0,0,0]=2 34840 B14R1.158 CC(COCCO)Oc1ccccc1 34a_200000036796_100000211926 [0,2,0,0,0,0|1,0,0]=3 34841 B14R1.158 CC(COCCO)Oc1ccccc1 7a_200000036796_100000211926 [0,2,0,0,0,0|1,0,0]=3 34842 B14R1.158 CC(C[n+]1ccccc1)NCCCF 270004a_100015189416_100000034229 [0,2,0,0,0,0|2,0,0]=4 34843 B14R1.158 CC(C[n+]1ccccc1)NCCCO 270004a_100000182051_100000034229 [0,2,0,0,0,0|1,0,0]=3 34844 B14R1.158 CC(Cc1ccccc1)NCCCF 34a_100015189416_200011218536 [0,2,0,0,0,0|1,0,0]=3 34845 B14R1.158 CC(Cc1ccccc1)OCCC#N 7a_100000748627_100000184422 [0,2,0,0,0,0|1,0,1]=4 34846 B14R1.158 CC(Cc1ccccc1)OCCCBr 34a_100011217188_200011218536 [0,2,0,0,0,0|1,0,0]=3 34847 B14R1.158 CC(Cc1ccccc1)OCCCCl 34a_100000230001_200011218536 [0,2,0,0,0,0|1,0,0]=3 34848 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000748627_100011934791 [0,2,0,0,0,0|1,0,0]=3 34849 B14R1.158 CC(Cc1ccccc1)OCCCF 34a_100000759539_200011218536 [0,2,0,0,0,0|1,0,0]=3 34850 B14R1.158 CC(Cc1ccccc1)OCCCF 7a_100000748627_100011934791 [0,2,0,0,0,0|1,0,0]=3 34851 B14R1.158 CC(Cc1ccccc1)OCCCN 34a_100000182051_200011218536 [0,2,0,0,0,0|1,0,0]=3 34852 B14R1.158 CC(Cc1ccccc1)OCCCO 34a_100000748627_100000230001 [0,2,0,0,0,0|0,0,0]=2 34853 B14R1.158 CC(Cc1ccccc1)OCCCO 7a_100000748627_100011215043 [0,2,0,0,0,0|0,0,0]=2 34854 B14R1.158 CC(Cc1ccccc1)OCCON 34a_100000700252_200011218536 [0,2,0,0,0,0|1,0,0]=3 34855 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_100011215226_200011218536 [0,2,0,0,0,0|1,0,1]=4 34856 B14R1.158 CC(Cc1ccccc1)SCCC#N 62a_200011218536_100011215226 [0,2,0,0,0,0|1,0,1]=4 34857 B14R1.158 CC(Cc1ccccc1)SCCCF 62a_100011934791_200011218536 [0,2,0,0,0,0|1,0,0]=3 34858 B14R1.158 CC(Cc1ccccc1)SCCCF 62a_200011218536_100011934791 [0,2,0,0,0,0|1,0,0]=3 34859 B14R1.158 CC(Cc1ccccc1)SCCCO 62a_100011215043_200011218536 [0,2,0,0,0,0|0,0,0]=2 34860 B14R1.158 CC(Cc1ccccc1)SCCCO 62a_200011218536_100011215043 [0,2,0,0,0,0|0,0,0]=2 34861 B14R1.158 CC(Cc1ccccn1)NCCCF 2230a_100000238496_100011934791 [0,2,0,0,0,0|2,0,0]=4 34862 B14R1.158 CC(Cc1ccccn1)NCCCO 2230a_100000238496_100000230001 [0,2,0,0,0,0|1,0,0]=3 34863 B14R1.158 CC(Cc1cccnc1)NCCCF 2230a_100011207255_100011934791 [0,2,0,0,0,0|2,0,0]=4 34864 B14R1.158 CC(Cc1cccnc1)NCCCF 270004a_100015189416_100015187140 [0,2,0,0,0,0|2,0,0]=4 34865 B14R1.158 CC(Cc1cccnc1)NCCCO 2230a_100011207255_100000230001 [0,2,0,0,0,0|1,0,0]=3 34866 B14R1.158 CC(Cc1cccnc1)NCCCO 270004a_100000182051_100015187140 [0,2,0,0,0,0|1,0,0]=3 34867 B14R1.158 CC(Cc1ccncc1)NCCCF 270004a_100015189416_100000238508 [0,2,0,0,0,0|2,0,0]=4 34868 B14R1.158 CC(Cc1ccncc1)NCCCO 270004a_100000182051_100000238508 [0,2,0,0,0,0|1,0,0]=3 34869 B14R1.158 CC(Cc1cnccn1)NCCCO 2230a_100011277835_100000230001 [0,2,0,0,0,0|2,0,0]=4 34870 B14R1.158 CC(Cc1cnccn1)NCCCO 270004a_100000182051_100015184882 [0,2,0,0,0,0|2,0,0]=4 34871 B14R1.158 CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210326 [0,2,0,0,0,0|2,0,0]=4 34872 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [0,2,0,0,0,0|1,0,0]=3 34873 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000212188_100000721315 [0,2,0,0,0,0|2,0,0]=4 34874 B14R1.158 CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210326 [0,2,0,0,0,0|2,0,0]=4 34875 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000212188_100000733263 [0,2,0,0,0,0|2,0,0]=4 34876 B14R1.158 CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210326 [0,2,0,0,0,0|2,0,0]=4 34877 B14R1.158 CCCCCC(=O)Cc1ccncc1 1458a_100000212188_100000705612 [0,2,0,0,0,0|2,0,0]=4 34878 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [0,2,0,0,0,0|1,0,1]=4 34879 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [0,2,0,0,0,0|1,0,1]=4 34880 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [0,2,0,0,0,0|1,0,1]=4 34881 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [0,2,0,0,0,0|1,0,1]=4 34882 B14R1.158 CCCCCC(C)Nc1ccccc1 34a_100000106764_200011218191 [0,2,0,0,0,0|1,0,0]=3 34883 B14R1.158 CCCCCC(C)Oc1ccccc1 34a_100000210340_200011218191 [0,2,0,0,0,0|1,0,0]=3 34884 B14R1.158 CCCCCC(C)Oc1ccccc1 7a_100000210340_200011218191 [0,2,0,0,0,0|1,0,0]=3 34885 B14R1.158 CCCCCC(C)Oc1cccnc1 34a_100000210849_200011218191 [0,2,0,0,0,0|2,0,0]=4 34886 B14R1.158 CCCCCC(C)Oc1cccnc1 7a_100000210849_200011218191 [0,2,0,0,0,0|2,0,0]=4 34887 B14R1.158 CCCCCC(C)Oc1ccncc1 34a_100000212176_200011218191 [0,2,0,0,0,0|2,0,0]=4 34888 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_100000719477_200011218191 [0,2,0,0,0,0|1,0,0]=3 34889 B14R1.158 CCCCCC(C)Sc1ccccc1 62a_200011218191_100000041952 [0,2,0,0,0,0|1,0,0]=3 34890 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_100011216584_200011218191 [0,2,0,0,0,0|2,0,0]=4 34891 B14R1.158 CCCCCC(C)Sc1ccccn1 62a_200011218191_100011216584 [0,2,0,0,0,0|2,0,0]=4 34892 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_100000210063_200011218191 [0,2,0,0,0,0|2,0,0]=4 34893 B14R1.158 CCCCCC(C)Sc1cccnc1 62a_200011218191_100000210063 [0,2,0,0,0,0|2,0,0]=4 34894 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_100000728582_200011218191 [0,2,0,0,0,0|2,0,0]=4 34895 B14R1.158 CCCCCC(C)Sc1ccncc1 62a_200011218191_100000728582 [0,2,0,0,0,0|2,0,0]=4 34896 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210326 [0,2,0,0,0,0|1,0,0]=3 34897 B14R1.158 CCCCCN(C)Cc1ccccc1 2230a_100000223495_100015291786 [0,2,0,0,0,0|1,0,0]=3 34898 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210215 [0,2,0,0,0,0|1,0,0]=3 34899 B14R1.158 CCCCCN(C)Cc1ccccc1 269982a_100000223495_100000211182 [0,2,0,0,0,0|1,0,0]=3 34900 B14R1.158 CCCCCN(C)Cc1ccccc1 270004a_100000223495_100015611070 [0,2,0,0,0,0|1,0,0]=3 34901 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000207498_100000210326 [0,2,0,0,0,0|2,0,0]=4 34902 B14R1.158 CCCCCN(C)Cc1ccccn1 2230a_100000223495_100000721315 [0,2,0,0,0,0|2,0,0]=4 34903 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000207498_100000210215 [0,2,0,0,0,0|2,0,0]=4 34904 B14R1.158 CCCCCN(C)Cc1ccccn1 269982a_100000223495_100000721315 [0,2,0,0,0,0|2,0,0]=4 34905 B14R1.158 CCCCCN(C)Cc1ccccn1 270004a_100000223495_100000209966 [0,2,0,0,0,0|2,0,0]=4 34906 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000184577_100000210326 [0,2,0,0,0,0|2,0,0]=4 34907 B14R1.158 CCCCCN(C)Cc1cccnc1 2230a_100000223495_100000741622 [0,2,0,0,0,0|2,0,0]=4 34908 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000184577_100000210215 [0,2,0,0,0,0|2,0,0]=4 34909 B14R1.158 CCCCCN(C)Cc1cccnc1 269982a_100000223495_100000733263 [0,2,0,0,0,0|2,0,0]=4 34910 B14R1.158 CCCCCN(C)Cc1cccnc1 270004a_100000223495_100000209961 [0,2,0,0,0,0|2,0,0]=4 34911 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000187231_100000210326 [0,2,0,0,0,0|2,0,0]=4 34912 B14R1.158 CCCCCN(C)Cc1ccncc1 2230a_100000223495_100015193705 [0,2,0,0,0,0|2,0,0]=4 34913 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000187231_100000210215 [0,2,0,0,0,0|2,0,0]=4 34914 B14R1.158 CCCCCN(C)Cc1ccncc1 269982a_100000223495_100015193705 [0,2,0,0,0,0|2,0,0]=4 34915 B14R1.158 CCCCNC(C)C[n+]1ccccc1 270004a_100000102301_100000034229 [0,2,0,0,0,0|2,0,0]=4 34916 B14R1.158 CCCCNC(C)Cc1ccccc1 7a_106832991798_200011218536 [0,2,0,0,0,0|1,0,0]=3 34917 B14R1.158 CCCCNC(C)Cc1ccccn1 2230a_100000238496_100000210211 [0,2,0,0,0,0|2,0,0]=4 34918 B14R1.158 CCCCNC(C)Cc1cccnc1 2230a_100011207255_100000210211 [0,2,0,0,0,0|2,0,0]=4 34919 B14R1.158 CCCCNC(C)Cc1cccnc1 270004a_100000102301_100015187140 [0,2,0,0,0,0|2,0,0]=4 34920 B14R1.158 CCCCNC(C)Cc1ccncc1 270004a_100000102301_100000238508 [0,2,0,0,0,0|2,0,0]=4 34921 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000210227_200011218536 [0,2,0,0,0,0|1,0,0]=3 34922 B14R1.158 CCCCOC(C)Cc1ccccc1 34a_100000748627_100000210210 [0,2,0,0,0,0|1,0,0]=3 34923 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000210227_200011218536 [0,2,0,0,0,0|1,0,0]=3 34924 B14R1.158 CCCCOC(C)Cc1ccccc1 7a_100000748627_100000210211 [0,2,0,0,0,0|1,0,0]=3 34925 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_100000210211_200011218536 [0,2,0,0,0,0|1,0,0]=3 34926 B14R1.158 CCCCSC(C)Cc1ccccc1 62a_200011218536_100000210210 [0,2,0,0,0,0|1,0,0]=3 34927 B14R1.158 CCCNCC(C)Oc1ccccc1 2230a_100000755676_100000210303 [0,2,0,0,0,0|2,0,0]=4 34928 B14R1.158 CCCNCC(C)Oc1ccccc1 34a_100000755676_100000210303 [0,2,0,0,0,0|2,0,0]=4 34929 B14R1.158 CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210303 [0,2,0,0,0,0|1,0,0]=3 34930 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [0,2,0,0,0,0|1,0,1]=4 34931 B14R1.158 CCCOCC(C)Cc1ccccc1 34a_100012125295_100000210303 [0,2,0,0,0,0|1,0,0]=3 34932 B14R1.158 CCCOCC(C)Cc1ccccc1 7a_100012125295_100000210303 [0,2,0,0,0,0|1,0,0]=3 34933 B14R1.158 CCCOCC(C)Oc1ccccc1 34a_200000036796_100000210303 [0,2,0,0,0,0|2,0,0]=4 34934 B14R1.158 CCCOCC(C)Oc1ccccc1 7a_200000036796_100000210303 [0,2,0,0,0,0|2,0,0]=4 34935 B14R1.158 CCCOCC(N)Cc1ccccc1 34a_100000739027_100000210303 [0,2,0,0,0,0|1,0,0]=3 34936 B14R1.158 CCCOC[C@@H](O)Cc1ccccc1 34a_100000210258_100000729385 [0,2,0,0,0,0|1,0,0]=3 34937 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [0,2,0,0,0,0|1,0,1]=4 34938 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [0,2,0,0,0,0|1,0,1]=4 34939 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [0,2,0,0,0,0|1,0,1]=4 34940 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000210303_100000729385 [0,2,0,0,0,0|1,0,0]=3 34941 B14R1.158 CCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210303 [0,2,0,0,0,0|1,0,0]=3 34942 B14R1.158 CCNCCN(C)Cc1ccccc1 2230a_100015525214_100015196923 [0,2,0,0,0,0|2,0,0]=4 34943 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [0,2,0,0,0,0|1,0,1]=4 34944 B14R1.158 CCOCCN(C)Cc1ccccc1 2230a_100000186898_100011215890 [0,2,0,0,0,0|2,0,0]=4 34945 B14R1.158 CCOCCN(C)Cc1ccccc1 269982a_100000186898_100011215890 [0,2,0,0,0,0|2,0,0]=4 34946 B14R1.158 CCOCCN(C)Cc1ccccc1 34a_100121572206_100015196923 [0,2,0,0,0,0|2,0,0]=4 34947 B14R1.158 CCOCSC(C)Cc1ccccc1 62a_100000739092_200011218536 [0,2,0,0,0,0|2,0,0]=4 34948 B14R1.158 CCOCSC(C)Cc1ccccc1 62a_200011218536_100000739092 [0,2,0,0,0,0|2,0,0]=4 34949 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [0,2,0,0,0,0|1,0,1]=4 34950 B14R1.158 CCSCCN(C)Cc1ccccc1 2230a_100000186898_100000757381 [0,2,0,0,0,0|2,0,0]=4 34951 B14R1.158 CCSCCN(C)Cc1ccccc1 269982a_100000186898_100000757381 [0,2,0,0,0,0|2,0,0]=4 34952 B14R1.158 CCSCCN(C)Cc1ccccc1 62a_100000210202_100015196923 [0,2,0,0,0,0|2,0,0]=4 34953 B14R1.158 CN(CC#CCO)Cc1ccccc1 2230a_100000186898_200000047223 [0,2,0,0,0,0|0,0,2]=4 34954 B14R1.158 CN(CCCC#N)Cc1ccccc1 2230a_100000186898_100000687738 [0,2,0,0,0,0|1,0,1]=4 34955 B14R1.158 CN(CCCC#N)Cc1ccccc1 269982a_100000186898_100000687738 [0,2,0,0,0,0|1,0,1]=4 34956 B14R1.158 CN(CCCC=O)Cc1ccccc1 2230a_100000186898_200011292268 [0,2,0,0,0,0|0,0,2]=4 34957 B14R1.158 CN(CCCC=O)Cc1ccccc1 269982a_100000186898_200011292268 [0,2,0,0,0,0|0,0,2]=4 34958 B14R1.158 CN(CCCCF)Cc1ccccc1 2230a_100000186898_100000729493 [0,2,0,0,0,0|1,0,0]=3 34959 B14R1.158 CN(CCCCF)Cc1ccccc1 269982a_100000186898_100000729493 [0,2,0,0,0,0|1,0,0]=3 34960 B14R1.158 CN(CCCCF)Cc1ccccn1 2230a_100000207498_100000729493 [0,2,0,0,0,0|2,0,0]=4 34961 B14R1.158 CN(CCCCF)Cc1ccccn1 269982a_100000207498_100000729493 [0,2,0,0,0,0|2,0,0]=4 34962 B14R1.158 CN(CCCCF)Cc1cccnc1 2230a_100000184577_100000729493 [0,2,0,0,0,0|2,0,0]=4 34963 B14R1.158 CN(CCCCF)Cc1cccnc1 269982a_100000184577_100000729493 [0,2,0,0,0,0|2,0,0]=4 34964 B14R1.158 CN(CCCCF)Cc1ccncc1 2230a_100000187231_100000729493 [0,2,0,0,0,0|2,0,0]=4 34965 B14R1.158 CN(CCCCF)Cc1ccncc1 269982a_100000187231_100000729493 [0,2,0,0,0,0|2,0,0]=4 34966 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186360_200000210301 [0,2,0,0,0,0|0,0,0]=2 34967 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000186898_100000210776 [0,2,0,0,0,0|0,0,0]=2 34968 B14R1.158 CN(CCCCO)Cc1ccccc1 2230a_100000717598_100015291786 [0,2,0,0,0,0|0,0,0]=2 34969 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186360_200000210301 [0,2,0,0,0,0|0,0,0]=2 34970 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000186898_100000210776 [0,2,0,0,0,0|0,0,0]=2 34971 B14R1.158 CN(CCCCO)Cc1ccccc1 269982a_100000717598_100000211182 [0,2,0,0,0,0|0,0,0]=2 34972 B14R1.158 CN(CCCCO)Cc1ccccc1 270004a_100000717598_100015611070 [0,2,0,0,0,0|0,0,0]=2 34973 B14R1.158 CN(CCCCO)Cc1ccccn1 2230a_100000207498_100000210776 [0,2,0,0,0,0|1,0,0]=3 34974 B14R1.158 CN(CCCCO)Cc1ccccn1 2230a_100000717598_100000721315 [0,2,0,0,0,0|1,0,0]=3 34975 B14R1.158 CN(CCCCO)Cc1ccccn1 269982a_100000207498_100000210776 [0,2,0,0,0,0|1,0,0]=3 34976 B14R1.158 CN(CCCCO)Cc1ccccn1 269982a_100000717598_100000721315 [0,2,0,0,0,0|1,0,0]=3 34977 B14R1.158 CN(CCCCO)Cc1ccccn1 270004a_100000717598_100000209966 [0,2,0,0,0,0|1,0,0]=3 34978 B14R1.158 CN(CCCCO)Cc1cccnc1 2230a_100000184577_100000210776 [0,2,0,0,0,0|1,0,0]=3 34979 B14R1.158 CN(CCCCO)Cc1cccnc1 2230a_100000717598_100000741622 [0,2,0,0,0,0|1,0,0]=3 34980 B14R1.158 CN(CCCCO)Cc1cccnc1 269982a_100000184577_100000210776 [0,2,0,0,0,0|1,0,0]=3 34981 B14R1.158 CN(CCCCO)Cc1cccnc1 269982a_100000717598_100000733263 [0,2,0,0,0,0|1,0,0]=3 34982 B14R1.158 CN(CCCCO)Cc1cccnc1 270004a_100000717598_100000209961 [0,2,0,0,0,0|1,0,0]=3 34983 B14R1.158 CN(CCCCO)Cc1cccnn1 2230a_100000717598_100016990269 [0,2,0,0,0,0|2,0,0]=4 34984 B14R1.158 CN(CCCCO)Cc1ccncc1 2230a_100000187231_100000210776 [0,2,0,0,0,0|1,0,0]=3 34985 B14R1.158 CN(CCCCO)Cc1ccncc1 2230a_100000717598_100015193705 [0,2,0,0,0,0|1,0,0]=3 34986 B14R1.158 CN(CCCCO)Cc1ccncc1 269982a_100000187231_100000210776 [0,2,0,0,0,0|1,0,0]=3 34987 B14R1.158 CN(CCCCO)Cc1ccncc1 269982a_100000717598_100015193705 [0,2,0,0,0,0|1,0,0]=3 34988 B14R1.158 CN(CCCCO)Cc1ccnnc1 270004a_100000717598_100011934578 [0,2,0,0,0,0|2,0,0]=4 34989 B14R1.158 CN(CCCCO)Cc1cnccn1 2230a_100000717598_100016995436 [0,2,0,0,0,0|2,0,0]=4 34990 B14R1.158 CN(CCCCO)Cc1cnccn1 2230a_100011269079_100000210776 [0,2,0,0,0,0|2,0,0]=4 34991 B14R1.158 CN(CCCCO)Cc1cnccn1 269982a_100000717598_100016995436 [0,2,0,0,0,0|2,0,0]=4 34992 B14R1.158 CN(CCCCO)Cc1cnccn1 269982a_100011269079_100000210776 [0,2,0,0,0,0|2,0,0]=4 34993 B14R1.158 CN(CCCCO)Cc1cnccn1 270004a_100000717598_100000749867 [0,2,0,0,0,0|2,0,0]=4 34994 B14R1.158 CN(CCCCO)Cc1cncnc1 2230a_100000717598_100015196519 [0,2,0,0,0,0|2,0,0]=4 34995 B14R1.158 CN(CCCCO)Cc1cncnc1 269982a_100000717598_100016991940 [0,2,0,0,0,0|2,0,0]=4 34996 B14R1.158 CN(CCCCO)Cc1cncnc1 270004a_100000717598_100000749868 [0,2,0,0,0,0|2,0,0]=4 34997 B14R1.158 CN(CCCCO)Cc1ncccn1 2230a_100000717598_100000703007 [0,2,0,0,0,0|2,0,0]=4 34998 B14R1.158 CN(CCCCO)Cc1ncccn1 2230a_100025716638_100000210776 [0,2,0,0,0,0|2,0,0]=4 34999 B14R1.158 CN(CCCCO)Cc1ncccn1 269982a_100000717598_100000703007 [0,2,0,0,0,0|2,0,0]=4 35000 B14R1.158 CN(CCCCO)Cc1ncccn1 269982a_100025716638_100000210776 [0,2,0,0,0,0|2,0,0]=4 35001 B14R1.158 CN(CCCCO)Cc1ncccn1 270004a_100000717598_100011532527 [0,2,0,0,0,0|2,0,0]=4 35002 B14R1.158 CN(CCSCF)Cc1ccccc1 62a_100015361967_100015196923 [0,2,0,0,0,0|2,0,0]=4 35003 B14R1.158 COCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000740836 [0,2,0,0,0,0|1,0,1]=4 35004 B14R1.158 COCCCC(=O)Cc1ccccc1 1458a_100000741012_100015291786 [0,2,0,0,0,0|0,0,1]=3 35005 B14R1.158 COCCCC(=O)Cc1ccccn1 1458a_100000233486_100000740836 [0,2,0,0,0,0|1,0,1]=4 35006 B14R1.158 COCCCC(=O)Cc1ccccn1 1458a_100000741012_100000721315 [0,2,0,0,0,0|1,0,1]=4 35007 B14R1.158 COCCCC(=O)Cc1cccnc1 1458a_100000737805_100000740836 [0,2,0,0,0,0|1,0,1]=4 35008 B14R1.158 COCCCC(=O)Cc1cccnc1 1458a_100000741012_100000733263 [0,2,0,0,0,0|1,0,1]=4 35009 B14R1.158 COCCCC(=O)Cc1ccncc1 1458a_100000741012_100000705612 [0,2,0,0,0,0|1,0,1]=4 35010 B14R1.158 COCCCC(=O)Nc1ccccc1 11a_100000106764_100000741012 [0,2,0,0,0,0|1,0,1]=4 35011 B14R1.158 COCCCC(=O)Nc1ccccc1 1626a_100000106764_100000741012 [0,2,0,0,0,0|1,0,1]=4 35012 B14R1.158 COCCCC(=O)Nc1ccccc1 22a_100000106764_100000741012 [0,2,0,0,0,0|1,0,1]=4 35013 B14R1.158 COCCCC(=O)Nc1ccccc1 34a_100138415774_100011194425 [0,2,0,0,0,0|1,0,1]=4 35014 B14R1.158 COCCCC(=O)Nc1ccccc1 527a_100000106764_100000741012 [0,2,0,0,0,0|1,0,1]=4 35015 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000186898_100000740836 [0,2,0,0,0,0|1,0,0]=3 35016 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000224831_100015291786 [0,2,0,0,0,0|1,0,0]=3 35017 B14R1.158 COCCCN(C)Cc1ccccc1 2230a_100000707625_200000210301 [0,2,0,0,0,0|1,0,0]=3 35018 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000186898_100000740836 [0,2,0,0,0,0|1,0,0]=3 35019 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000224831_100000211182 [0,2,0,0,0,0|1,0,0]=3 35020 B14R1.158 COCCCN(C)Cc1ccccc1 269982a_100000707625_200000210301 [0,2,0,0,0,0|1,0,0]=3 35021 B14R1.158 COCCCN(C)Cc1ccccc1 270004a_100000224831_100015611070 [0,2,0,0,0,0|1,0,0]=3 35022 B14R1.158 COCCCN(C)Cc1ccccn1 2230a_100000207498_100000740836 [0,2,0,0,0,0|2,0,0]=4 35023 B14R1.158 COCCCN(C)Cc1ccccn1 2230a_100000224831_100000721315 [0,2,0,0,0,0|2,0,0]=4 35024 B14R1.158 COCCCN(C)Cc1ccccn1 269982a_100000207498_100000740836 [0,2,0,0,0,0|2,0,0]=4 35025 B14R1.158 COCCCN(C)Cc1ccccn1 269982a_100000224831_100000721315 [0,2,0,0,0,0|2,0,0]=4 35026 B14R1.158 COCCCN(C)Cc1ccccn1 270004a_100000224831_100000209966 [0,2,0,0,0,0|2,0,0]=4 35027 B14R1.158 COCCCN(C)Cc1cccnc1 2230a_100000184577_100000740836 [0,2,0,0,0,0|2,0,0]=4 35028 B14R1.158 COCCCN(C)Cc1cccnc1 2230a_100000224831_100000741622 [0,2,0,0,0,0|2,0,0]=4 35029 B14R1.158 COCCCN(C)Cc1cccnc1 269982a_100000184577_100000740836 [0,2,0,0,0,0|2,0,0]=4 35030 B14R1.158 COCCCN(C)Cc1cccnc1 269982a_100000224831_100000733263 [0,2,0,0,0,0|2,0,0]=4 35031 B14R1.158 COCCCN(C)Cc1cccnc1 270004a_100000224831_100000209961 [0,2,0,0,0,0|2,0,0]=4 35032 B14R1.158 COCCCN(C)Cc1ccncc1 2230a_100000187231_100000740836 [0,2,0,0,0,0|2,0,0]=4 35033 B14R1.158 COCCCN(C)Cc1ccncc1 2230a_100000200584_200000210301 [0,2,0,0,0,0|2,0,0]=4 35034 B14R1.158 COCCCN(C)Cc1ccncc1 2230a_100000224831_100015193705 [0,2,0,0,0,0|2,0,0]=4 35035 B14R1.158 COCCCN(C)Cc1ccncc1 269982a_100000187231_100000740836 [0,2,0,0,0,0|2,0,0]=4 35036 B14R1.158 COCCCN(C)Cc1ccncc1 269982a_100000200584_200000210301 [0,2,0,0,0,0|2,0,0]=4 35037 B14R1.158 COCCCN(C)Cc1ccncc1 269982a_100000224831_100015193705 [0,2,0,0,0,0|2,0,0]=4 35038 B14R1.158 COCCCN([13CH3])Cc1ccccc1 2230a_100000707625_200025704644 [0,2,0,0,0,0|1,0,0]=3 35039 B14R1.158 COCCCN([13CH3])Cc1ccccc1 269982a_100000707625_200025704644 [0,2,0,0,0,0|1,0,0]=3 35040 B14R1.158 COCCCN([13CH3])Cc1ccncc1 2230a_100000200584_200025704644 [0,2,0,0,0,0|2,0,0]=4 35041 B14R1.158 COCCCN([13CH3])Cc1ccncc1 269982a_100000200584_200025704644 [0,2,0,0,0,0|2,0,0]=4 35042 B14R1.158 COCCNC(C)C[n+]1ccccc1 270004a_100000209980_100000034229 [0,2,0,0,0,0|2,0,0]=4 35043 B14R1.158 COCCNC(C)Cc1ccccn1 2230a_100000238496_100011201679 [0,2,0,0,0,0|2,0,0]=4 35044 B14R1.158 COCCNC(C)Cc1cccnc1 2230a_100011207255_100011201679 [0,2,0,0,0,0|2,0,0]=4 35045 B14R1.158 COCCNC(C)Cc1cccnc1 270004a_100000209980_100015187140 [0,2,0,0,0,0|2,0,0]=4 35046 B14R1.158 COCCNC(C)Cc1ccncc1 270004a_100000209980_100000238508 [0,2,0,0,0,0|2,0,0]=4 35047 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000210237_200011218536 [0,2,0,0,0,0|1,0,0]=3 35048 B14R1.158 COCCOC(C)Cc1ccccc1 34a_100000748627_100011201679 [0,2,0,0,0,0|1,0,0]=3 35049 B14R1.158 COCCOC(C)Cc1ccccc1 7a_100000748627_100000233755 [0,2,0,0,0,0|1,0,0]=3 35050 B14R1.158 COCCSC(C)Cc1ccccc1 62a_100000233755_200011218536 [0,2,0,0,0,0|1,0,0]=3 35051 B14R1.158 COCCSC(C)Cc1ccccc1 62a_200011218536_100000233755 [0,2,0,0,0,0|1,0,0]=3 35052 B14R1.158 COCNCC(C)Oc1ccccc1 2230a_100000755676_100000766300 [0,2,0,0,0,0|2,0,0]=4 35053 B14R1.158 COCNCC(O)Cc1ccccc1 2230a_100000752270_100000766300 [0,2,0,0,0,0|1,0,0]=3 35054 B14R1.158 COCSCC(=O)Cc1ccccc1 62a_100000233483_100000766300 [0,2,0,0,0,0|1,0,1]=4 35055 B14R1.158 COCSCC(=O)Cc1ccccc1 62a_100000766300_100000233483 [0,2,0,0,0,0|1,0,1]=4 35056 B14R1.158 COCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000766300 [0,2,0,0,0,0|1,0,0]=3 35057 B14R1.158 COCSC[C@@H](O)Cc1ccccc1 62a_100000766300_100000729385 [0,2,0,0,0,0|1,0,0]=3 35058 B14R1.158 CSCCCC(=O)Cc1ccccc1 1458a_100000173376_100015291786 [0,2,0,0,0,0|0,1,1]=4 35059 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000230434_200011218536 [0,2,0,0,0,0|1,1,0]=4 35060 B14R1.158 CSCCOC(C)Cc1ccccc1 34a_100000748627_100000212216 [0,2,0,0,0,0|1,1,0]=4 35061 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000230434_200011218536 [0,2,0,0,0,0|1,1,0]=4 35062 B14R1.158 CSCCOC(C)Cc1ccccc1 7a_100000748627_100000212216 [0,2,0,0,0,0|1,1,0]=4 35063 B14R1.158 CSCCSC(C)Cc1ccccc1 62a_100000212216_200011218536 [0,2,0,0,0,0|1,1,0]=4 35064 B14R1.158 CSCCSC(C)Cc1ccccc1 62a_200011218536_100000751147 [0,2,0,0,0,0|1,1,0]=4 35065 B14R1.158 CSCNCC(O)Cc1ccccc1 2230a_100000752270_100011218213 [0,2,0,0,0,0|1,1,0]=4 35066 B14R1.158 CSCOCC(C)Cc1ccccc1 34a_100012125295_100011218213 [0,2,0,0,0,0|1,1,0]=4 35067 B14R1.158 CSCOCC(N)Cc1ccccc1 34a_100000739027_100011218213 [0,2,0,0,0,0|1,1,0]=4 35068 B14R1.158 CSCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011218213 [0,2,0,0,0,0|1,1,0]=4 35069 B14R1.158 CSCSC[C@@H](O)Cc1ccccc1 62a_100011218213_100000729385 [0,2,0,0,0,0|1,1,0]=4 35070 B14R1.158 N#CCCCC(=O)Cc1ccccc1 1458a_100000075515_100015291786 [0,2,0,0,0,0|1,0,1]=4 35071 B14R1.158 N#CCNCC(O)Cc1ccccc1 2230a_100000752270_100011215382 [0,2,0,0,0,0|1,0,1]=4 35072 B14R1.158 N#CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011215382 [0,2,0,0,0,0|1,0,1]=4 35073 B14R1.158 N#CCSC[C@@H](O)Cc1ccccc1 62a_100011215382_100000729385 [0,2,0,0,0,0|1,0,1]=4 35074 B14R1.158 NC(COCC=O)Cc1ccccc1 34a_100000739027_200009817547 [0,2,0,0,0,0|0,0,2]=4 35075 B14R1.158 NC(COCCF)Cc1ccccc1 34a_100000739027_100011217306 [0,2,0,0,0,0|1,0,0]=3 35076 B14R1.158 NC(COCCO)Cc1ccccc1 34a_100000739027_100000211926 [0,2,0,0,0,0|0,0,0]=2 35077 B14R1.158 NCCOC[C@@H](O)Cc1ccccc1 34a_100000210304_100000729385 [0,2,0,0,0,0|1,0,0]=3 35078 B14R1.158 O=C(CCCCF)C[n+]1ccccc1 1458a_200000086051_100000729493 [0,2,0,0,0,0|2,0,0]=4 35079 B14R1.158 O=C(CCCCF)Cc1ccccn1 1458a_100000233486_100000729493 [0,2,0,0,0,0|2,0,0]=4 35080 B14R1.158 O=C(CCCCF)Cc1cccnc1 1458a_100000737805_100000729493 [0,2,0,0,0,0|2,0,0]=4 35081 B14R1.158 O=C(CCCCO)C[n+]1ccccc1 1458a_200000086051_100000210776 [0,2,0,0,0,0|1,0,0]=3 35082 B14R1.158 O=C(CCCCO)Cc1ccccc1 1458a_100000695505_100015291786 [0,2,0,0,0,0|0,0,0]=2 35083 B14R1.158 O=C(CCCCO)Cc1ccccn1 1458a_100000233486_100000210776 [0,2,0,0,0,0|1,0,0]=3 35084 B14R1.158 O=C(CCCCO)Cc1ccccn1 1458a_100000695505_100000721315 [0,2,0,0,0,0|1,0,0]=3 35085 B14R1.158 O=C(CCCCO)Cc1cccnc1 1458a_100000695505_100000733263 [0,2,0,0,0,0|1,0,0]=3 35086 B14R1.158 O=C(CCCCO)Cc1cccnc1 1458a_100000737805_100000210776 [0,2,0,0,0,0|1,0,0]=3 35087 B14R1.158 O=C(CCCCO)Cc1cccnn1 1458a_100000695505_100016990269 [0,2,0,0,0,0|2,0,0]=4 35088 B14R1.158 O=C(CCCCO)Cc1ccncc1 1458a_100000695505_100000705612 [0,2,0,0,0,0|1,0,0]=3 35089 B14R1.158 O=C(CCCCO)Cc1cnccn1 1458a_100000695505_100016995436 [0,2,0,0,0,0|2,0,0]=4 35090 B14R1.158 O=C(CCCCO)Cc1cncnc1 1458a_100000695505_100015196519 [0,2,0,0,0,0|2,0,0]=4 35091 B14R1.158 O=C(CCCCO)Cc1cncnc1 1458a_100000721575_100000210776 [0,2,0,0,0,0|2,0,0]=4 35092 B14R1.158 O=C(CCCCO)Cc1ncccn1 1458a_100000695505_100000703007 [0,2,0,0,0,0|2,0,0]=4 35093 B14R1.158 O=C(CCCCO)Nc1ccccc1 1626a_100000106764_100000695505 [0,2,0,0,0,0|0,0,1]=3 35094 B14R1.158 O=C(CNCCO)Cc1ccccc1 2230a_100016997473_100000233483 [0,2,0,0,0,0|0,0,1]=3 35095 B14R1.158 O=C(CNCCO)Nc1ccccc1 2230a_100016997473_100000182850 [0,2,0,0,0,0|1,0,1]=4 35096 B14R1.158 O=C(CNCCO)Nc1ccccc1 34a_100016990907_100000182850 [0,2,0,0,0,0|1,0,1]=4 35097 B14R1.158 O=C(CNCCO)Oc1ccccc1 2230a_100016997473_100009813826 [0,2,0,0,0,0|1,0,1]=4 35098 B14R1.158 O=C(CNCCO)Oc1ccccc1 34a_100016990907_100009813826 [0,2,0,0,0,0|1,0,1]=4 35099 B14R1.158 O=C(COCCO)Cc1ccccc1 1458a_100000708028_100015291786 [0,2,0,0,0,0|0,0,1]=3 35100 B14R1.158 O=C(COCCO)Cc1ccccn1 1458a_100000708028_100000721315 [0,2,0,0,0,0|1,0,1]=4 35101 B14R1.158 O=C(COCCO)Cc1cccnc1 1458a_100000708028_100000733263 [0,2,0,0,0,0|1,0,1]=4 35102 B14R1.158 O=C(COCCO)Cc1ccncc1 1458a_100000708028_100000705612 [0,2,0,0,0,0|1,0,1]=4 35103 B14R1.158 O=C(COCCO)Nc1ccccc1 1626a_100000106764_100000708028 [0,2,0,0,0,0|1,0,1]=4 35104 B14R1.158 O=C(COCCO)Nc1ccccc1 34a_100000246334_100000211926 [0,2,0,0,0,0|1,0,1]=4 35105 B14R1.158 O=C(CSCCF)Cc1ccccc1 62a_100000233483_100011217306 [0,2,0,0,0,0|1,0,1]=4 35106 B14R1.158 O=C(CSCCF)Cc1ccccc1 62a_100011217306_100000233483 [0,2,0,0,0,0|1,0,1]=4 35107 B14R1.158 O=C(CSCCO)Cc1ccccc1 62a_100000211926_100000233483 [0,2,0,0,0,0|0,0,1]=3 35108 B14R1.158 O=C(CSCCO)Cc1ccccc1 62a_100000233483_100000211926 [0,2,0,0,0,0|0,0,1]=3 35109 B14R1.158 O=C(CSCCO)Nc1ccccc1 62a_100000211926_100000182850 [0,2,0,0,0,0|1,0,1]=4 35110 B14R1.158 O=C(CSCCO)Nc1ccccc1 62a_100012148978_100000211926 [0,2,0,0,0,0|1,0,1]=4 35111 B14R1.158 O=C(CSCCO)Oc1ccccc1 62a_100000211926_100009813826 [0,2,0,0,0,0|1,0,1]=4 35112 B14R1.158 O=C(CSCCO)Oc1ccccc1 62a_100009813826_100000211926 [0,2,0,0,0,0|1,0,1]=4 35113 B14R1.158 O=C(C[n+]1ccccc1)NCCCO 240690a_100000182051_200000086051 [0,2,0,0,0,0|1,0,1]=4 35114 B14R1.158 O=C(C[n+]1ccccc1)NCCCO 527a_100000182051_200000086051 [0,2,0,0,0,0|1,0,1]=4 35115 B14R1.158 O=C(Cc1cccnc1)NCCCO 240690a_100000182051_100000737805 [0,2,0,0,0,0|1,0,1]=4 35116 B14R1.158 O=C(Cc1cccnc1)NCCCO 527a_100000182051_100000737805 [0,2,0,0,0,0|1,0,1]=4 35117 B14R1.158 O=C(Cc1ccncc1)NCCCO 240690a_100000182051_100011201483 [0,2,0,0,0,0|1,0,1]=4 35118 B14R1.158 O=C(NCCCO)Nc1ccccc1 2430a_100000106764_100000182051 [0,2,0,0,0,0|1,0,1]=4 35119 B14R1.158 O=CCNCC(O)Cc1ccccc1 2230a_100000752270_200015260668 [0,2,0,0,0,0|0,0,2]=4 35120 B14R1.158 O=CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_200015260668 [0,2,0,0,0,0|0,0,2]=4 35121 B14R1.158 O=CCSC[C@@H](O)Cc1ccccc1 62a_200015260668_100000729385 [0,2,0,0,0,0|0,0,2]=4 35122 B14R1.158 OC(CNCCF)Cc1ccccc1 2230a_100000752270_100011217306 [0,2,0,0,0,0|1,0,0]=3 35123 B14R1.158 OCCNCC(O)Cc1ccccc1 2230a_100000752270_100000211926 [0,2,0,0,0,0|0,0,0]=2 35124 B14R1.158 OCCNC[C@@H](O)Cc1ccccc1 2230a_100016997473_100000729385 [0,2,0,0,0,0|0,0,0]=2 35125 B14R1.158 OCCNC[C@@H](O)Cc1ccccc1 34a_100016990907_100000729385 [0,2,0,0,0,0|0,0,0]=2 35126 B14R1.158 OCCSC[C@@H](O)Cc1ccccc1 62a_100000211926_100000729385 [0,2,0,0,0,0|0,0,0]=2 35127 B14R1.158 OCCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000211926 [0,2,0,0,0,0|0,0,0]=2 35128 B14R1.158 O[C@H](CNCCF)Cc1ccccc1 34a_100000724931_100000729385 [0,2,0,0,0,0|1,0,0]=3 35129 B14R1.158 O[C@H](COCCBr)Cc1ccccc1 34a_100000211926_100000729385 [0,2,0,0,0,0|1,0,0]=3 35130 B14R1.158 O[C@H](CSCCF)Cc1ccccc1 62a_100000729385_100011217306 [0,2,0,0,0,0|1,0,0]=3 35131 B14R1.158 O[C@H](CSCCF)Cc1ccccc1 62a_100011217306_100000729385 [0,2,0,0,0,0|1,0,0]=3 35132 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 2230a_100000186360_200025704644 [0,2,0,0,0,0|0,0,0]=2 35133 B14R1.158 [13CH3]N(CCCCO)Cc1ccccc1 269982a_100000186360_200025704644 [0,2,0,0,0,0|0,0,0]=2 35134 B14R1.422 C=C(Br)CCOCCc1ccccc1 34a_100009813270_100000765856 [0,2,0,0,0,0|1,0,1]=4 35135 B14R1.422 C=C(C)CCNCCc1ccccc1 2230a_100000106460_100000730704 [0,2,0,0,0,0|1,0,1]=4 35136 B14R1.422 C=C(C)CCNCCc1ccccc1 34a_100000106460_100000730704 [0,2,0,0,0,0|1,0,1]=4 35137 B14R1.422 C=C(C)CCOCCc1ccccc1 34a_100000210268_100000730704 [0,2,0,0,0,0|1,0,1]=4 35138 B14R1.422 C=C(C)CCOCCc1ccccc1 34a_100000764851_100000765856 [0,2,0,0,0,0|1,0,1]=4 35139 B14R1.422 C=C(C)CCOCCc1ccccc1 7a_100000210268_100000730704 [0,2,0,0,0,0|1,0,1]=4 35140 B14R1.422 C=C(C)CCSCCc1ccccc1 62a_100000730704_100011218657 [0,2,0,0,0,0|1,0,1]=4 35141 B14R1.422 C=C(C)CCSCCc1ccccc1 62a_100000765856_100000730704 [0,2,0,0,0,0|1,0,1]=4 35142 B14R1.422 C=C(C)CNCCCc1ccccc1 2230a_100000211184_100000748629 [0,2,0,0,0,0|1,0,1]=4 35143 B14R1.422 C=C(C)CNCCCc1ccccc1 34a_100000211184_100000748629 [0,2,0,0,0,0|1,0,1]=4 35144 B14R1.422 C=C(C)COCCCc1ccccc1 34a_100000210245_100000211621 [0,2,0,0,0,0|1,0,1]=4 35145 B14R1.422 C=C(C)COCCCc1ccccc1 34a_100000210828_100000748629 [0,2,0,0,0,0|1,0,1]=4 35146 B14R1.422 C=C(C)COCCCc1ccccc1 7a_100000210828_100000748629 [0,2,0,0,0,0|1,0,1]=4 35147 B14R1.422 C=C(C)CSCCCc1ccccc1 62a_100000211621_100000211660 [0,2,0,0,0,0|1,0,1]=4 35148 B14R1.422 C=C(C)CSCCCc1ccccc1 62a_100000748629_100000211621 [0,2,0,0,0,0|1,0,1]=4 35149 B14R1.422 C=C(F)CNCCCc1ccccc1 2230a_100000211184_100009893438 [0,2,0,0,0,0|1,0,1]=4 35150 B14R1.422 C=C(F)CNCCCc1ccccc1 34a_100000211184_100009893438 [0,2,0,0,0,0|1,0,1]=4 35151 B14R1.422 C=C(F)COCCCc1ccccc1 34a_100000210828_100009893438 [0,2,0,0,0,0|1,0,1]=4 35152 B14R1.422 C=C(F)COCCCc1ccccc1 34a_200010262243_100000211621 [0,2,0,0,0,0|1,0,1]=4 35153 B14R1.422 C=C(F)COCCCc1ccccc1 7a_100000210828_100000042424 [0,2,0,0,0,0|1,0,1]=4 35154 B14R1.422 C=C(F)CSCCCc1ccccc1 62a_100000042424_100000211621 [0,2,0,0,0,0|1,0,1]=4 35155 B14R1.422 C=C(F)CSCCCc1ccccc1 62a_100000211621_100000042424 [0,2,0,0,0,0|1,0,1]=4 35156 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100000070787_200011217138 [0,2,0,0,0,0|0,0,1]=3 35157 B14R1.422 CC(=O)CCCCCc1ccccc1 1458a_100011216832_200000210301 [0,2,0,0,0,0|0,0,1]=3 35158 B14R1.422 CC(=O)CCCCNc1ccccc1 34a_100000106764_100009817362 [0,2,0,0,0,0|0,0,2]=4 35159 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_100000070787_100011215240 [0,2,0,0,0,0|0,0,2]=4 35160 B14R1.422 CC(=O)CCCCOc1ccccc1 1458a_200011216290_200000210301 [0,2,0,0,0,0|0,0,2]=4 35161 B14R1.422 CC(=O)CCCCOc1ccccc1 34a_100000210340_100009817362 [0,2,0,0,0,0|0,0,2]=4 35162 B14R1.422 CC(=O)CCCCOc1ccccc1 7a_100000210340_100000735457 [0,2,0,0,0,0|0,0,2]=4 35163 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000719477_100000735457 [0,2,0,0,0,0|0,0,2]=4 35164 B14R1.422 CC(=O)CCCCSc1ccccc1 62a_100000735457_100000041952 [0,2,0,0,0,0|0,0,2]=4 35165 B14R1.422 CC(=O)CCCNCc1ccccc1 34a_100015324214_100000685027 [0,2,0,0,0,0|0,0,2]=4 35166 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000070787_100011215529 [0,2,0,0,0,0|0,0,2]=4 35167 B14R1.422 CC(=O)CCCOCc1ccccc1 1458a_100000748059_200000210301 [0,2,0,0,0,0|0,0,2]=4 35168 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000210790_100000685027 [0,2,0,0,0,0|0,0,2]=4 35169 B14R1.422 CC(=O)CCCOCc1ccccc1 34a_100000759063_100015291786 [0,2,0,0,0,0|0,0,2]=4 35170 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000210790_100011215641 [0,2,0,0,0,0|0,0,2]=4 35171 B14R1.422 CC(=O)CCCOCc1ccccc1 7a_100000759063_100000211182 [0,2,0,0,0,0|0,0,2]=4 35172 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100000211182_100011215641 [0,2,0,0,0,0|0,0,2]=4 35173 B14R1.422 CC(=O)CCCSCc1ccccc1 62a_100011215641_100015291786 [0,2,0,0,0,0|0,0,2]=4 35174 B14R1.422 CC(=O)CCOCCc1ccccc1 34a_100000759926_100000765856 [0,2,0,0,0,0|0,0,2]=4 35175 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000210268_100000053229 [0,2,0,0,0,0|0,0,2]=4 35176 B14R1.422 CC(=O)CCOCCc1ccccc1 7a_100000759926_100000765856 [0,2,0,0,0,0|0,0,2]=4 35177 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000053229_100011218657 [0,2,0,0,0,0|0,0,2]=4 35178 B14R1.422 CC(=O)CCSCCc1ccccc1 62a_100000765856_100000053229 [0,2,0,0,0,0|0,0,2]=4 35179 B14R1.422 CC(=O)COCCCc1ccccc1 34a_100000211253_100000211621 [0,2,0,0,0,0|0,0,2]=4 35180 B14R1.422 CC(=O)NCCCCc1ccccc1 11a_100015280158_100015343762 [0,2,0,0,0,0|0,0,2]=4 35181 B14R1.422 CC(=O)NCCCCc1ccccc1 1626a_100015280158_100015343762 [0,2,0,0,0,0|0,0,2]=4 35182 B14R1.422 CC(=O)NCCCCc1ccccc1 240690a_100015280158_100015343762 [0,2,0,0,0,0|0,0,2]=4 35183 B14R1.422 CC(=O)NCCCCc1ccccc1 527a_100015280158_100103153847 [0,2,0,0,0,0|0,0,2]=4 35184 B14R1.422 CC(Br)CCOCCc1ccccc1 34a_100009893172_100000765856 [0,2,0,0,0,0|1,0,0]=3 35185 B14R1.422 CC(Br)COCCCc1ccccc1 34a_100012180447_100000211621 [0,2,0,0,0,0|1,0,0]=3 35186 B14R1.422 CC(Br)COCCOc1ccccc1 34a_100012180447_100000184471 [0,2,0,0,0,0|2,0,0]=4 35187 B14R1.422 CC(Br)COCCSc1ccccc1 34a_100012180447_100000246102 [0,2,0,0,0,0|2,0,0]=4 35188 B14R1.422 CC(Br)COCOCc1ccccc1 34a_100012180447_100000763385 [0,2,0,0,0,0|2,0,0]=4 35189 B14R1.422 CC(Br)COCSCc1ccccc1 34a_100012180447_200011217039 [0,2,0,0,0,0|2,0,0]=4 35190 B14R1.422 CC(C)CCCCNc1ccccc1 34a_100000106764_100011216152 [0,2,0,0,0,0|1,0,0]=3 35191 B14R1.422 CC(C)CCCCOc1ccccc1 34a_100000210340_100011216152 [0,2,0,0,0,0|1,0,0]=3 35192 B14R1.422 CC(C)CCCCOc1ccccc1 7a_100000210340_100011216152 [0,2,0,0,0,0|1,0,0]=3 35193 B14R1.422 CC(C)CCCCOc1cccnc1 34a_100000210849_100011216152 [0,2,0,0,0,0|2,0,0]=4 35194 B14R1.422 CC(C)CCCCOc1cccnc1 7a_100000210849_100011216152 [0,2,0,0,0,0|2,0,0]=4 35195 B14R1.422 CC(C)CCCCOc1ccncc1 34a_100000212176_100011216152 [0,2,0,0,0,0|2,0,0]=4 35196 B14R1.422 CC(C)CCCCSc1ccccc1 62a_100000719477_100011216152 [0,2,0,0,0,0|1,0,0]=3 35197 B14R1.422 CC(C)CCCCSc1ccccc1 62a_100011216152_100000041952 [0,2,0,0,0,0|1,0,0]=3 35198 B14R1.422 CC(C)CCCCSc1ccccn1 62a_100011216152_100011216584 [0,2,0,0,0,0|2,0,0]=4 35199 B14R1.422 CC(C)CCCCSc1ccccn1 62a_100011216584_100011216152 [0,2,0,0,0,0|2,0,0]=4 35200 B14R1.422 CC(C)CCCCSc1cccnc1 62a_100000210063_100011216152 [0,2,0,0,0,0|2,0,0]=4 35201 B14R1.422 CC(C)CCCCSc1cccnc1 62a_100011216152_100000210063 [0,2,0,0,0,0|2,0,0]=4 35202 B14R1.422 CC(C)CCCCSc1ccncc1 62a_100000728582_100011216152 [0,2,0,0,0,0|2,0,0]=4 35203 B14R1.422 CC(C)CCCCSc1ccncc1 62a_100011216152_100000728582 [0,2,0,0,0,0|2,0,0]=4 35204 B14R1.422 CC(C)CCCNCc1ccccc1 207a_200000737386_100015611070 [0,2,0,0,0,0|1,0,0]=3 35205 B14R1.422 CC(C)CCCNCc1ccccc1 2230a_100015324214_100011214892 [0,2,0,0,0,0|1,0,0]=3 35206 B14R1.422 CC(C)CCCNCc1ccccc1 2230a_200000737386_100015291786 [0,2,0,0,0,0|1,0,0]=3 35207 B14R1.422 CC(C)CCCNCc1ccccc1 270004a_200000737386_100015611070 [0,2,0,0,0,0|1,0,0]=3 35208 B14R1.422 CC(C)CCCNCc1ccccc1 34a_100015324214_100011214892 [0,2,0,0,0,0|1,0,0]=3 35209 B14R1.422 CC(C)CCCNCc1ccccc1 34a_200000737386_100015291786 [0,2,0,0,0,0|1,0,0]=3 35210 B14R1.422 CC(C)CCCNCc1ccccn1 207a_200000737386_100000209966 [0,2,0,0,0,0|2,0,0]=4 35211 B14R1.422 CC(C)CCCNCc1ccccn1 2230a_200000737386_100000721315 [0,2,0,0,0,0|2,0,0]=4 35212 B14R1.422 CC(C)CCCNCc1ccccn1 270004a_200000737386_100000209966 [0,2,0,0,0,0|2,0,0]=4 35213 B14R1.422 CC(C)CCCNCc1ccccn1 34a_200000737386_100000721315 [0,2,0,0,0,0|2,0,0]=4 35214 B14R1.422 CC(C)CCCNCc1cccnc1 207a_200000737386_100000209961 [0,2,0,0,0,0|2,0,0]=4 35215 B14R1.422 CC(C)CCCNCc1cccnc1 2230a_200000737386_100000741622 [0,2,0,0,0,0|2,0,0]=4 35216 B14R1.422 CC(C)CCCNCc1cccnc1 270004a_200000737386_100000209961 [0,2,0,0,0,0|2,0,0]=4 35217 B14R1.422 CC(C)CCCNCc1cccnc1 34a_200000737386_100000733263 [0,2,0,0,0,0|2,0,0]=4 35218 B14R1.422 CC(C)CCCNCc1ccncc1 207a_200000737386_100000186114 [0,2,0,0,0,0|2,0,0]=4 35219 B14R1.422 CC(C)CCCNCc1ccncc1 2230a_200000737386_100015193705 [0,2,0,0,0,0|2,0,0]=4 35220 B14R1.422 CC(C)CCCOCc1ccccc1 34a_100000210774_100015291786 [0,2,0,0,0,0|1,0,0]=3 35221 B14R1.422 CC(C)CCCOCc1ccccc1 34a_100000210790_100011214892 [0,2,0,0,0,0|1,0,0]=3 35222 B14R1.422 CC(C)CCCOCc1ccccc1 7a_100000210774_100000211182 [0,2,0,0,0,0|1,0,0]=3 35223 B14R1.422 CC(C)CCCOCc1ccccc1 7a_100000210790_100011214892 [0,2,0,0,0,0|1,0,0]=3 35224 B14R1.422 CC(C)CCCOCc1ccccn1 34a_100000210774_100000721315 [0,2,0,0,0,0|2,0,0]=4 35225 B14R1.422 CC(C)CCCOCc1ccccn1 7a_100000210774_100000721315 [0,2,0,0,0,0|2,0,0]=4 35226 B14R1.422 CC(C)CCCOCc1cccnc1 34a_100000210774_100000733263 [0,2,0,0,0,0|2,0,0]=4 35227 B14R1.422 CC(C)CCCOCc1cccnc1 7a_100000210774_100000741622 [0,2,0,0,0,0|2,0,0]=4 35228 B14R1.422 CC(C)CCCOCc1ccncc1 7a_100000210774_100015193705 [0,2,0,0,0,0|2,0,0]=4 35229 B14R1.422 CC(C)CCCSCc1ccccc1 62a_100000211182_100011214892 [0,2,0,0,0,0|1,0,0]=3 35230 B14R1.422 CC(C)CCCSCc1ccccc1 62a_100011214892_100015291786 [0,2,0,0,0,0|1,0,0]=3 35231 B14R1.422 CC(C)CCCSCc1ccccn1 62a_100000721315_100011214892 [0,2,0,0,0,0|2,0,0]=4 35232 B14R1.422 CC(C)CCCSCc1ccccn1 62a_100011214892_100000721315 [0,2,0,0,0,0|2,0,0]=4 35233 B14R1.422 CC(C)CCCSCc1cccnc1 62a_100000741622_100011214892 [0,2,0,0,0,0|2,0,0]=4 35234 B14R1.422 CC(C)CCCSCc1cccnc1 62a_100011214892_100000741622 [0,2,0,0,0,0|2,0,0]=4 35235 B14R1.422 CC(C)CCCSCc1ccncc1 62a_100011214892_100015193705 [0,2,0,0,0,0|2,0,0]=4 35236 B14R1.422 CC(C)CCCSCc1ccncc1 62a_100015193705_100011214892 [0,2,0,0,0,0|2,0,0]=4 35237 B14R1.422 CC(C)CCNCCc1ccccc1 2230a_100000106460_100000210312 [0,2,0,0,0,0|1,0,0]=3 35238 B14R1.422 CC(C)CCNCCc1ccccc1 269862a_100000106460_100000185833 [0,2,0,0,0,0|1,0,0]=3 35239 B14R1.422 CC(C)CCNCCc1ccccc1 34a_100000106460_100000210312 [0,2,0,0,0,0|1,0,0]=3 35240 B14R1.422 CC(C)CCNCCc1ccccn1 269862a_100000211156_100000185833 [0,2,0,0,0,0|2,0,0]=4 35241 B14R1.422 CC(C)CCNCCc1cccnc1 2230a_100000736294_100000210312 [0,2,0,0,0,0|2,0,0]=4 35242 B14R1.422 CC(C)CCNCCc1cccnc1 269862a_100000736294_100000185833 [0,2,0,0,0,0|2,0,0]=4 35243 B14R1.422 CC(C)CCNCCc1ccncc1 269862a_100000742849_100000185833 [0,2,0,0,0,0|2,0,0]=4 35244 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210254_100000765856 [0,2,0,0,0,0|1,0,0]=3 35245 B14R1.422 CC(C)CCOCCc1ccccc1 34a_100000210268_100000210312 [0,2,0,0,0,0|1,0,0]=3 35246 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210254_100000765856 [0,2,0,0,0,0|1,0,0]=3 35247 B14R1.422 CC(C)CCOCCc1ccccc1 7a_100000210268_100000210626 [0,2,0,0,0,0|1,0,0]=3 35248 B14R1.422 CC(C)CCOCCc1ccccn1 34a_100000210271_100000210312 [0,2,0,0,0,0|2,0,0]=4 35249 B14R1.422 CC(C)CCOCCc1ccccn1 7a_100000210254_100015183660 [0,2,0,0,0,0|2,0,0]=4 35250 B14R1.422 CC(C)CCOCCc1cccnc1 34a_100011217484_100000210312 [0,2,0,0,0,0|2,0,0]=4 35251 B14R1.422 CC(C)CCOCCc1cccnc1 7a_100000210254_200011713674 [0,2,0,0,0,0|2,0,0]=4 35252 B14R1.422 CC(C)CCOCCc1ccncc1 34a_100011216225_100000210312 [0,2,0,0,0,0|2,0,0]=4 35253 B14R1.422 CC(C)CCOCCc1ccncc1 7a_100000210254_100000723409 [0,2,0,0,0,0|2,0,0]=4 35254 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000210312_100011218657 [0,2,0,0,0,0|1,0,0]=3 35255 B14R1.422 CC(C)CCSCCc1ccccc1 62a_100000765856_100000210312 [0,2,0,0,0,0|1,0,0]=3 35256 B14R1.422 CC(C)CCSCCc1ccccn1 62a_100000210312_100015183660 [0,2,0,0,0,0|2,0,0]=4 35257 B14R1.422 CC(C)CCSCCc1ccccn1 62a_100015183660_100000210312 [0,2,0,0,0,0|2,0,0]=4 35258 B14R1.422 CC(C)CCSCCc1cccnc1 62a_100000210312_200011713674 [0,2,0,0,0,0|2,0,0]=4 35259 B14R1.422 CC(C)CCSCCc1cccnc1 62a_200011713674_100000210312 [0,2,0,0,0,0|2,0,0]=4 35260 B14R1.422 CC(C)CCSCCc1ccncc1 62a_100000210312_100000723409 [0,2,0,0,0,0|2,0,0]=4 35261 B14R1.422 CC(C)CCSCCc1ccncc1 62a_100000723409_100000210312 [0,2,0,0,0,0|2,0,0]=4 35262 B14R1.422 CC(C)CCSCSc1ccccc1 62a_100000210312_100011218342 [0,2,0,0,0,0|2,0,0]=4 35263 B14R1.422 CC(C)CCSCSc1ccccc1 62a_100011218342_100000210312 [0,2,0,0,0,0|2,0,0]=4 35264 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000210953_100000211621 [0,2,0,0,0,0|1,0,0]=3 35265 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000211184_100000210760 [0,2,0,0,0,0|1,0,0]=3 35266 B14R1.422 CC(C)CNCCCc1ccccc1 270004a_100000211184_100000210432 [0,2,0,0,0,0|1,0,0]=3 35267 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000210953_100000211621 [0,2,0,0,0,0|1,0,0]=3 35268 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000211184_100000210624 [0,2,0,0,0,0|1,0,0]=3 35269 B14R1.422 CC(C)CNCCCc1ccccn1 270004a_100000689020_100000210432 [0,2,0,0,0,0|2,0,0]=4 35270 B14R1.422 CC(C)CNCCCc1cccnc1 2230a_100011532358_100000210760 [0,2,0,0,0,0|2,0,0]=4 35271 B14R1.422 CC(C)CNCCCc1cccnc1 270004a_100011532358_100000210432 [0,2,0,0,0,0|2,0,0]=4 35272 B14R1.422 CC(C)CNCCCc1cccnc1 34a_100011532358_100000210624 [0,2,0,0,0,0|2,0,0]=4 35273 B14R1.422 CC(C)CNCCCc1ccncc1 2230a_100011275580_100000210760 [0,2,0,0,0,0|2,0,0]=4 35274 B14R1.422 CC(C)CNCCCc1ccncc1 270004a_100011275580_100000210432 [0,2,0,0,0,0|2,0,0]=4 35275 B14R1.422 CC(C)CNCCOc1ccccc1 2230a_100000174943_100000210760 [0,2,0,0,0,0|2,0,0]=4 35276 B14R1.422 CC(C)CNCCOc1ccccc1 2230a_100000210953_100000184471 [0,2,0,0,0,0|2,0,0]=4 35277 B14R1.422 CC(C)CNCCOc1ccccc1 270004a_100000174943_100000210432 [0,2,0,0,0,0|2,0,0]=4 35278 B14R1.422 CC(C)CNCCOc1ccccc1 270004a_100000210953_100000758736 [0,2,0,0,0,0|2,0,0]=4 35279 B14R1.422 CC(C)CNCCOc1ccccc1 34a_100000174943_100000210624 [0,2,0,0,0,0|2,0,0]=4 35280 B14R1.422 CC(C)CNCCOc1ccccc1 34a_100000210953_100000184471 [0,2,0,0,0,0|2,0,0]=4 35281 B14R1.422 CC(C)CNCCSc1ccccc1 2230a_100000189519_100000210760 [0,2,0,0,0,0|2,0,0]=4 35282 B14R1.422 CC(C)CNCCSc1ccccc1 2230a_100000210953_100000246102 [0,2,0,0,0,0|2,0,0]=4 35283 B14R1.422 CC(C)CNCCSc1ccccc1 270004a_100000189519_100000210432 [0,2,0,0,0,0|2,0,0]=4 35284 B14R1.422 CC(C)CNCCSc1ccccc1 34a_100000210953_100000246102 [0,2,0,0,0,0|2,0,0]=4 35285 B14R1.422 CC(C)CNCOCc1ccccc1 2230a_100000210953_100000763385 [0,2,0,0,0,0|2,0,0]=4 35286 B14R1.422 CC(C)CNCOCc1ccccc1 34a_100000210953_100000763385 [0,2,0,0,0,0|2,0,0]=4 35287 B14R1.422 CC(C)CNCSCc1ccccc1 2230a_100000210953_200011217039 [0,2,0,0,0,0|2,0,0]=4 35288 B14R1.422 CC(C)CNCSCc1ccccc1 34a_100000210953_200011217039 [0,2,0,0,0,0|2,0,0]=4 35289 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210257_100000211621 [0,2,0,0,0,0|1,0,0]=3 35290 B14R1.422 CC(C)COCCCc1ccccc1 34a_100000210828_100000210624 [0,2,0,0,0,0|1,0,0]=3 35291 B14R1.422 CC(C)COCCCc1ccccc1 7a_100000210828_100000210760 [0,2,0,0,0,0|1,0,0]=3 35292 B14R1.422 CC(C)COCCCc1ccccn1 34a_100011215068_100000210624 [0,2,0,0,0,0|2,0,0]=4 35293 B14R1.422 CC(C)COCCCc1cccnc1 34a_100000211284_100000210624 [0,2,0,0,0,0|2,0,0]=4 35294 B14R1.422 CC(C)COCCCc1ccncc1 34a_100000210659_100000210624 [0,2,0,0,0,0|2,0,0]=4 35295 B14R1.422 CC(C)COCCNc1ccccc1 34a_100000211345_100000210624 [0,2,0,0,0,0|2,0,0]=4 35296 B14R1.422 CC(C)COCCOc1ccccc1 34a_100000210257_100000184471 [0,2,0,0,0,0|2,0,0]=4 35297 B14R1.422 CC(C)COCCOc1ccccc1 34a_100000210260_100000210624 [0,2,0,0,0,0|2,0,0]=4 35298 B14R1.422 CC(C)COCCOc1ccccc1 7a_100000210260_100000210760 [0,2,0,0,0,0|2,0,0]=4 35299 B14R1.422 CC(C)COCCSc1ccccc1 34a_100000210257_100000246102 [0,2,0,0,0,0|2,0,0]=4 35300 B14R1.422 CC(C)COCCSc1ccccc1 7a_100000230494_100000210760 [0,2,0,0,0,0|2,0,0]=4 35301 B14R1.422 CC(C)COCOCc1ccccc1 34a_100000210257_100000763385 [0,2,0,0,0,0|2,0,0]=4 35302 B14R1.422 CC(C)COCSCc1ccccc1 34a_100000210257_200011217039 [0,2,0,0,0,0|2,0,0]=4 35303 B14R1.422 CC(C)CSCCCc1ccccc1 62a_100000210624_100000211621 [0,2,0,0,0,0|1,0,0]=3 35304 B14R1.422 CC(C)CSCCCc1ccccc1 62a_100000211621_100000210760 [0,2,0,0,0,0|1,0,0]=3 35305 B14R1.422 CC(C)CSCCOc1ccccc1 62a_100000184471_100000210760 [0,2,0,0,0,0|2,0,0]=4 35306 B14R1.422 CC(C)CSCCOc1ccccc1 62a_100000210624_100000184471 [0,2,0,0,0,0|2,0,0]=4 35307 B14R1.422 CC(C)CSCCSc1ccccc1 62a_100000210624_100000246102 [0,2,0,0,0,0|2,0,0]=4 35308 B14R1.422 CC(C)CSCCSc1ccccc1 62a_100000246102_100000210760 [0,2,0,0,0,0|2,0,0]=4 35309 B14R1.422 CC(C)CSCOCc1ccccc1 62a_100000210624_100000763385 [0,2,0,0,0,0|2,0,0]=4 35310 B14R1.422 CC(C)CSCOCc1ccccc1 62a_100000763385_100000210760 [0,2,0,0,0,0|2,0,0]=4 35311 B14R1.422 CC(C)CSCSCc1ccccc1 62a_100000210624_200011217039 [0,2,0,0,0,0|2,0,0]=4 35312 B14R1.422 CC(C)CSCSCc1ccccc1 62a_200011217039_100000210760 [0,2,0,0,0,0|2,0,0]=4 35313 B14R1.422 CC(C)NCCCCc1ccccc1 2230a_100015280158_100000210206 [0,2,0,0,0,0|1,0,0]=3 35314 B14R1.422 CC(C)NCCCCc1ccccc1 2230a_100138425928_100000701786 [0,2,0,0,0,0|1,0,0]=3 35315 B14R1.422 CC(C)NCCCCc1ccccc1 34a_100015280158_100000210206 [0,2,0,0,0,0|1,0,0]=3 35316 B14R1.422 CC(C)NCCCCc1ccccc1 34a_100138425928_100000701786 [0,2,0,0,0,0|1,0,0]=3 35317 B14R1.422 CC(C)NCCCCc1ccncc1 2230a_100138425928_100020630000 [0,2,0,0,0,0|2,0,0]=4 35318 B14R1.422 CC(C)NCCCOc1ccccc1 2230a_100000216521_100000210206 [0,2,0,0,0,0|2,0,0]=4 35319 B14R1.422 CC(C)NCCCOc1ccccc1 2230a_100138425928_100000199009 [0,2,0,0,0,0|2,0,0]=4 35320 B14R1.422 CC(C)NCCCOc1ccccc1 34a_100000216521_100000210206 [0,2,0,0,0,0|2,0,0]=4 35321 B14R1.422 CC(C)NCCCOc1ccccc1 34a_100138425928_100000199009 [0,2,0,0,0,0|2,0,0]=4 35322 B14R1.422 CC(C)NCCCSc1ccccc1 2230a_100000184639_100000210206 [0,2,0,0,0,0|2,0,0]=4 35323 B14R1.422 CC(C)NCCCSc1ccccc1 2230a_100138425928_200011203293 [0,2,0,0,0,0|2,0,0]=4 35324 B14R1.422 CC(C)NCCCSc1ccccc1 34a_100138425928_200011203293 [0,2,0,0,0,0|2,0,0]=4 35325 B14R1.422 CC(C)NCCOCc1ccccc1 2230a_100000753106_100000210206 [0,2,0,0,0,0|2,0,0]=4 35326 B14R1.422 CC(C)NCCOCc1ccccc1 2230a_100138425928_100000234347 [0,2,0,0,0,0|2,0,0]=4 35327 B14R1.422 CC(C)NCCOCc1ccccc1 34a_100000224655_100015291786 [0,2,0,0,0,0|2,0,0]=4 35328 B14R1.422 CC(C)NCCOCc1ccccc1 34a_100000753106_100000210206 [0,2,0,0,0,0|2,0,0]=4 35329 B14R1.422 CC(C)NCCOCc1ccccc1 34a_100138425928_100000234347 [0,2,0,0,0,0|2,0,0]=4 35330 B14R1.422 CC(C)NCCSCc1ccccc1 2230a_100000189534_100000210206 [0,2,0,0,0,0|2,0,0]=4 35331 B14R1.422 CC(C)NCCSCc1ccccc1 2230a_100138425928_200011297719 [0,2,0,0,0,0|2,0,0]=4 35332 B14R1.422 CC(C)NCCSCc1ccccc1 34a_100000189534_100000210206 [0,2,0,0,0,0|2,0,0]=4 35333 B14R1.422 CC(C)NCCSCc1ccccc1 34a_100138425928_200011297719 [0,2,0,0,0,0|2,0,0]=4 35334 B14R1.422 CC(C)NCCSCc1ccccc1 7a_100000189534_100000210206 [0,2,0,0,0,0|2,0,0]=4 35335 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000212225_100000701786 [0,2,0,0,0,0|1,0,0]=3 35336 B14R1.422 CC(C)OCCCCc1ccccc1 34a_100000703073_100000210206 [0,2,0,0,0,0|1,0,0]=3 35337 B14R1.422 CC(C)OCCCCc1ccccc1 7a_100000703073_100000210206 [0,2,0,0,0,0|1,0,0]=3 35338 B14R1.422 CC(C)OCCCCc1ccccn1 34a_100012186994_100000210206 [0,2,0,0,0,0|2,0,0]=4 35339 B14R1.422 CC(C)OCCCCc1cccnc1 34a_100012039607_100000210206 [0,2,0,0,0,0|2,0,0]=4 35340 B14R1.422 CC(C)OCCCCc1cccnc1 7a_100012039607_100000210206 [0,2,0,0,0,0|2,0,0]=4 35341 B14R1.422 CC(C)OCCCCc1ccncc1 34a_100011787716_100000210206 [0,2,0,0,0,0|2,0,0]=4 35342 B14R1.422 CC(C)OCCCNc1ccccc1 34a_100000212590_100000210206 [0,2,0,0,0,0|2,0,0]=4 35343 B14R1.422 CC(C)OCCCOc1ccccc1 34a_100000212225_100000199009 [0,2,0,0,0,0|2,0,0]=4 35344 B14R1.422 CC(C)OCCCOc1ccccc1 34a_100011215863_100000210206 [0,2,0,0,0,0|2,0,0]=4 35345 B14R1.422 CC(C)OCCCOc1ccccc1 7a_100011215863_100000210206 [0,2,0,0,0,0|2,0,0]=4 35346 B14R1.422 CC(C)OCCCSc1ccccc1 34a_100000212225_200011203293 [0,2,0,0,0,0|2,0,0]=4 35347 B14R1.422 CC(C)OCCNCc1ccccc1 207a_100000701111_100015611070 [0,2,0,0,0,0|2,0,0]=4 35348 B14R1.422 CC(C)OCCNCc1ccccc1 2230a_100000701111_100015291786 [0,2,0,0,0,0|2,0,0]=4 35349 B14R1.422 CC(C)OCCNCc1ccccc1 2230a_100015324214_100000211751 [0,2,0,0,0,0|2,0,0]=4 35350 B14R1.422 CC(C)OCCNCc1ccccc1 270004a_100000701111_100015611070 [0,2,0,0,0,0|2,0,0]=4 35351 B14R1.422 CC(C)OCCNCc1ccccc1 34a_100000180844_100000210206 [0,2,0,0,0,0|2,0,0]=4 35352 B14R1.422 CC(C)OCCNCc1ccccc1 34a_100000701111_100015291786 [0,2,0,0,0,0|2,0,0]=4 35353 B14R1.422 CC(C)OCCNCc1ccccc1 34a_100015324214_100000211751 [0,2,0,0,0,0|2,0,0]=4 35354 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000210790_100000211751 [0,2,0,0,0,0|2,0,0]=4 35355 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000211219_100015291786 [0,2,0,0,0,0|2,0,0]=4 35356 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000212225_100000234347 [0,2,0,0,0,0|2,0,0]=4 35357 B14R1.422 CC(C)OCCOCc1ccccc1 34a_100000759325_100000210206 [0,2,0,0,0,0|2,0,0]=4 35358 B14R1.422 CC(C)OCCOCc1ccccc1 7a_100000210790_100000211751 [0,2,0,0,0,0|2,0,0]=4 35359 B14R1.422 CC(C)OCCOCc1ccccc1 7a_100000211219_100000211182 [0,2,0,0,0,0|2,0,0]=4 35360 B14R1.422 CC(C)OCCOCc1ccccc1 7a_100000759325_100000210206 [0,2,0,0,0,0|2,0,0]=4 35361 B14R1.422 CC(C)OCCSCc1ccccc1 34a_100000212225_200011297719 [0,2,0,0,0,0|2,0,0]=4 35362 B14R1.422 CC(C)OCCSCc1ccccc1 34a_100011205989_100000210206 [0,2,0,0,0,0|2,0,0]=4 35363 B14R1.422 CC(C)OCCSCc1ccccc1 62a_100000211182_100000211751 [0,2,0,0,0,0|2,0,0]=4 35364 B14R1.422 CC(C)OCCSCc1ccccc1 62a_100000211751_100015291786 [0,2,0,0,0,0|2,0,0]=4 35365 B14R1.422 CC(C)OCCSCc1ccccc1 7a_100011205989_100000210206 [0,2,0,0,0,0|2,0,0]=4 35366 B14R1.422 CC(C)OCNCCc1ccccc1 2230a_100000106460_100000709892 [0,2,0,0,0,0|2,0,0]=4 35367 B14R1.422 CC(C)OCNCCc1ccccc1 34a_100000106460_100000709892 [0,2,0,0,0,0|2,0,0]=4 35368 B14R1.422 CC(C)OCOCCc1ccccc1 34a_100000210268_100000709892 [0,2,0,0,0,0|2,0,0]=4 35369 B14R1.422 CC(C)OCSCCc1ccccc1 62a_100000709892_100011218657 [0,2,0,0,0,0|2,0,0]=4 35370 B14R1.422 CC(C)OCSCCc1ccccc1 62a_100000765856_100000709892 [0,2,0,0,0,0|2,0,0]=4 35371 B14R1.422 CC(C)SCCCCc1ccccc1 62a_100000210206_100000701786 [0,2,0,0,0,0|1,0,0]=3 35372 B14R1.422 CC(C)SCCCCc1ccccc1 62a_100000701786_100000210206 [0,2,0,0,0,0|1,0,0]=3 35373 B14R1.422 CC(C)SCCCCc1ccncc1 62a_100000210206_100020630000 [0,2,0,0,0,0|2,0,0]=4 35374 B14R1.422 CC(C)SCCCCc1ccncc1 62a_100020630000_100000210206 [0,2,0,0,0,0|2,0,0]=4 35375 B14R1.422 CC(C)SCCCOc1ccccc1 62a_100000199009_100000210206 [0,2,0,0,0,0|2,0,0]=4 35376 B14R1.422 CC(C)SCCCOc1ccccc1 62a_100000210206_100000199009 [0,2,0,0,0,0|2,0,0]=4 35377 B14R1.422 CC(C)SCCCSc1ccccc1 62a_100000210206_200011203293 [0,2,0,0,0,0|2,0,0]=4 35378 B14R1.422 CC(C)SCCCSc1ccccc1 62a_200011203293_100000210206 [0,2,0,0,0,0|2,0,0]=4 35379 B14R1.422 CC(C)SCCNCc1ccccc1 207a_100000731138_100015611070 [0,2,0,0,0,0|2,0,0]=4 35380 B14R1.422 CC(C)SCCNCc1ccccc1 2230a_100000731138_100015291786 [0,2,0,0,0,0|2,0,0]=4 35381 B14R1.422 CC(C)SCCNCc1ccccc1 2230a_100015324214_100000730970 [0,2,0,0,0,0|2,0,0]=4 35382 B14R1.422 CC(C)SCCNCc1ccccc1 270004a_100000731138_100015611070 [0,2,0,0,0,0|2,0,0]=4 35383 B14R1.422 CC(C)SCCNCc1ccccc1 34a_100000731138_100015291786 [0,2,0,0,0,0|2,0,0]=4 35384 B14R1.422 CC(C)SCCNCc1ccccc1 34a_100015324214_100000730970 [0,2,0,0,0,0|2,0,0]=4 35385 B14R1.422 CC(C)SCCOCc1ccccc1 34a_100000210790_100000730970 [0,2,0,0,0,0|2,0,0]=4 35386 B14R1.422 CC(C)SCCOCc1ccccc1 34a_200011212901_100015291786 [0,2,0,0,0,0|2,0,0]=4 35387 B14R1.422 CC(C)SCCOCc1ccccc1 62a_100000210206_100000234347 [0,2,0,0,0,0|2,0,0]=4 35388 B14R1.422 CC(C)SCCOCc1ccccc1 62a_100000234347_100000210206 [0,2,0,0,0,0|2,0,0]=4 35389 B14R1.422 CC(C)SCCOCc1ccccc1 7a_100000210790_100000730970 [0,2,0,0,0,0|2,0,0]=4 35390 B14R1.422 CC(C)SCCOCc1ccccc1 7a_200011212901_100000211182 [0,2,0,0,0,0|2,0,0]=4 35391 B14R1.422 CC(C)SCCSCc1ccccc1 62a_100000210206_200011297719 [0,2,0,0,0,0|2,0,0]=4 35392 B14R1.422 CC(C)SCCSCc1ccccc1 62a_100000211182_100000730970 [0,2,0,0,0,0|2,0,0]=4 35393 B14R1.422 CC(C)SCCSCc1ccccc1 62a_100000730970_100015291786 [0,2,0,0,0,0|2,0,0]=4 35394 B14R1.422 CC(C)SCCSCc1ccccc1 62a_200011297719_100000210206 [0,2,0,0,0,0|2,0,0]=4 35395 B14R1.422 CC(F)COCCCc1ccccc1 34a_100015925927_100000211621 [0,2,0,0,0,0|1,0,0]=3 35396 B14R1.422 CC(F)COCCOc1ccccc1 34a_100015925927_100000184471 [0,2,0,0,0,0|2,0,0]=4 35397 B14R1.422 CC(F)COCCSc1ccccc1 34a_100015925927_100000246102 [0,2,0,0,0,0|2,0,0]=4 35398 B14R1.422 CC(F)COCOCc1ccccc1 34a_100015925927_100000763385 [0,2,0,0,0,0|2,0,0]=4 35399 B14R1.422 CC(F)COCSCc1ccccc1 34a_100015925927_200011217039 [0,2,0,0,0,0|2,0,0]=4 35400 B14R1.422 CC(O)CCCNCc1ccccc1 2230a_100015324214_200000718107 [0,2,0,0,0,0|0,0,0]=2 35401 B14R1.422 CC(O)CCCNCc1ccccc1 34a_100015324214_200000718107 [0,2,0,0,0,0|0,0,0]=2 35402 B14R1.422 CC(O)CCCNCc1cccnn1 2230a_100159270163_200000718107 [0,2,0,0,0,0|2,0,0]=4 35403 B14R1.422 CC(O)CCCNCc1cncnc1 2230a_100011243677_200000718107 [0,2,0,0,0,0|2,0,0]=4 35404 B14R1.422 CC(O)CCCOCc1ccccc1 34a_100000210790_200000718107 [0,2,0,0,0,0|0,0,0]=2 35405 B14R1.422 CC(O)CCCOCc1ccccc1 7a_100000210790_200000718107 [0,2,0,0,0,0|0,0,0]=2 35406 B14R1.422 CC(O)CCCSCc1ccccc1 62a_100000211182_200000718107 [0,2,0,0,0,0|0,0,0]=2 35407 B14R1.422 CC(O)CCCSCc1ccccc1 62a_200000718107_100015291786 [0,2,0,0,0,0|0,0,0]=2 35408 B14R1.422 CC(O)CCCSCc1ccccn1 62a_100000721315_200000718107 [0,2,0,0,0,0|1,0,0]=3 35409 B14R1.422 CC(O)CCCSCc1ccccn1 62a_200000718107_100000721315 [0,2,0,0,0,0|1,0,0]=3 35410 B14R1.422 CC(O)CCCSCc1cccnc1 62a_100000741622_200000718107 [0,2,0,0,0,0|1,0,0]=3 35411 B14R1.422 CC(O)CCCSCc1cccnc1 62a_200000718107_100000741622 [0,2,0,0,0,0|1,0,0]=3 35412 B14R1.422 CC(O)CCCSCc1cccnn1 62a_100016990269_200000718107 [0,2,0,0,0,0|2,0,0]=4 35413 B14R1.422 CC(O)CCCSCc1cccnn1 62a_200000718107_100016990269 [0,2,0,0,0,0|2,0,0]=4 35414 B14R1.422 CC(O)CCCSCc1ccncc1 62a_100015193705_200000718107 [0,2,0,0,0,0|1,0,0]=3 35415 B14R1.422 CC(O)CCCSCc1ccncc1 62a_200000718107_100015193705 [0,2,0,0,0,0|1,0,0]=3 35416 B14R1.422 CC(O)CCCSCc1cnccn1 62a_100016995436_200000718107 [0,2,0,0,0,0|2,0,0]=4 35417 B14R1.422 CC(O)CCCSCc1cnccn1 62a_200000718107_100016995436 [0,2,0,0,0,0|2,0,0]=4 35418 B14R1.422 CC(O)CCCSCc1cncnc1 62a_100015196519_200000718107 [0,2,0,0,0,0|2,0,0]=4 35419 B14R1.422 CC(O)CCCSCc1cncnc1 62a_200000718107_100015196519 [0,2,0,0,0,0|2,0,0]=4 35420 B14R1.422 CC(O)CCCSCc1ncccn1 62a_100000703007_200000718107 [0,2,0,0,0,0|2,0,0]=4 35421 B14R1.422 CC(O)CCCSCc1ncccn1 62a_200000718107_100000703007 [0,2,0,0,0,0|2,0,0]=4 35422 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_100000106460_100012276601 [0,2,0,0,0,0|0,0,0]=2 35423 B14R1.422 CC(O)CCNCCc1ccccc1 2230a_200000755665_100000765856 [0,2,0,0,0,0|0,0,0]=2 35424 B14R1.422 CC(O)CCNCCc1ccccc1 34a_100000106460_100012276601 [0,2,0,0,0,0|0,0,0]=2 35425 B14R1.422 CC(O)CCNCCc1ccccn1 2230a_200000755665_100015183660 [0,2,0,0,0,0|1,0,0]=3 35426 B14R1.422 CC(O)CCNCCc1cccnc1 2230a_100000736294_100012276601 [0,2,0,0,0,0|1,0,0]=3 35427 B14R1.422 CC(O)CCNCCc1cccnc1 2230a_200000755665_200011713674 [0,2,0,0,0,0|1,0,0]=3 35428 B14R1.422 CC(O)CCNCCc1ccncc1 2230a_200000755665_100000723409 [0,2,0,0,0,0|1,0,0]=3 35429 B14R1.422 CC(O)CCNCSc1ccccc1 2230a_200000755665_100011218342 [0,2,0,0,0,0|1,0,0]=3 35430 B14R1.422 CC(O)CCOCCc1ccccc1 34a_100000210268_100012276601 [0,2,0,0,0,0|0,0,0]=2 35431 B14R1.422 CC(O)CCOCCc1ccccc1 7a_100000210268_100012276601 [0,2,0,0,0,0|0,0,0]=2 35432 B14R1.422 CC(O)CCOCCc1ccccn1 34a_100000210271_100012276601 [0,2,0,0,0,0|1,0,0]=3 35433 B14R1.422 CC(O)CCOCCc1cccnc1 34a_100011217484_100012276601 [0,2,0,0,0,0|1,0,0]=3 35434 B14R1.422 CC(O)CCOCCc1ccncc1 34a_100011216225_100012276601 [0,2,0,0,0,0|1,0,0]=3 35435 B14R1.422 CC(O)CCOCCc1cnccn1 34a_100011349526_100012276601 [0,2,0,0,0,0|2,0,0]=4 35436 B14R1.422 CC(O)CCOCCc1cncnc1 34a_100011709255_100012276601 [0,2,0,0,0,0|2,0,0]=4 35437 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100000765856_100012276601 [0,2,0,0,0,0|0,0,0]=2 35438 B14R1.422 CC(O)CCSCCc1ccccc1 62a_100012276601_100011218657 [0,2,0,0,0,0|0,0,0]=2 35439 B14R1.422 CC(O)CCSCCc1ccccn1 62a_100012276601_100015183660 [0,2,0,0,0,0|1,0,0]=3 35440 B14R1.422 CC(O)CCSCCc1ccccn1 62a_100015183660_100012276601 [0,2,0,0,0,0|1,0,0]=3 35441 B14R1.422 CC(O)CCSCCc1cccnc1 62a_100012276601_200011713674 [0,2,0,0,0,0|1,0,0]=3 35442 B14R1.422 CC(O)CCSCCc1cccnc1 62a_200011713674_100012276601 [0,2,0,0,0,0|1,0,0]=3 35443 B14R1.422 CC(O)CCSCCc1ccncc1 62a_100000723409_100012276601 [0,2,0,0,0,0|1,0,0]=3 35444 B14R1.422 CC(O)CCSCCc1ccncc1 62a_100012276601_100000723409 [0,2,0,0,0,0|1,0,0]=3 35445 B14R1.422 CC(O)CCSCSc1ccccc1 62a_100011218342_100012276601 [0,2,0,0,0,0|1,0,0]=3 35446 B14R1.422 CC(O)CCSCSc1ccccc1 62a_100012276601_100011218342 [0,2,0,0,0,0|1,0,0]=3 35447 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100000210904_100016265936 [0,2,0,0,0,0|0,0,2]=4 35448 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218427 [0,2,0,0,0,0|0,0,2]=4 35449 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100000210904_100016265936 [0,2,0,0,0,0|0,0,2]=4 35450 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218427 [0,2,0,0,0,0|0,0,2]=4 35451 B14R1.422 CC(O)CNCC#Cc1ccccc1 2230a_100000210904_100011352542 [0,2,0,0,0,0|0,0,2]=4 35452 B14R1.422 CC(O)CNCC#Cc1ccccc1 34a_100000210904_100011352542 [0,2,0,0,0,0|0,0,2]=4 35453 B14R1.422 CC(O)CNCC#Cc1ccccc1 34a_100000735379_100011218427 [0,2,0,0,0,0|0,0,2]=4 35454 B14R1.422 CC(O)CNCC=Cc1ccccc1 270004a_100000210904_100000210105 [0,2,0,0,0,0|0,0,2]=4 35455 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000210904_100000211621 [0,2,0,0,0,0|0,0,0]=2 35456 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000211184_100011218427 [0,2,0,0,0,0|0,0,0]=2 35457 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000210904_100000211621 [0,2,0,0,0,0|0,0,0]=2 35458 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000211184_100011218427 [0,2,0,0,0,0|0,0,0]=2 35459 B14R1.422 CC(O)CNCCCc1cccnc1 2230a_100011532358_100011218427 [0,2,0,0,0,0|1,0,0]=3 35460 B14R1.422 CC(O)CNCCCc1cccnc1 34a_100011532358_100011218427 [0,2,0,0,0,0|1,0,0]=3 35461 B14R1.422 CC(O)CNCCCc1ccncc1 2230a_100011275580_100011218427 [0,2,0,0,0,0|1,0,0]=3 35462 B14R1.422 CC(O)CNCCOc1ccccc1 2230a_100000174943_100011218427 [0,2,0,0,0,0|1,0,0]=3 35463 B14R1.422 CC(O)CNCCOc1ccccc1 2230a_100000210904_100000184471 [0,2,0,0,0,0|1,0,0]=3 35464 B14R1.422 CC(O)CNCCOc1ccccc1 270004a_100000210904_100000758736 [0,2,0,0,0,0|1,0,0]=3 35465 B14R1.422 CC(O)CNCCOc1ccccc1 34a_100000174943_100011218427 [0,2,0,0,0,0|1,0,0]=3 35466 B14R1.422 CC(O)CNCCOc1ccccc1 34a_100000210904_100000184471 [0,2,0,0,0,0|1,0,0]=3 35467 B14R1.422 CC(O)CNCCOc1ccccn1 2230a_106741647558_100011218427 [0,2,0,0,0,0|2,0,0]=4 35468 B14R1.422 CC(O)CNCCOc1cccnc1 2230a_100000754688_100011218427 [0,2,0,0,0,0|2,0,0]=4 35469 B14R1.422 CC(O)CNCCSc1ccccc1 2230a_100000189519_100011218427 [0,2,0,0,0,0|1,0,0]=3 35470 B14R1.422 CC(O)CNCCSc1ccccc1 2230a_100000210904_100000246102 [0,2,0,0,0,0|1,0,0]=3 35471 B14R1.422 CC(O)CNCCSc1ccccc1 34a_100000210904_100000246102 [0,2,0,0,0,0|1,0,0]=3 35472 B14R1.422 CC(O)CNCOCc1ccccc1 2230a_100000210904_100000763385 [0,2,0,0,0,0|1,0,0]=3 35473 B14R1.422 CC(O)CNCOCc1ccccc1 34a_100000210904_100000763385 [0,2,0,0,0,0|1,0,0]=3 35474 B14R1.422 CC(O)CNCSCc1ccccc1 2230a_100000210904_200011217039 [0,2,0,0,0,0|1,0,0]=3 35475 B14R1.422 CC(O)CNCSCc1ccccc1 34a_100000210904_200011217039 [0,2,0,0,0,0|1,0,0]=3 35476 B14R1.422 CC(O)CNN=CCc1ccccc1 4a_200000730056_100000209964 [0,2,0,0,0,0|1,0,1]=4 35477 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [0,2,0,0,0,0|0,0,2]=4 35478 B14R1.422 CC(O)COCC#Cc1ccccc1 34a_100011217464_100011218427 [0,2,0,0,0,0|0,0,2]=4 35479 B14R1.422 CC(O)COCC#Cc1ccccc1 7a_100011217464_100011218427 [0,2,0,0,0,0|0,0,2]=4 35480 B14R1.422 CC(O)COCCCC1=CCC=CC1 34a_100020667889_100011218427 [0,2,0,0,0,0|0,0,2]=4 35481 B14R1.422 CC(O)COCCCc1ccccc1 34a_100000210828_100011218427 [0,2,0,0,0,0|0,0,0]=2 35482 B14R1.422 CC(O)COCCCc1ccccc1 7a_100000210828_100011218427 [0,2,0,0,0,0|0,0,0]=2 35483 B14R1.422 CC(O)COCCCc1ccccn1 34a_100011215068_100011218427 [0,2,0,0,0,0|1,0,0]=3 35484 B14R1.422 CC(O)COCCCc1cccnc1 34a_100000211284_100011218427 [0,2,0,0,0,0|1,0,0]=3 35485 B14R1.422 CC(O)COCCCc1ccncc1 34a_100000210659_100011218427 [0,2,0,0,0,0|1,0,0]=3 35486 B14R1.422 CC(O)COCCNc1ccccc1 34a_100000211345_100011218427 [0,2,0,0,0,0|1,0,0]=3 35487 B14R1.422 CC(O)COCCNc1ccncc1 34a_200011243140_100011218427 [0,2,0,0,0,0|2,0,0]=4 35488 B14R1.422 CC(O)COCCOc1ccccc1 34a_100000210260_100011218427 [0,2,0,0,0,0|1,0,0]=3 35489 B14R1.422 CC(O)COCCOc1ccccc1 7a_100000210260_100011218427 [0,2,0,0,0,0|1,0,0]=3 35490 B14R1.422 CC(O)COCCSc1ccccc1 7a_100000230494_100011218427 [0,2,0,0,0,0|1,0,0]=3 35491 B14R1.422 CC(O)COCCSc1ccccn1 7a_100000156319_100011218427 [0,2,0,0,0,0|2,0,0]=4 35492 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100011218427_100016265936 [0,2,0,0,0,0|0,0,2]=4 35493 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218427 [0,2,0,0,0,0|0,0,2]=4 35494 B14R1.422 CC(O)CSCC#Cc1ccccc1 62a_100011218427_100011352542 [0,2,0,0,0,0|0,0,2]=4 35495 B14R1.422 CC(O)CSCCCc1ccccc1 62a_100000211621_100011218427 [0,2,0,0,0,0|0,0,0]=2 35496 B14R1.422 CC(O)CSCCCc1ccccc1 62a_100011218427_100000211621 [0,2,0,0,0,0|0,0,0]=2 35497 B14R1.422 CC(O)CSCCOc1ccccc1 62a_100000184471_100011218427 [0,2,0,0,0,0|1,0,0]=3 35498 B14R1.422 CC(O)CSCCOc1ccccc1 62a_100011218427_100000184471 [0,2,0,0,0,0|1,0,0]=3 35499 B14R1.422 CC(O)CSCCSc1ccccc1 62a_100000246102_100011218427 [0,2,0,0,0,0|1,0,0]=3 35500 B14R1.422 CC(O)CSCCSc1ccccc1 62a_100011218427_100000246102 [0,2,0,0,0,0|1,0,0]=3 35501 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100000763385_100011218427 [0,2,0,0,0,0|1,0,0]=3 35502 B14R1.422 CC(O)CSCOCc1ccccc1 62a_100011218427_100000763385 [0,2,0,0,0,0|1,0,0]=3 35503 B14R1.422 CC(O)CSCSCc1ccccc1 62a_100011218427_200011217039 [0,2,0,0,0,0|1,0,0]=3 35504 B14R1.422 CC(O)CSCSCc1ccccc1 62a_200011217039_100011218427 [0,2,0,0,0,0|1,0,0]=3 35505 B14R1.422 CN(C)CCCCCc1ccccc1 2230a_100102631434_200011217138 [0,2,0,0,0,0|1,0,0]=3 35506 B14R1.422 CN(C)CCCCCc1ccccc1 269982a_100102631434_200011217138 [0,2,0,0,0,0|1,0,0]=3 35507 B14R1.422 CN(C)CCCCOc1ccccc1 2230a_100102631434_100011215240 [0,2,0,0,0,0|2,0,0]=4 35508 B14R1.422 CN(C)CCCCOc1ccccc1 269982a_100102631434_100011215240 [0,2,0,0,0,0|2,0,0]=4 35509 B14R1.422 CN(C)CCCCSc1ccccc1 62a_100000719477_100000690147 [0,2,0,0,0,0|2,0,0]=4 35510 B14R1.422 CN(C)CCCNCc1ccccc1 207a_102531767803_100015611070 [0,2,0,0,0,0|2,0,0]=4 35511 B14R1.422 CN(C)CCCNCc1ccccc1 270004a_102531767803_100015611070 [0,2,0,0,0,0|2,0,0]=4 35512 B14R1.422 CN(C)CCCOCc1ccccc1 2230a_100000233174_200000210301 [0,2,0,0,0,0|2,0,0]=4 35513 B14R1.422 CN(C)CCCOCc1ccccc1 2230a_100102631434_100011215529 [0,2,0,0,0,0|2,0,0]=4 35514 B14R1.422 CN(C)CCCOCc1ccccc1 269982a_100000233174_200000210301 [0,2,0,0,0,0|2,0,0]=4 35515 B14R1.422 CN(C)CCCOCc1ccccc1 269982a_100102631434_100011215529 [0,2,0,0,0,0|2,0,0]=4 35516 B14R1.422 CN(C)CCCOCc1ccccc1 7a_100000210790_100000757444 [0,2,0,0,0,0|2,0,0]=4 35517 B14R1.422 CN(C)CCCSCc1ccccc1 62a_100000211182_100000757444 [0,2,0,0,0,0|2,0,0]=4 35518 B14R1.422 CN(C)CCOCCc1ccccc1 7a_100000210268_100000755713 [0,2,0,0,0,0|2,0,0]=4 35519 B14R1.422 CN(C)CCSCCc1ccccc1 62a_100000765856_100000755713 [0,2,0,0,0,0|2,0,0]=4 35520 B14R1.422 CN([13CH3])CCCOCc1ccccc1 2230a_100000233174_200025704644 [0,2,0,0,0,0|2,0,0]=4 35521 B14R1.422 CN([13CH3])CCCOCc1ccccc1 269982a_100000233174_200025704644 [0,2,0,0,0,0|2,0,0]=4 35522 B14R1.422 CS(=O)CCCNCc1ccccc1 207a_200000753449_100015611070 [0,2,0,0,0,0|1,0,1]=4 35523 B14R1.422 CS(=O)CCCNCc1ccccc1 2230a_200000753449_100015291786 [0,2,0,0,0,0|1,0,1]=4 35524 B14R1.422 CS(=O)CCCNCc1ccccc1 270004a_200000753449_100015611070 [0,2,0,0,0,0|1,0,1]=4 35525 B14R1.422 C[C@@H](Cl)COCCCc1ccccc1 34a_100016084084_100000211621 [0,2,0,0,0,0|1,0,0]=3 35526 B14R1.422 C[C@@H](Cl)COCCOc1ccccc1 34a_100016084084_100000184471 [0,2,0,0,0,0|2,0,0]=4 35527 B14R1.422 C[C@@H](Cl)COCCSc1ccccc1 34a_100016084084_100000246102 [0,2,0,0,0,0|2,0,0]=4 35528 B14R1.422 C[C@@H](Cl)COCOCc1ccccc1 34a_100016084084_100000763385 [0,2,0,0,0,0|2,0,0]=4 35529 B14R1.422 C[C@@H](Cl)COCSCc1ccccc1 34a_100016084084_200011217039 [0,2,0,0,0,0|2,0,0]=4 35530 B14R1.422 C[C@@H](N)CCOCCc1ccccc1 34a_100000706166_100000765856 [0,2,0,0,0,0|1,0,0]=3 35531 B14R1.422 C[C@@H](N)COCCCc1ccccc1 34a_100000737577_100000211621 [0,2,0,0,0,0|1,0,0]=3 35532 B14R1.422 C[C@@H](N)COCCOc1ccccc1 34a_100000737577_100000184471 [0,2,0,0,0,0|2,0,0]=4 35533 B14R1.422 C[C@@H](N)COCCSc1ccccc1 34a_100000737577_100000246102 [0,2,0,0,0,0|2,0,0]=4 35534 B14R1.422 C[C@@H](N)COCOCc1ccccc1 34a_100000737577_100000763385 [0,2,0,0,0,0|2,0,0]=4 35535 B14R1.422 C[C@@H](N)COCSCc1ccccc1 34a_100000737577_200011217039 [0,2,0,0,0,0|2,0,0]=4 35536 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 2230a_100020603302_100009817552 [0,2,0,0,0,0|0,0,2]=4 35537 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 34a_100020603302_100009817552 [0,2,0,0,0,0|0,0,2]=4 35538 B14R1.422 C[C@@H](O)CNCC#Cc1ccccc1 34a_100000735379_100009817552 [0,2,0,0,0,0|0,0,2]=4 35539 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 2230a_100000211184_100009817552 [0,2,0,0,0,0|0,0,0]=2 35540 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 34a_100000211184_100009817552 [0,2,0,0,0,0|0,0,0]=2 35541 B14R1.422 C[C@@H](O)CNCCCc1cccnc1 2230a_100011532358_100009817552 [0,2,0,0,0,0|1,0,0]=3 35542 B14R1.422 C[C@@H](O)CNCCCc1cccnc1 34a_100011532358_100009817552 [0,2,0,0,0,0|1,0,0]=3 35543 B14R1.422 C[C@@H](O)CNCCCc1ccncc1 2230a_100011275580_100009817552 [0,2,0,0,0,0|1,0,0]=3 35544 B14R1.422 C[C@@H](O)CNCCOc1ccccc1 2230a_100000174943_100009817552 [0,2,0,0,0,0|1,0,0]=3 35545 B14R1.422 C[C@@H](O)CNCCOc1ccccc1 34a_100000174943_100009817552 [0,2,0,0,0,0|1,0,0]=3 35546 B14R1.422 C[C@@H](O)CNCCOc1ccccn1 2230a_106741647558_100009817552 [0,2,0,0,0,0|2,0,0]=4 35547 B14R1.422 C[C@@H](O)CNCCOc1cccnc1 2230a_100000754688_100009817552 [0,2,0,0,0,0|2,0,0]=4 35548 B14R1.422 C[C@@H](O)CNCCSc1ccccc1 2230a_100000189519_100009817552 [0,2,0,0,0,0|1,0,0]=3 35549 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [0,2,0,0,0,0|0,0,2]=4 35550 B14R1.422 C[C@@H](O)COCC#Cc1ccccc1 34a_100011217464_100009817552 [0,2,0,0,0,0|0,0,2]=4 35551 B14R1.422 C[C@@H](O)COCC#Cc1ccccc1 7a_100011217464_100009817552 [0,2,0,0,0,0|0,0,2]=4 35552 B14R1.422 C[C@@H](O)COCCCC1=CCC=CC1 34a_100020667889_100009817552 [0,2,0,0,0,0|0,0,2]=4 35553 B14R1.422 C[C@@H](O)COCCCc1ccccc1 34a_100000210828_100009817552 [0,2,0,0,0,0|0,0,0]=2 35554 B14R1.422 C[C@@H](O)COCCCc1ccccc1 7a_100000210828_100009817552 [0,2,0,0,0,0|0,0,0]=2 35555 B14R1.422 C[C@@H](O)COCCCc1ccccn1 34a_100011215068_100009817552 [0,2,0,0,0,0|1,0,0]=3 35556 B14R1.422 C[C@@H](O)COCCCc1cccnc1 34a_100000211284_100009817552 [0,2,0,0,0,0|1,0,0]=3 35557 B14R1.422 C[C@@H](O)COCCCc1ccncc1 34a_100000210659_100009817552 [0,2,0,0,0,0|1,0,0]=3 35558 B14R1.422 C[C@@H](O)COCCNc1ccccc1 34a_100000211345_100009817552 [0,2,0,0,0,0|1,0,0]=3 35559 B14R1.422 C[C@@H](O)COCCNc1ccncc1 34a_200011243140_100009817552 [0,2,0,0,0,0|2,0,0]=4 35560 B14R1.422 C[C@@H](O)COCCOc1ccccc1 34a_100000210260_100009817552 [0,2,0,0,0,0|1,0,0]=3 35561 B14R1.422 C[C@@H](O)COCCOc1ccccc1 7a_100000210260_100009817552 [0,2,0,0,0,0|1,0,0]=3 35562 B14R1.422 C[C@@H](O)COCCSc1ccccc1 7a_100000230494_100009817552 [0,2,0,0,0,0|1,0,0]=3 35563 B14R1.422 C[C@@H](O)COCCSc1ccccn1 7a_100000156319_100009817552 [0,2,0,0,0,0|2,0,0]=4 35564 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100009817552_100016265936 [0,2,0,0,0,0|0,0,2]=4 35565 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100016265936_100009817552 [0,2,0,0,0,0|0,0,2]=4 35566 B14R1.422 C[C@@H](O)CSCC#Cc1ccccc1 62a_100009817552_100011352542 [0,2,0,0,0,0|0,0,2]=4 35567 B14R1.422 C[C@@H](O)CSCCCc1ccccc1 62a_100000211621_100009817552 [0,2,0,0,0,0|0,0,0]=2 35568 B14R1.422 C[C@@H](O)CSCCCc1ccccc1 62a_100009817552_100000211621 [0,2,0,0,0,0|0,0,0]=2 35569 B14R1.422 C[C@@H](O)CSCCOc1ccccc1 62a_100000184471_100009817552 [0,2,0,0,0,0|1,0,0]=3 35570 B14R1.422 C[C@@H](O)CSCCOc1ccccc1 62a_100009817552_100000184471 [0,2,0,0,0,0|1,0,0]=3 35571 B14R1.422 C[C@@H](O)CSCCSc1ccccc1 62a_100000246102_100009817552 [0,2,0,0,0,0|1,0,0]=3 35572 B14R1.422 C[C@@H](O)CSCCSc1ccccc1 62a_100009817552_100000246102 [0,2,0,0,0,0|1,0,0]=3 35573 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100000763385_100009817552 [0,2,0,0,0,0|1,0,0]=3 35574 B14R1.422 C[C@@H](O)CSCOCc1ccccc1 62a_100009817552_100000763385 [0,2,0,0,0,0|1,0,0]=3 35575 B14R1.422 C[C@@H](O)CSCSCc1ccccc1 62a_100009817552_200011217039 [0,2,0,0,0,0|1,0,0]=3 35576 B14R1.422 C[C@@H](O)CSCSCc1ccccc1 62a_200011217039_100009817552 [0,2,0,0,0,0|1,0,0]=3 35577 B14R1.422 FC(F)CCOCCc1ccccc1 34a_100103093639_100000765856 [0,2,0,0,0,0|1,0,0]=3 35578 B14R1.422 FC(F)CNCCCc1ccccc1 2230a_100000211184_100011934356 [0,2,0,0,0,0|1,0,0]=3 35579 B14R1.422 FC(F)CNCCCc1ccccc1 34a_100000211184_100011934356 [0,2,0,0,0,0|1,0,0]=3 35580 B14R1.422 FC(F)CNCCCc1ccccc1 34a_100000765723_100000211621 [0,2,0,0,0,0|1,0,0]=3 35581 B14R1.422 FC(F)CNCCCc1cccnc1 2230a_100011532358_100011934356 [0,2,0,0,0,0|2,0,0]=4 35582 B14R1.422 FC(F)CNCCCc1cccnc1 34a_100011532358_100011934356 [0,2,0,0,0,0|2,0,0]=4 35583 B14R1.422 FC(F)CNCCCc1ccncc1 2230a_100011275580_100011934356 [0,2,0,0,0,0|2,0,0]=4 35584 B14R1.422 FC(F)CNCCOc1ccccc1 2230a_100000174943_100011934356 [0,2,0,0,0,0|2,0,0]=4 35585 B14R1.422 FC(F)CNCCOc1ccccc1 270004a_100000765723_100000758736 [0,2,0,0,0,0|2,0,0]=4 35586 B14R1.422 FC(F)CNCCOc1ccccc1 34a_100000174943_100011934356 [0,2,0,0,0,0|2,0,0]=4 35587 B14R1.422 FC(F)CNCCOc1ccccc1 34a_100000765723_100000184471 [0,2,0,0,0,0|2,0,0]=4 35588 B14R1.422 FC(F)CNCCSc1ccccc1 2230a_100000189519_100011934356 [0,2,0,0,0,0|2,0,0]=4 35589 B14R1.422 FC(F)CNCCSc1ccccc1 34a_100000765723_100000246102 [0,2,0,0,0,0|2,0,0]=4 35590 B14R1.422 FC(F)CNCOCc1ccccc1 34a_100000765723_100000763385 [0,2,0,0,0,0|2,0,0]=4 35591 B14R1.422 FC(F)CNCSCc1ccccc1 34a_100000765723_200011217039 [0,2,0,0,0,0|2,0,0]=4 35592 B14R1.422 FC(F)COCCCc1ccccc1 34a_100000210828_100011934356 [0,2,0,0,0,0|1,0,0]=3 35593 B14R1.422 FC(F)COCCCc1ccccc1 34a_100000743014_100000211621 [0,2,0,0,0,0|1,0,0]=3 35594 B14R1.422 FC(F)COCCCc1ccccc1 7a_100000210828_100011934356 [0,2,0,0,0,0|1,0,0]=3 35595 B14R1.422 FC(F)COCCCc1ccccn1 34a_100011215068_100011934356 [0,2,0,0,0,0|2,0,0]=4 35596 B14R1.422 FC(F)COCCCc1cccnc1 34a_100000211284_100011934356 [0,2,0,0,0,0|2,0,0]=4 35597 B14R1.422 FC(F)COCCCc1ccncc1 34a_100000210659_100011934356 [0,2,0,0,0,0|2,0,0]=4 35598 B14R1.422 FC(F)COCCNc1ccccc1 34a_100000106764_200012177212 [0,2,0,0,0,0|2,0,0]=4 35599 B14R1.422 FC(F)COCCNc1ccccc1 34a_100000211345_100011934356 [0,2,0,0,0,0|2,0,0]=4 35600 B14R1.422 FC(F)COCCOc1ccccc1 34a_100000210260_100011934356 [0,2,0,0,0,0|2,0,0]=4 35601 B14R1.422 FC(F)COCCOc1ccccc1 34a_100000210340_200012177212 [0,2,0,0,0,0|2,0,0]=4 35602 B14R1.422 FC(F)COCCOc1ccccc1 34a_100000743014_100000184471 [0,2,0,0,0,0|2,0,0]=4 35603 B14R1.422 FC(F)COCCOc1ccccc1 7a_100000210260_100011934356 [0,2,0,0,0,0|2,0,0]=4 35604 B14R1.422 FC(F)COCCOc1ccccc1 7a_100000210340_200012177212 [0,2,0,0,0,0|2,0,0]=4 35605 B14R1.422 FC(F)COCCSc1ccccc1 34a_100000743014_100000246102 [0,2,0,0,0,0|2,0,0]=4 35606 B14R1.422 FC(F)COCCSc1ccccc1 62a_100000719477_200012177212 [0,2,0,0,0,0|2,0,0]=4 35607 B14R1.422 FC(F)COCCSc1ccccc1 62a_200012177212_100000041952 [0,2,0,0,0,0|2,0,0]=4 35608 B14R1.422 FC(F)COCCSc1ccccc1 7a_100000230494_100011934356 [0,2,0,0,0,0|2,0,0]=4 35609 B14R1.422 FC(F)COCOCc1ccccc1 34a_100000743014_100000763385 [0,2,0,0,0,0|2,0,0]=4 35610 B14R1.422 FC(F)COCSCc1ccccc1 34a_100000743014_200011217039 [0,2,0,0,0,0|2,0,0]=4 35611 B14R1.422 FC(F)CSCCCc1ccccc1 62a_100000211621_100011934356 [0,2,0,0,0,0|1,0,0]=3 35612 B14R1.422 FC(F)CSCCCc1ccccc1 62a_100011934356_100000211621 [0,2,0,0,0,0|1,0,0]=3 35613 B14R1.422 FC(F)CSCCOc1ccccc1 62a_100000184471_100011934356 [0,2,0,0,0,0|2,0,0]=4 35614 B14R1.422 FC(F)CSCCOc1ccccc1 62a_100011934356_100000184471 [0,2,0,0,0,0|2,0,0]=4 35615 B14R1.422 FC(F)CSCCSc1ccccc1 62a_100000246102_100011934356 [0,2,0,0,0,0|2,0,0]=4 35616 B14R1.422 FC(F)CSCCSc1ccccc1 62a_100011934356_100000246102 [0,2,0,0,0,0|2,0,0]=4 35617 B14R1.422 FC(F)CSCOCc1ccccc1 62a_100000763385_100011934356 [0,2,0,0,0,0|2,0,0]=4 35618 B14R1.422 FC(F)CSCOCc1ccccc1 62a_100011934356_100000763385 [0,2,0,0,0,0|2,0,0]=4 35619 B14R1.422 FC(F)CSCSCc1ccccc1 62a_100011934356_200011217039 [0,2,0,0,0,0|2,0,0]=4 35620 B14R1.422 FC(F)CSCSCc1ccccc1 62a_200011217039_100011934356 [0,2,0,0,0,0|2,0,0]=4 35621 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100000739312_100015291786 [0,2,0,0,0,0|0,0,2]=4 35622 B14R1.422 NC(=O)CCCNCc1ccccc1 34a_100015324214_100102525003 [0,2,0,0,0,0|0,0,2]=4 35623 B14R1.422 NC(=O)CCCOCc1ccccc1 34a_100000210790_100102525003 [0,2,0,0,0,0|0,0,2]=4 35624 B14R1.422 NC(=O)CCCOCc1ccccc1 7a_100000210790_100102525003 [0,2,0,0,0,0|0,0,2]=4 35625 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100000211182_100102525003 [0,2,0,0,0,0|0,0,2]=4 35626 B14R1.422 NC(=O)CCCSCc1ccccc1 62a_100102525003_100015291786 [0,2,0,0,0,0|0,0,2]=4 35627 B14R1.422 NC(=O)CCNCCc1ccccc1 2230a_100000106460_100000744528 [0,2,0,0,0,0|0,0,2]=4 35628 B14R1.422 NC(=O)CCNCCc1ccccc1 34a_100000106460_100000731001 [0,2,0,0,0,0|0,0,2]=4 35629 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000210268_100000731001 [0,2,0,0,0,0|0,0,2]=4 35630 B14R1.422 NC(=O)CCOCCc1ccccc1 34a_100000757172_100000765856 [0,2,0,0,0,0|0,0,2]=4 35631 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000210268_100000744528 [0,2,0,0,0,0|0,0,2]=4 35632 B14R1.422 NC(=O)CCOCCc1ccccc1 7a_100000757172_100000765856 [0,2,0,0,0,0|0,0,2]=4 35633 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000744528_100011218657 [0,2,0,0,0,0|0,0,2]=4 35634 B14R1.422 NC(=O)CCSCCc1ccccc1 62a_100000765856_100000744528 [0,2,0,0,0,0|0,0,2]=4 35635 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [0,2,0,0,0,0|0,0,2]=4 35636 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [0,2,0,0,0,0|0,0,2]=4 35637 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [0,2,0,0,0,0|0,0,2]=4 35638 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [0,2,0,0,0,0|0,0,2]=4 35639 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [0,2,0,0,0,0|0,0,2]=4 35640 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000211621_100000747473 [0,2,0,0,0,0|0,0,2]=4 35641 B14R1.422 NC(=O)CSCCCc1ccccc1 62a_100000747473_100000211621 [0,2,0,0,0,0|0,0,2]=4 35642 B14R1.422 O=C(O)CNCCCc1ccccc1 269956a_100016091260_100000211621 [0,2,0,0,0,0|0,0,1]=3 35643 B14R1.422 O=C(O)CNCCOc1ccccc1 269956a_100016091260_100000184471 [0,2,0,0,0,0|1,0,1]=4 35644 B14R1.422 O=C(O)CNCCSc1ccccc1 269956a_100016091260_100000246102 [0,2,0,0,0,0|1,0,1]=4 35645 B14R1.422 O=C(O)CNCOCc1ccccc1 269956a_100016091260_100000763385 [0,2,0,0,0,0|1,0,1]=4 35646 B14R1.422 O=C(O)CNCSCc1ccccc1 269956a_100016091260_200011217039 [0,2,0,0,0,0|1,0,1]=4 35647 B14R1.422 O=C(O)CONCCc1ccccc1 269956a_100000106656_100000765856 [0,2,0,0,0,0|1,0,1]=4 35648 B14R1.422 O=C([O-])CNCCCc1ccccc1 34a_100000211184_100020667443 [0,2,0,0,0,0|0,0,2]=4 35649 B14R1.422 O=C([O-])COCCCc1ccccc1 34a_100000210828_100020667443 [0,2,0,0,0,0|0,0,2]=4 35650 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100000211621_100020667443 [0,2,0,0,0,0|0,0,2]=4 35651 B14R1.422 O=C([O-])CSCCCc1ccccc1 62a_100020667443_100000211621 [0,2,0,0,0,0|0,0,2]=4 35652 B14R1.422 O=[N+]([O-])CCCOCc1ccccc1 34a_200000037920_100015291786 [0,2,0,0,0,0|1,0,1]=4 35653 B14R1.422 O=[N+]([O-])CNCCCc1ccccc1 34a_100000211184_100000761209 [0,2,0,0,0,0|1,0,1]=4 35654 B14R1.422 O=[N+]([O-])COCCCc1ccccc1 34a_100000210828_100000761209 [0,2,0,0,0,0|1,0,1]=4 35655 B14R1.422 O=[N+]([O-])CSCCCc1ccccc1 62a_100000211621_100000761209 [0,2,0,0,0,0|1,0,1]=4 35656 B14R1.422 OB(O)CCCCNc1ccccc1 34a_100000106764_200009817182 [0,2,0,0,0,0|1,0,0]=3 35657 B14R1.422 OB(O)CCCCOc1ccccc1 34a_100000210340_200009817182 [0,2,0,0,0,0|1,0,0]=3 35658 B14R1.422 OB(O)CCCCOc1ccccc1 7a_100000210340_200009817182 [0,2,0,0,0,0|1,0,0]=3 35659 B14R1.422 OB(O)CCCCOc1cccnc1 34a_100000210849_200009817182 [0,2,0,0,0,0|2,0,0]=4 35660 B14R1.422 OB(O)CCCCOc1cccnc1 7a_100000210849_200009817182 [0,2,0,0,0,0|2,0,0]=4 35661 B14R1.422 OB(O)CCCCOc1ccncc1 34a_100000212176_200009817182 [0,2,0,0,0,0|2,0,0]=4 35662 B14R1.422 OB(O)CCCCSc1ccccc1 62a_100000719477_200009817182 [0,2,0,0,0,0|1,0,0]=3 35663 B14R1.422 OB(O)CCCCSc1ccccc1 62a_200009817182_100000041952 [0,2,0,0,0,0|1,0,0]=3 35664 B14R1.422 OB(O)CCCCSc1ccccn1 62a_100011216584_200009817182 [0,2,0,0,0,0|2,0,0]=4 35665 B14R1.422 OB(O)CCCCSc1ccccn1 62a_200009817182_100011216584 [0,2,0,0,0,0|2,0,0]=4 35666 B14R1.422 OB(O)CCCCSc1cccnc1 62a_100000210063_200009817182 [0,2,0,0,0,0|2,0,0]=4 35667 B14R1.422 OB(O)CCCCSc1cccnc1 62a_200009817182_100000210063 [0,2,0,0,0,0|2,0,0]=4 35668 B14R1.422 OB(O)CCCCSc1ccncc1 62a_100000728582_200009817182 [0,2,0,0,0,0|2,0,0]=4 35669 B14R1.422 OB(O)CCCCSc1ccncc1 62a_200009817182_100000728582 [0,2,0,0,0,0|2,0,0]=4 35670 B14R1.422 [13CH3]C(=O)CCCCCc1ccccc1 1458a_100011216832_200025704644 [0,2,0,0,0,0|0,0,1]=3 35671 B14R1.422 [13CH3]C(=O)CCCCOc1ccccc1 1458a_200011216290_200025704644 [0,2,0,0,0,0|0,0,2]=4 35672 B14R1.422 [13CH3]C(=O)CCCOCc1ccccc1 1458a_100000748059_200025704644 [0,2,0,0,0,0|0,0,2]=4 35673 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000184674 [0,2,0,0,0,0|1,0,1]=4 35674 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011220946_100000211621 [0,2,0,0,0,0|1,0,1]=4 35675 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [0,2,0,0,0,0|1,0,1]=4 35676 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [0,2,0,0,0,0|1,0,1]=4 35677 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000225692_100000211621 [0,2,0,0,0,0|1,0,1]=4 35678 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000693637_100000038162 [0,2,0,0,0,0|1,0,1]=4 35679 B14R1.520 C#CCN(C)CCCc1ccccc1 34a_100000225692_100000211621 [0,2,0,0,0,0|1,0,1]=4 35680 B14R1.520 C=CCC(=O)CCCc1ccccc1 1458a_100000210193_100000211621 [0,2,0,0,0,0|1,0,1]=4 35681 B14R1.520 C=CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210623 [0,2,0,0,0,0|1,0,1]=4 35682 B14R1.520 C=CCC(C)COCc1ccccc1 34a_100009832082_100015291786 [0,2,0,0,0,0|1,0,1]=4 35683 B14R1.520 C=CCC(C)COCc1ccccc1 7a_100009832082_100000211182 [0,2,0,0,0,0|1,0,1]=4 35684 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000225617_100000211621 [0,2,0,0,0,0|1,0,1]=4 35685 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000693637_100000210623 [0,2,0,0,0,0|1,0,1]=4 35686 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000225617_100000211621 [0,2,0,0,0,0|1,0,1]=4 35687 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000693637_100000210623 [0,2,0,0,0,0|1,0,1]=4 35688 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 34a_100000731007_100000765856 [0,2,0,0,0,0|1,0,1]=4 35689 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 7a_100000731007_100000765856 [0,2,0,0,0,0|1,0,1]=4 35690 B14R1.520 C=CC[C@@H](N)COCc1ccccc1 34a_100020615467_100015291786 [0,2,0,0,0,0|1,0,1]=4 35691 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [0,2,0,0,0,0|1,0,1]=4 35692 B14R1.520 CC(CC#N)OCCc1ccccc1 7a_100000210268_100009813641 [0,2,0,0,0,0|1,0,1]=4 35693 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100000765856_100009813641 [0,2,0,0,0,0|1,0,1]=4 35694 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100009813641_100011218657 [0,2,0,0,0,0|1,0,1]=4 35695 B14R1.520 CC(CCBr)OCCc1ccccc1 34a_100012276601_100000765856 [0,2,0,0,0,0|1,0,0]=3 35696 B14R1.520 CC(CCCc1ccccc1)SCF 62a_100015361967_200010759516 [0,2,0,0,0,0|1,0,0]=3 35697 B14R1.520 CC(CCCc1ccccc1)SCF 62a_200010759516_100015361967 [0,2,0,0,0,0|1,0,0]=3 35698 B14R1.520 CC(CCN)COCc1ccccc1 34a_106354213184_100015291786 [0,2,0,0,0,0|1,0,0]=3 35699 B14R1.520 CC(CCN)COCc1ccccn1 34a_106354213184_100000721315 [0,2,0,0,0,0|2,0,0]=4 35700 B14R1.520 CC(CCN)COCc1cccnc1 34a_106354213184_100000733263 [0,2,0,0,0,0|2,0,0]=4 35701 B14R1.520 CC(CCO)NCCc1ccccc1 2230a_100000106460_100009893172 [0,2,0,0,0,0|0,0,0]=2 35702 B14R1.520 CC(CCO)NCCc1ccccc1 34a_100000106460_100009893172 [0,2,0,0,0,0|0,0,0]=2 35703 B14R1.520 CC(CCO)NCCc1cccnc1 2230a_100000736294_100009893172 [0,2,0,0,0,0|1,0,0]=3 35704 B14R1.520 CC(CCO)OCCc1ccccc1 34a_100000210268_100009893172 [0,2,0,0,0,0|0,0,0]=2 35705 B14R1.520 CC(CCO)OCCc1ccccc1 7a_100000210268_100009893172 [0,2,0,0,0,0|0,0,0]=2 35706 B14R1.520 CC(CCO)OCCc1ccccn1 34a_100000210271_100009893172 [0,2,0,0,0,0|1,0,0]=3 35707 B14R1.520 CC(CCO)OCCc1cccnc1 34a_100011217484_100009893172 [0,2,0,0,0,0|1,0,0]=3 35708 B14R1.520 CC(CCO)OCCc1ccncc1 34a_100011216225_100009893172 [0,2,0,0,0,0|1,0,0]=3 35709 B14R1.520 CC(CCO)OCCc1cnccn1 34a_100011349526_100009893172 [0,2,0,0,0,0|2,0,0]=4 35710 B14R1.520 CC(CCO)OCCc1cncnc1 34a_100011709255_100009893172 [0,2,0,0,0,0|2,0,0]=4 35711 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100000765856_100009893172 [0,2,0,0,0,0|0,0,0]=2 35712 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100009893172_100011218657 [0,2,0,0,0,0|0,0,0]=2 35713 B14R1.520 CC(CCO)SCCc1ccccn1 62a_100009893172_100015183660 [0,2,0,0,0,0|1,0,0]=3 35714 B14R1.520 CC(CCO)SCCc1ccccn1 62a_100015183660_100009893172 [0,2,0,0,0,0|1,0,0]=3 35715 B14R1.520 CC(CCO)SCCc1cccnc1 62a_100009893172_200011713674 [0,2,0,0,0,0|1,0,0]=3 35716 B14R1.520 CC(CCO)SCCc1cccnc1 62a_200011713674_100009893172 [0,2,0,0,0,0|1,0,0]=3 35717 B14R1.520 CC(CCO)SCCc1ccncc1 62a_100000723409_100009893172 [0,2,0,0,0,0|1,0,0]=3 35718 B14R1.520 CC(CCO)SCCc1ccncc1 62a_100009893172_100000723409 [0,2,0,0,0,0|1,0,0]=3 35719 B14R1.520 CC(CCO)SCSc1ccccc1 62a_100009893172_100011218342 [0,2,0,0,0,0|1,0,0]=3 35720 B14R1.520 CC(CCO)SCSc1ccccc1 62a_100011218342_100009893172 [0,2,0,0,0,0|1,0,0]=3 35721 B14R1.520 CC(CNCc1ccccc1)CO[13CH3] 34a_100015184949_200025704644 [0,2,0,0,0,0|1,0,0]=3 35722 B14R1.520 CC(COCc1ccccc1)CS[13CH3] 62a_100011216253_200025704644 [0,2,0,0,0,0|1,1,0]=4 35723 B14R1.520 CC(COCc1ccccc1)CS[13CH3] 62a_200025704644_100011216253 [0,2,0,0,0,0|1,1,0]=4 35724 B14R1.520 CC(COCc1ccccc1)OCF 34a_100000764311_100015361967 [0,2,0,0,0,0|2,0,0]=4 35725 B14R1.520 CC(COCc1ccccc1)OCF 7a_100000764311_100015361967 [0,2,0,0,0,0|2,0,0]=4 35726 B14R1.520 CC(CO[13CH3])COCc1ccccc1 34a_200011216033_200025704644 [0,2,0,0,0,0|1,0,0]=3 35727 B14R1.520 CC(CO[13CH3])COCc1ccccc1 7a_200011216033_200025704644 [0,2,0,0,0,0|1,0,0]=3 35728 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [0,2,0,0,0,0|1,0,0]=3 35729 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [0,2,0,0,0,0|1,0,0]=3 35730 B14R1.520 CCCC(=O)CCCc1ccccn1 1458a_100000752327_100000210303 [0,2,0,0,0,0|2,0,0]=4 35731 B14R1.520 CCCC(=O)CCCc1ccncc1 1458a_100020654287_100000210303 [0,2,0,0,0,0|2,0,0]=4 35732 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [0,2,0,0,0,0|1,0,1]=4 35733 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [0,2,0,0,0,0|1,0,1]=4 35734 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [0,2,0,0,0,0|1,0,1]=4 35735 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [0,2,0,0,0,0|1,0,1]=4 35736 B14R1.520 CCCC(=O)CNCc1ccccc1 2230a_100015324214_100000747444 [0,2,0,0,0,0|1,0,1]=4 35737 B14R1.520 CCCC(=O)COCc1ccccc1 1458a_100000230186_100000210303 [0,2,0,0,0,0|1,0,1]=4 35738 B14R1.520 CCCC(=O)COCc1ccccc1 7a_100000210790_100000747444 [0,2,0,0,0,0|1,0,1]=4 35739 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210303 [0,2,0,0,0,0|1,0,1]=4 35740 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000211992_200011217039 [0,2,0,0,0,0|1,0,1]=4 35741 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000211182_100000747444 [0,2,0,0,0,0|1,0,1]=4 35742 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000747444_100015291786 [0,2,0,0,0,0|1,0,1]=4 35743 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [0,2,0,0,0,0|1,0,1]=4 35744 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [0,2,0,0,0,0|1,0,1]=4 35745 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [0,2,0,0,0,0|1,0,1]=4 35746 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [0,2,0,0,0,0|1,0,1]=4 35747 B14R1.520 CCCC(C)CNCc1ccccc1 2230a_100015324214_100011216630 [0,2,0,0,0,0|1,0,0]=3 35748 B14R1.520 CCCC(C)CNCc1ccccc1 270004a_100015324214_100000243154 [0,2,0,0,0,0|1,0,0]=3 35749 B14R1.520 CCCC(C)CNCc1ccccc1 34a_100015324214_100011216630 [0,2,0,0,0,0|1,0,0]=3 35750 B14R1.520 CCCC(C)CNCc1ccccn1 270004a_100000210449_100000243154 [0,2,0,0,0,0|2,0,0]=4 35751 B14R1.520 CCCC(C)CNCc1cccnc1 270004a_100000210453_100000243154 [0,2,0,0,0,0|2,0,0]=4 35752 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000210790_100011216630 [0,2,0,0,0,0|1,0,0]=3 35753 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000688023_100015291786 [0,2,0,0,0,0|1,0,0]=3 35754 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000210790_100011216630 [0,2,0,0,0,0|1,0,0]=3 35755 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000688023_100000211182 [0,2,0,0,0,0|1,0,0]=3 35756 B14R1.520 CCCC(C)COCc1ccccn1 34a_100000688023_100000721315 [0,2,0,0,0,0|2,0,0]=4 35757 B14R1.520 CCCC(C)COCc1ccccn1 7a_100000688023_100000721315 [0,2,0,0,0,0|2,0,0]=4 35758 B14R1.520 CCCC(C)COCc1cccnc1 34a_100000688023_100000733263 [0,2,0,0,0,0|2,0,0]=4 35759 B14R1.520 CCCC(C)COCc1cccnc1 7a_100000688023_100000741622 [0,2,0,0,0,0|2,0,0]=4 35760 B14R1.520 CCCC(C)COCc1ccncc1 7a_100000688023_100015193705 [0,2,0,0,0,0|2,0,0]=4 35761 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100000211182_100011216630 [0,2,0,0,0,0|1,0,0]=3 35762 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100011216630_100015291786 [0,2,0,0,0,0|1,0,0]=3 35763 B14R1.520 CCCC(C)CSCc1ccccn1 62a_100000721315_100011216630 [0,2,0,0,0,0|2,0,0]=4 35764 B14R1.520 CCCC(C)CSCc1ccccn1 62a_100011216630_100000721315 [0,2,0,0,0,0|2,0,0]=4 35765 B14R1.520 CCCC(C)CSCc1cccnc1 62a_100000741622_100011216630 [0,2,0,0,0,0|2,0,0]=4 35766 B14R1.520 CCCC(C)CSCc1cccnc1 62a_100011216630_100000741622 [0,2,0,0,0,0|2,0,0]=4 35767 B14R1.520 CCCC(C)CSCc1ccncc1 62a_100011216630_100015193705 [0,2,0,0,0,0|2,0,0]=4 35768 B14R1.520 CCCC(C)CSCc1ccncc1 62a_100015193705_100011216630 [0,2,0,0,0,0|2,0,0]=4 35769 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000106460_100000766640 [0,2,0,0,0,0|1,0,0]=3 35770 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000741246_100000765856 [0,2,0,0,0,0|1,0,0]=3 35771 B14R1.520 CCCC(C)NCCc1ccccc1 270004a_100000106460_100000211909 [0,2,0,0,0,0|1,0,0]=3 35772 B14R1.520 CCCC(C)NCCc1ccccc1 34a_100000106460_100000766640 [0,2,0,0,0,0|1,0,0]=3 35773 B14R1.520 CCCC(C)NCCc1ccccn1 2230a_100000741246_100015183660 [0,2,0,0,0,0|2,0,0]=4 35774 B14R1.520 CCCC(C)NCCc1ccccn1 270004a_100000211156_100000211909 [0,2,0,0,0,0|2,0,0]=4 35775 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000736294_100000766640 [0,2,0,0,0,0|2,0,0]=4 35776 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000741246_200011713674 [0,2,0,0,0,0|2,0,0]=4 35777 B14R1.520 CCCC(C)NCCc1cccnc1 270004a_100000736294_100000211909 [0,2,0,0,0,0|2,0,0]=4 35778 B14R1.520 CCCC(C)NCCc1ccncc1 2230a_100000741246_100000723409 [0,2,0,0,0,0|2,0,0]=4 35779 B14R1.520 CCCC(C)NCCc1ccncc1 270004a_100000742849_100000211909 [0,2,0,0,0,0|2,0,0]=4 35780 B14R1.520 CCCC(C)NCSc1ccccc1 2230a_100000741246_100011218342 [0,2,0,0,0,0|2,0,0]=4 35781 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000210268_100000766640 [0,2,0,0,0,0|1,0,0]=3 35782 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000764384_100000765856 [0,2,0,0,0,0|1,0,0]=3 35783 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000210268_100000766640 [0,2,0,0,0,0|1,0,0]=3 35784 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000764384_100000765856 [0,2,0,0,0,0|1,0,0]=3 35785 B14R1.520 CCCC(C)OCCc1ccccn1 34a_100000210271_100000766640 [0,2,0,0,0,0|2,0,0]=4 35786 B14R1.520 CCCC(C)OCCc1ccccn1 7a_100000764384_100015183660 [0,2,0,0,0,0|2,0,0]=4 35787 B14R1.520 CCCC(C)OCCc1cccnc1 34a_100011217484_100000766640 [0,2,0,0,0,0|2,0,0]=4 35788 B14R1.520 CCCC(C)OCCc1cccnc1 7a_100000764384_200011713674 [0,2,0,0,0,0|2,0,0]=4 35789 B14R1.520 CCCC(C)OCCc1ccncc1 34a_100011216225_100000766640 [0,2,0,0,0,0|2,0,0]=4 35790 B14R1.520 CCCC(C)OCCc1ccncc1 7a_100000764384_100000723409 [0,2,0,0,0,0|2,0,0]=4 35791 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000765856_100000766640 [0,2,0,0,0,0|1,0,0]=3 35792 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000766640_100011218657 [0,2,0,0,0,0|1,0,0]=3 35793 B14R1.520 CCCC(C)SCCc1ccccn1 62a_100000766640_100015183660 [0,2,0,0,0,0|2,0,0]=4 35794 B14R1.520 CCCC(C)SCCc1ccccn1 62a_100015183660_100000766640 [0,2,0,0,0,0|2,0,0]=4 35795 B14R1.520 CCCC(C)SCCc1cccnc1 62a_100000766640_200011713674 [0,2,0,0,0,0|2,0,0]=4 35796 B14R1.520 CCCC(C)SCCc1cccnc1 62a_200011713674_100000766640 [0,2,0,0,0,0|2,0,0]=4 35797 B14R1.520 CCCC(C)SCCc1ccncc1 62a_100000723409_100000766640 [0,2,0,0,0,0|2,0,0]=4 35798 B14R1.520 CCCC(C)SCCc1ccncc1 62a_100000766640_100000723409 [0,2,0,0,0,0|2,0,0]=4 35799 B14R1.520 CCCC(C)SCSc1ccccc1 62a_100000766640_100011218342 [0,2,0,0,0,0|2,0,0]=4 35800 B14R1.520 CCCC(C)SCSc1ccccc1 62a_100011218342_100000766640 [0,2,0,0,0,0|2,0,0]=4 35801 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000693637_100000210303 [0,2,0,0,0,0|1,0,0]=3 35802 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000747261_100000211621 [0,2,0,0,0,0|1,0,0]=3 35803 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000693637_100000210303 [0,2,0,0,0,0|1,0,0]=3 35804 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000747261_100000211621 [0,2,0,0,0,0|1,0,0]=3 35805 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000184383_100000210303 [0,2,0,0,0,0|2,0,0]=4 35806 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000747261_100000184471 [0,2,0,0,0,0|2,0,0]=4 35807 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000184383_100000210303 [0,2,0,0,0,0|2,0,0]=4 35808 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000747261_100000184471 [0,2,0,0,0,0|2,0,0]=4 35809 B14R1.520 CCCN(C)CCOc1ccccc1 270004a_100000747261_100000758736 [0,2,0,0,0,0|2,0,0]=4 35810 B14R1.520 CCCN(C)CCSc1ccccc1 2230a_100000747261_100000246102 [0,2,0,0,0,0|2,0,0]=4 35811 B14R1.520 CCCN(C)CCSc1ccccc1 269982a_100000747261_100000246102 [0,2,0,0,0,0|2,0,0]=4 35812 B14R1.520 CCCN(C)COCc1ccccc1 2230a_100000747261_100000763385 [0,2,0,0,0,0|2,0,0]=4 35813 B14R1.520 CCCN(C)CSCc1ccccc1 2230a_100000747261_200011217039 [0,2,0,0,0,0|2,0,0]=4 35814 B14R1.520 CCCN(C)CSCc1ccccc1 269982a_100000747261_200011217039 [0,2,0,0,0,0|2,0,0]=4 35815 B14R1.520 CCC[C@H](N)COCc1ccccc1 34a_100000732646_100015291786 [0,2,0,0,0,0|1,0,0]=3 35816 B14R1.520 CCC[C@H](N)COCc1ccccn1 34a_100000732646_100000721315 [0,2,0,0,0,0|2,0,0]=4 35817 B14R1.520 CCC[C@H](N)COCc1cccnc1 34a_100000732646_100000733263 [0,2,0,0,0,0|2,0,0]=4 35818 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [0,2,0,0,0,0|1,0,1]=4 35819 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [0,2,0,0,0,0|1,0,1]=4 35820 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [0,2,0,0,0,0|1,0,1]=4 35821 B14R1.520 CCNC(C)CCCc1ccccc1 2230a_100015525214_200010759516 [0,2,0,0,0,0|1,0,0]=3 35822 B14R1.520 CCNC(C)COCc1ccccc1 270004a_100015525214_100011215004 [0,2,0,0,0,0|2,0,0]=4 35823 B14R1.520 CCNC(C)CSCc1ccccc1 270004a_100015525214_100000172147 [0,2,0,0,0,0|2,0,0]=4 35824 B14R1.520 CCOC(C)CCCc1ccccc1 34a_100121572206_200010759516 [0,2,0,0,0,0|1,0,0]=3 35825 B14R1.520 CCOC(C)COCc1ccccc1 34a_100000764311_100000210202 [0,2,0,0,0,0|2,0,0]=4 35826 B14R1.520 CCOC(C)COCc1ccccc1 7a_100000764311_100000210202 [0,2,0,0,0,0|2,0,0]=4 35827 B14R1.520 CCSC(C)CCCc1ccccc1 62a_100000210202_200010759516 [0,2,0,0,0,0|1,0,0]=3 35828 B14R1.520 CCSC(C)CCCc1ccccc1 62a_200010759516_100000210202 [0,2,0,0,0,0|1,0,0]=3 35829 B14R1.520 CN(C/C=C/c1ccccc1)CCO 2230a_100000210263_100016265936 [0,2,0,0,0,0|0,0,2]=4 35830 B14R1.520 CN(C/C=C/c1ccccc1)CCO 2230a_100020603566_200000210301 [0,2,0,0,0,0|0,0,2]=4 35831 B14R1.520 CN(C/C=C/c1ccccc1)CCO 269982a_100000210263_100016265936 [0,2,0,0,0,0|0,0,2]=4 35832 B14R1.520 CN(C/C=C/c1ccccc1)CCO 269982a_100020603566_200000210301 [0,2,0,0,0,0|0,0,2]=4 35833 B14R1.520 CN(C/C=C/c1ccccc1)CCO 34a_100020603566_200000210301 [0,2,0,0,0,0|0,0,2]=4 35834 B14R1.520 CN(CC#Cc1ccccc1)CCO 2230a_100000210263_100011352542 [0,2,0,0,0,0|0,0,2]=4 35835 B14R1.520 CN(CC#Cc1ccccc1)CCO 269982a_100000210263_100011352542 [0,2,0,0,0,0|0,0,2]=4 35836 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000693637_100011215382 [0,2,0,0,0,0|1,0,1]=4 35837 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000748184_100000211621 [0,2,0,0,0,0|1,0,1]=4 35838 B14R1.520 CN(CC#N)CCCc1ccccc1 269982a_100000693637_100011214920 [0,2,0,0,0,0|1,0,1]=4 35839 B14R1.520 CN(CC=Cc1ccccc1)CCO 270004a_100000210263_100000210105 [0,2,0,0,0,0|0,0,2]=4 35840 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [0,2,0,0,0,0|0,0,2]=4 35841 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [0,2,0,0,0,0|0,0,2]=4 35842 B14R1.520 CN(CCF)CCCc1ccccc1 2230a_100000693637_100011217306 [0,2,0,0,0,0|1,0,0]=3 35843 B14R1.520 CN(CCF)CCCc1ccccc1 269982a_100000693637_100011217306 [0,2,0,0,0,0|1,0,0]=3 35844 B14R1.520 CN(CCF)CCOc1ccccc1 2230a_100000184383_100011217306 [0,2,0,0,0,0|2,0,0]=4 35845 B14R1.520 CN(CCF)CCOc1ccccc1 269982a_100000184383_100011217306 [0,2,0,0,0,0|2,0,0]=4 35846 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000210263_100000211621 [0,2,0,0,0,0|0,0,0]=2 35847 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000693637_100000211926 [0,2,0,0,0,0|0,0,0]=2 35848 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000210263_100000211621 [0,2,0,0,0,0|0,0,0]=2 35849 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000693637_100000211926 [0,2,0,0,0,0|0,0,0]=2 35850 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000184383_100000211926 [0,2,0,0,0,0|1,0,0]=3 35851 B14R1.520 CN(CCO)CCOc1ccccc1 2230a_100000210263_100000184471 [0,2,0,0,0,0|1,0,0]=3 35852 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000184383_100000211926 [0,2,0,0,0,0|1,0,0]=3 35853 B14R1.520 CN(CCO)CCOc1ccccc1 269982a_100000210263_100000184471 [0,2,0,0,0,0|1,0,0]=3 35854 B14R1.520 CN(CCO)CCOc1ccccc1 270004a_100000210263_100000758736 [0,2,0,0,0,0|1,0,0]=3 35855 B14R1.520 CN(CCO)CCSc1ccccc1 2230a_100000210263_100000246102 [0,2,0,0,0,0|1,0,0]=3 35856 B14R1.520 CN(CCO)CCSc1ccccc1 269982a_100000210263_100000246102 [0,2,0,0,0,0|1,0,0]=3 35857 B14R1.520 CN(CCO)COCc1ccccc1 2230a_100000210263_100000763385 [0,2,0,0,0,0|1,0,0]=3 35858 B14R1.520 CN(CCO)CSCc1ccccc1 2230a_100000210263_200011217039 [0,2,0,0,0,0|1,0,0]=3 35859 B14R1.520 CN(CCO)CSCc1ccccc1 269982a_100000210263_200011217039 [0,2,0,0,0,0|1,0,0]=3 35860 B14R1.520 CNCC(C)COCc1ccccc1 2230a_106832991635_100011216253 [0,2,0,0,0,0|2,0,0]=4 35861 B14R1.520 CNCC(C)COCc1ccccc1 34a_100102657272_100011216253 [0,2,0,0,0,0|2,0,0]=4 35862 B14R1.520 CNCC(C)COCc1ccccc1 7a_106832991635_100011216253 [0,2,0,0,0,0|2,0,0]=4 35863 B14R1.520 COCC(=O)CCCc1ccccc1 1458a_100000210968_100000211621 [0,2,0,0,0,0|0,0,1]=3 35864 B14R1.520 COCC(=O)CCOc1ccccc1 1458a_100000210968_100000184471 [0,2,0,0,0,0|1,0,1]=4 35865 B14R1.520 COCC(=O)CCSc1ccccc1 1458a_100000210968_100000246102 [0,2,0,0,0,0|1,0,1]=4 35866 B14R1.520 COCC(=O)CSCc1ccccc1 1458a_100000210968_200011217039 [0,2,0,0,0,0|1,0,1]=4 35867 B14R1.520 COCC(=O)NCCc1ccccc1 11a_100000106460_100000210968 [0,2,0,0,0,0|1,0,1]=4 35868 B14R1.520 COCC(=O)NCCc1ccccc1 1626a_100000106460_100000210968 [0,2,0,0,0,0|1,0,1]=4 35869 B14R1.520 COCC(=O)NCCc1ccccc1 240690a_100000106460_100000210968 [0,2,0,0,0,0|1,0,1]=4 35870 B14R1.520 COCC(=O)NCCc1ccccc1 34a_100138415774_100000183012 [0,2,0,0,0,0|1,0,1]=4 35871 B14R1.520 COCC(=O)NCCc1ccccc1 527a_100000106460_100000210968 [0,2,0,0,0,0|1,0,1]=4 35872 B14R1.520 COCC(=O)OCCc1ccccc1 34a_100138415774_200000077782 [0,2,0,0,0,0|1,0,1]=4 35873 B14R1.520 COCC(C)CNCc1ccccc1 34a_100015184949_200000210301 [0,2,0,0,0,0|1,0,0]=3 35874 B14R1.520 COCC(C)COCc1ccccc1 34a_100138415774_100011216253 [0,2,0,0,0,0|1,0,0]=3 35875 B14R1.520 COCC(C)COCc1ccccc1 34a_200011216033_200000210301 [0,2,0,0,0,0|1,0,0]=3 35876 B14R1.520 COCC(C)COCc1ccccc1 7a_200011216033_200000210301 [0,2,0,0,0,0|1,0,0]=3 35877 B14R1.520 COCC(C)NCCc1ccccc1 2230a_100000106460_100000765312 [0,2,0,0,0,0|1,0,0]=3 35878 B14R1.520 COCC(C)NCCc1ccccc1 270004a_100000106460_100000749346 [0,2,0,0,0,0|1,0,0]=3 35879 B14R1.520 COCC(C)NCCc1ccccc1 34a_100000106460_100000765312 [0,2,0,0,0,0|1,0,0]=3 35880 B14R1.520 COCC(C)NCCc1ccccn1 270004a_100000211156_100000749346 [0,2,0,0,0,0|2,0,0]=4 35881 B14R1.520 COCC(C)NCCc1cccnc1 2230a_100000736294_100000765312 [0,2,0,0,0,0|2,0,0]=4 35882 B14R1.520 COCC(C)NCCc1cccnc1 270004a_100000736294_100000749346 [0,2,0,0,0,0|2,0,0]=4 35883 B14R1.520 COCC(C)NCCc1ccncc1 270004a_100000742849_100000749346 [0,2,0,0,0,0|2,0,0]=4 35884 B14R1.520 COCC(C)OCCc1ccccc1 34a_100000210268_100000765312 [0,2,0,0,0,0|1,0,0]=3 35885 B14R1.520 COCC(C)OCCc1ccccc1 7a_100000210268_100000765312 [0,2,0,0,0,0|1,0,0]=3 35886 B14R1.520 COCC(C)OCCc1ccccn1 34a_100000210271_100000765312 [0,2,0,0,0,0|2,0,0]=4 35887 B14R1.520 COCC(C)OCCc1cccnc1 34a_100011217484_100000765312 [0,2,0,0,0,0|2,0,0]=4 35888 B14R1.520 COCC(C)OCCc1ccncc1 34a_100011216225_100000765312 [0,2,0,0,0,0|2,0,0]=4 35889 B14R1.520 COCC(C)SCCc1ccccc1 62a_100000765312_100011218657 [0,2,0,0,0,0|1,0,0]=3 35890 B14R1.520 COCC(C)SCCc1ccccc1 62a_100000765856_100000765312 [0,2,0,0,0,0|1,0,0]=3 35891 B14R1.520 COCC(C)SCCc1ccccn1 62a_100000765312_100015183660 [0,2,0,0,0,0|2,0,0]=4 35892 B14R1.520 COCC(C)SCCc1ccccn1 62a_100015183660_100000765312 [0,2,0,0,0,0|2,0,0]=4 35893 B14R1.520 COCC(C)SCCc1cccnc1 62a_100000765312_200011713674 [0,2,0,0,0,0|2,0,0]=4 35894 B14R1.520 COCC(C)SCCc1cccnc1 62a_200011713674_100000765312 [0,2,0,0,0,0|2,0,0]=4 35895 B14R1.520 COCC(C)SCCc1ccncc1 62a_100000723409_100000765312 [0,2,0,0,0,0|2,0,0]=4 35896 B14R1.520 COCC(C)SCCc1ccncc1 62a_100000765312_100000723409 [0,2,0,0,0,0|2,0,0]=4 35897 B14R1.520 COCC(C)SCSc1ccccc1 62a_100000765312_100011218342 [0,2,0,0,0,0|2,0,0]=4 35898 B14R1.520 COCC(C)SCSc1ccccc1 62a_100011218342_100000765312 [0,2,0,0,0,0|2,0,0]=4 35899 B14R1.520 COCC(N)COCc1ccccc1 34a_100000724102_100015291786 [0,2,0,0,0,0|1,0,0]=3 35900 B14R1.520 COCC(N)COCc1ccccn1 34a_100000724102_100000721315 [0,2,0,0,0,0|2,0,0]=4 35901 B14R1.520 COCC(N)COCc1cccnc1 34a_100000724102_100000733263 [0,2,0,0,0,0|2,0,0]=4 35902 B14R1.520 COCC(O)CNCc1ccccc1 207a_100000756049_100015611070 [0,2,0,0,0,0|1,0,0]=3 35903 B14R1.520 COCC(O)CNCc1ccccc1 2230a_100000756049_100015291786 [0,2,0,0,0,0|1,0,0]=3 35904 B14R1.520 COCC(O)CNCc1ccccc1 270004a_100000756049_100015611070 [0,2,0,0,0,0|1,0,0]=3 35905 B14R1.520 COCC(O)CNCc1ccccc1 34a_100000756049_100015291786 [0,2,0,0,0,0|1,0,0]=3 35906 B14R1.520 COCC(O)CNCc1ccccc1 34a_100015324214_100011215053 [0,2,0,0,0,0|1,0,0]=3 35907 B14R1.520 COCC(O)CNCc1ccccn1 207a_100000756049_100000209966 [0,2,0,0,0,0|2,0,0]=4 35908 B14R1.520 COCC(O)CNCc1ccccn1 2230a_100000756049_100000721315 [0,2,0,0,0,0|2,0,0]=4 35909 B14R1.520 COCC(O)CNCc1ccccn1 270004a_100000756049_100000209966 [0,2,0,0,0,0|2,0,0]=4 35910 B14R1.520 COCC(O)CNCc1ccccn1 34a_100000756049_100000721315 [0,2,0,0,0,0|2,0,0]=4 35911 B14R1.520 COCC(O)CNCc1cccnc1 207a_100000756049_100000209961 [0,2,0,0,0,0|2,0,0]=4 35912 B14R1.520 COCC(O)CNCc1cccnc1 2230a_100000756049_100000741622 [0,2,0,0,0,0|2,0,0]=4 35913 B14R1.520 COCC(O)CNCc1cccnc1 270004a_100000756049_100000209961 [0,2,0,0,0,0|2,0,0]=4 35914 B14R1.520 COCC(O)CNCc1cccnc1 34a_100000756049_100000733263 [0,2,0,0,0,0|2,0,0]=4 35915 B14R1.520 COCC(O)CNCc1ccncc1 207a_100000756049_100000186114 [0,2,0,0,0,0|2,0,0]=4 35916 B14R1.520 COCC(O)CNCc1ccncc1 2230a_100000756049_100015193705 [0,2,0,0,0,0|2,0,0]=4 35917 B14R1.520 COCC(O)COCc1ccccc1 34a_100000210790_100011215053 [0,2,0,0,0,0|1,0,0]=3 35918 B14R1.520 COCC(O)COCc1ccccc1 7a_100000210790_100011215053 [0,2,0,0,0,0|1,0,0]=3 35919 B14R1.520 COCC(O)CSCc1ccccc1 62a_100000211182_100011215053 [0,2,0,0,0,0|1,0,0]=3 35920 B14R1.520 COCC(O)CSCc1ccccc1 62a_100011215053_100015291786 [0,2,0,0,0,0|1,0,0]=3 35921 B14R1.520 COCC(O)CSCc1ccccn1 62a_100000721315_100011215053 [0,2,0,0,0,0|2,0,0]=4 35922 B14R1.520 COCC(O)CSCc1ccccn1 62a_100011215053_100000721315 [0,2,0,0,0,0|2,0,0]=4 35923 B14R1.520 COCC(O)CSCc1cccnc1 62a_100000741622_100011215053 [0,2,0,0,0,0|2,0,0]=4 35924 B14R1.520 COCC(O)CSCc1cccnc1 62a_100011215053_100000741622 [0,2,0,0,0,0|2,0,0]=4 35925 B14R1.520 COCC(O)CSCc1ccncc1 62a_100011215053_100015193705 [0,2,0,0,0,0|2,0,0]=4 35926 B14R1.520 COCC(O)CSCc1ccncc1 62a_100015193705_100011215053 [0,2,0,0,0,0|2,0,0]=4 35927 B14R1.520 COCN(C)CCCc1ccccc1 2230a_100000693637_100000766300 [0,2,0,0,0,0|1,0,0]=3 35928 B14R1.520 COCN(C)CCCc1ccccc1 269982a_100000693637_100000766300 [0,2,0,0,0,0|1,0,0]=3 35929 B14R1.520 COCN(C)CCOc1ccccc1 2230a_100000184383_100000766300 [0,2,0,0,0,0|2,0,0]=4 35930 B14R1.520 COCN(C)CCOc1ccccc1 269982a_100000184383_100000766300 [0,2,0,0,0,0|2,0,0]=4 35931 B14R1.520 COC[C@@H](C)NCCc1ccccc1 2230a_100000764878_100000765856 [0,2,0,0,0,0|1,0,0]=3 35932 B14R1.520 COC[C@@H](C)NCCc1ccccn1 2230a_100000764878_100015183660 [0,2,0,0,0,0|2,0,0]=4 35933 B14R1.520 COC[C@@H](C)NCCc1cccnc1 2230a_100000764878_200011713674 [0,2,0,0,0,0|2,0,0]=4 35934 B14R1.520 COC[C@@H](C)NCCc1ccncc1 2230a_100000764878_100000723409 [0,2,0,0,0,0|2,0,0]=4 35935 B14R1.520 COC[C@@H](C)NCSc1ccccc1 2230a_100000764878_100011218342 [0,2,0,0,0,0|2,0,0]=4 35936 B14R1.520 COC[C@@H](C)OCCc1ccccc1 34a_100011934205_100000765856 [0,2,0,0,0,0|1,0,0]=3 35937 B14R1.520 COC[C@@H](N)COCc1ccccc1 34a_100016995297_200000210301 [0,2,0,0,0,0|1,0,0]=3 35938 B14R1.520 CSCC(=O)CCCc1ccccc1 1458a_100000184570_100000211621 [0,2,0,0,0,0|0,1,1]=4 35939 B14R1.520 CSCC(C)COCc1ccccc1 62a_100011216253_200000210301 [0,2,0,0,0,0|1,1,0]=4 35940 B14R1.520 CSCC(C)COCc1ccccc1 62a_200000210301_100011216253 [0,2,0,0,0,0|1,1,0]=4 35941 B14R1.520 CSCC(C)NCCc1ccccc1 270004a_100000106460_100011216314 [0,2,0,0,0,0|1,1,0]=4 35942 B14R1.520 CSCN(C)CCCc1ccccc1 2230a_100000693637_100011218213 [0,2,0,0,0,0|1,1,0]=4 35943 B14R1.520 CSCN(C)CCCc1ccccc1 269982a_100000693637_100011218213 [0,2,0,0,0,0|1,1,0]=4 35944 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [0,2,0,0,0,0|1,0,1]=4 35945 B14R1.520 C[C@H](CCO)NCCc1ccccc1 2230a_100000706166_100000765856 [0,2,0,0,0,0|0,0,0]=2 35946 B14R1.520 C[C@H](CCO)NCCc1ccccc1 34a_100000706166_100000765856 [0,2,0,0,0,0|0,0,0]=2 35947 B14R1.520 C[C@H](CCO)NCCc1ccccn1 2230a_100000706166_100015183660 [0,2,0,0,0,0|1,0,0]=3 35948 B14R1.520 C[C@H](CCO)NCCc1cccnc1 2230a_100000706166_200011713674 [0,2,0,0,0,0|1,0,0]=3 35949 B14R1.520 C[C@H](CCO)NCCc1ccncc1 2230a_100000706166_100000723409 [0,2,0,0,0,0|1,0,0]=3 35950 B14R1.520 C[C@H](CCO)NCSc1ccccc1 2230a_100000706166_100011218342 [0,2,0,0,0,0|1,0,0]=3 35951 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100011207963_100011214920 [0,2,0,0,0,0|1,0,1]=4 35952 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100051588842_100000211621 [0,2,0,0,0,0|1,0,1]=4 35953 B14R1.520 N#CC[C@H](O)CNCc1ccccc1 2230a_100015324214_100000001066 [0,2,0,0,0,0|1,0,1]=4 35954 B14R1.520 N#CC[C@H](O)COCc1ccccc1 7a_100000210790_100000001066 [0,2,0,0,0,0|1,0,1]=4 35955 B14R1.520 N#CC[C@H](O)CSCc1ccccc1 62a_100000001066_100015291786 [0,2,0,0,0,0|1,0,1]=4 35956 B14R1.520 N#CC[C@H](O)CSCc1ccccc1 62a_100000211182_100000001066 [0,2,0,0,0,0|1,0,1]=4 35957 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [0,2,0,0,0,0|0,0,2]=4 35958 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [0,2,0,0,0,0|0,0,2]=4 35959 B14R1.520 O=C(CC#Cc1ccccc1)CCO 1458a_100011216618_100011352542 [0,2,0,0,0,0|0,0,2]=4 35960 B14R1.520 O=C(CCF)CCCc1ccccc1 1458a_100011207963_100011217306 [0,2,0,0,0,0|1,0,0]=3 35961 B14R1.520 O=C(CCF)CCCc1ccccn1 1458a_100000752327_100011217306 [0,2,0,0,0,0|2,0,0]=4 35962 B14R1.520 O=C(CCF)CCCc1ccncc1 1458a_100020654287_100011217306 [0,2,0,0,0,0|2,0,0]=4 35963 B14R1.520 O=C(CCF)CCOc1ccccc1 1458a_100000182761_100011217306 [0,2,0,0,0,0|1,0,1]=4 35964 B14R1.520 O=C(CCF)CCSc1ccccc1 1458a_100000182436_100011217306 [0,2,0,0,0,0|1,0,1]=4 35965 B14R1.520 O=C(CCF)COCc1ccccc1 1458a_100000230186_100011217306 [0,2,0,0,0,0|1,0,1]=4 35966 B14R1.520 O=C(CCF)CSCc1ccccc1 1458a_100000150264_100011217306 [0,2,0,0,0,0|1,0,1]=4 35967 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011207963_100000211926 [0,2,0,0,0,0|0,0,0]=2 35968 B14R1.520 O=C(CCO)CCCc1ccccc1 1458a_100011216618_100000211621 [0,2,0,0,0,0|0,0,0]=2 35969 B14R1.520 O=C(CCO)CCCc1ccccn1 1458a_100000752327_100000211926 [0,2,0,0,0,0|1,0,0]=3 35970 B14R1.520 O=C(CCO)CCCc1ccncc1 1458a_100020654287_100000211926 [0,2,0,0,0,0|1,0,0]=3 35971 B14R1.520 O=C(CCO)CCOc1ccccc1 1458a_100000182761_100000211926 [0,2,0,0,0,0|0,0,1]=3 35972 B14R1.520 O=C(CCO)CCOc1ccccc1 1458a_100011216618_100000184471 [0,2,0,0,0,0|0,0,1]=3 35973 B14R1.520 O=C(CCO)CCSc1ccccc1 1458a_100000182436_100000211926 [0,2,0,0,0,0|0,0,1]=3 35974 B14R1.520 O=C(CCO)CCSc1ccccc1 1458a_100011216618_100000246102 [0,2,0,0,0,0|0,0,1]=3 35975 B14R1.520 O=C(CCO)COCc1ccccc1 1458a_100000230186_100000211926 [0,2,0,0,0,0|0,0,1]=3 35976 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100000150264_100000211926 [0,2,0,0,0,0|0,0,1]=3 35977 B14R1.520 O=C(CCO)CSCc1ccccc1 1458a_100011216618_200011217039 [0,2,0,0,0,0|0,0,1]=3 35978 B14R1.520 O=C(CCO)CSCc1ccccn1 1458a_100000742634_100000211926 [0,2,0,0,0,0|1,0,1]=4 35979 B14R1.520 O=C(CCO)NCCc1ccccc1 240690a_100000106460_100011216618 [0,2,0,0,0,0|0,0,1]=3 35980 B14R1.520 O=C(CCO)NCCc1ccccn1 240690a_100000211156_100011216618 [0,2,0,0,0,0|1,0,1]=4 35981 B14R1.520 O=C(CCO)NCCc1cccnc1 240690a_100000736294_100011216618 [0,2,0,0,0,0|1,0,1]=4 35982 B14R1.520 O=C(CCO)NCCc1ccncc1 240690a_100000742849_100011216618 [0,2,0,0,0,0|1,0,1]=4 35983 B14R1.520 O=C(CCO)NNCc1ccccc1 22a_100000007032_100011216618 [0,2,0,0,0,0|1,0,1]=4 35984 B14R1.520 O=C(CNCc1ccccc1)NCO 2230a_100015324214_100000185155 [0,2,0,0,0,0|1,0,1]=4 35985 B14R1.520 O=C(CNCc1ccccc1)NCO 34a_100015324214_100000185155 [0,2,0,0,0,0|1,0,1]=4 35986 B14R1.520 O=C(COCc1ccccc1)NCO 34a_100000210790_100000185155 [0,2,0,0,0,0|1,0,1]=4 35987 B14R1.520 O=C(COCc1ccccc1)NCO 7a_100000210790_100000185155 [0,2,0,0,0,0|1,0,1]=4 35988 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000185155_100015291786 [0,2,0,0,0,0|1,0,1]=4 35989 B14R1.520 O=C(CSCc1ccccc1)NCO 62a_100000211182_100000185155 [0,2,0,0,0,0|1,0,1]=4 35990 B14R1.520 [13CH3]N(C/C=C/c1ccccc1)CCO 2230a_100020603566_200025704644 [0,2,0,0,0,0|0,0,2]=4 35991 B14R1.520 [13CH3]N(C/C=C/c1ccccc1)CCO 269982a_100020603566_200025704644 [0,2,0,0,0,0|0,0,2]=4 35992 B14R1.520 [13CH3]N(C/C=C/c1ccccc1)CCO 34a_100020603566_200025704644 [0,2,0,0,0,0|0,0,2]=4 35993 B14R1.520 [13CH3]OC[C@@H](N)COCc1ccccc1 34a_100016995297_200025704644 [0,2,0,0,0,0|1,0,0]=3 35994 B14R1.716 C#CC(=O)CCCCc1ccccc1 1458a_100000211873_100000701786 [0,2,0,0,0,0|0,0,2]=4 35995 B14R1.716 C#CC(C)NCCCc1ccccc1 2230a_100000707721_100000211621 [0,2,0,0,0,0|1,0,1]=4 35996 B14R1.716 C#CC(C)NCCCc1ccccc1 34a_100000211184_200000035995 [0,2,0,0,0,0|1,0,1]=4 35997 B14R1.716 C#CC(C)NCCCc1ccccc1 34a_100000707721_100000211621 [0,2,0,0,0,0|1,0,1]=4 35998 B14R1.716 C#CC(C)OCCCc1ccccc1 34a_100000210828_200000035995 [0,2,0,0,0,0|1,0,1]=4 35999 B14R1.716 C#CC(C)SCCCc1ccccc1 62a_200000035995_100000211621 [0,2,0,0,0,0|1,0,1]=4 36000 B14R1.716 C#C[C@@H](C)OCCCc1ccccc1 34a_100009815206_100000211621 [0,2,0,0,0,0|1,0,1]=4 36001 B14R1.716 C#C[C@@H](C)OCCCc1ccccc1 7a_100009815206_100000211621 [0,2,0,0,0,0|1,0,1]=4 36002 B14R1.716 C=CC(=O)CCCCc1ccccc1 1458a_100000185746_100000701786 [0,2,0,0,0,0|0,0,2]=4 36003 B14R1.716 C=CC(C)COCCc1ccccc1 34a_100011215527_100000765856 [0,2,0,0,0,0|1,0,1]=4 36004 B14R1.716 C=CC(C)COCCc1ccccc1 7a_100011215527_100000765856 [0,2,0,0,0,0|1,0,1]=4 36005 B14R1.716 C=CC(C)OCCCc1ccccc1 34a_100000695699_100000211621 [0,2,0,0,0,0|1,0,1]=4 36006 B14R1.716 C=CC(C)SCCCc1ccccc1 62a_100011215867_100000211621 [0,2,0,0,0,0|1,0,1]=4 36007 B14R1.716 C=CC(O)CNCCc1ccccc1 2230a_100000106460_100000730141 [0,2,0,0,0,0|1,0,0]=3 36008 B14R1.716 C=CC(O)CNCCc1ccccc1 34a_100000106460_100000730141 [0,2,0,0,0,0|1,0,0]=3 36009 B14R1.716 C=CC(O)CNCCc1cccnc1 2230a_100000736294_100000730141 [0,2,0,0,0,0|2,0,0]=4 36010 B14R1.716 C=CC(O)COCCc1ccccc1 34a_100000210268_100000730141 [0,2,0,0,0,0|1,0,0]=3 36011 B14R1.716 C=CC(O)COCCc1ccccc1 7a_100000210268_100000730141 [0,2,0,0,0,0|1,0,0]=3 36012 B14R1.716 C=CC(O)COCCc1ccccn1 34a_100000210271_100000730141 [0,2,0,0,0,0|2,0,0]=4 36013 B14R1.716 C=CC(O)COCCc1cccnc1 34a_100011217484_100000730141 [0,2,0,0,0,0|2,0,0]=4 36014 B14R1.716 C=CC(O)COCCc1ccncc1 34a_100011216225_100000730141 [0,2,0,0,0,0|2,0,0]=4 36015 B14R1.716 C=CC(O)CSCCc1ccccc1 62a_100000730141_100011218657 [0,2,0,0,0,0|1,0,0]=3 36016 B14R1.716 C=CC(O)CSCCc1ccccc1 62a_100000765856_100000730141 [0,2,0,0,0,0|1,0,0]=3 36017 B14R1.716 C=CC(O)CSCCc1ccccn1 62a_100000730141_100015183660 [0,2,0,0,0,0|2,0,0]=4 36018 B14R1.716 C=CC(O)CSCCc1ccccn1 62a_100015183660_100000730141 [0,2,0,0,0,0|2,0,0]=4 36019 B14R1.716 C=CC(O)CSCCc1cccnc1 62a_100000730141_200011713674 [0,2,0,0,0,0|2,0,0]=4 36020 B14R1.716 C=CC(O)CSCCc1cccnc1 62a_200011713674_100000730141 [0,2,0,0,0,0|2,0,0]=4 36021 B14R1.716 C=CC(O)CSCCc1ccncc1 62a_100000723409_100000730141 [0,2,0,0,0,0|2,0,0]=4 36022 B14R1.716 C=CC(O)CSCCc1ccncc1 62a_100000730141_100000723409 [0,2,0,0,0,0|2,0,0]=4 36023 B14R1.716 C=CC(O)CSCSc1ccccc1 62a_100000730141_100011218342 [0,2,0,0,0,0|2,0,0]=4 36024 B14R1.716 C=CC(O)CSCSc1ccccc1 62a_100011218342_100000730141 [0,2,0,0,0,0|2,0,0]=4 36025 B14R1.716 C=C[C@H](N)COCCc1ccccc1 34a_100016989147_100000765856 [0,2,0,0,0,0|1,0,1]=4 36026 B14R1.716 CC(=NNCCc1ccccc1)CO 4a_100000740470_100000211253 [0,2,0,0,0,0|1,0,1]=4 36027 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000211184_100000184139 [0,2,0,0,0,0|1,0,1]=4 36028 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000737613_100000211621 [0,2,0,0,0,0|1,0,1]=4 36029 B14R1.716 CC(C#N)OCCCc1ccccc1 34a_100011218135_100000211621 [0,2,0,0,0,0|1,0,1]=4 36030 B14R1.716 CC(C#N)OCCCc1ccccc1 7a_100000210828_100000703298 [0,2,0,0,0,0|1,0,1]=4 36031 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000211621_100000703298 [0,2,0,0,0,0|1,0,1]=4 36032 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000703298_100000211621 [0,2,0,0,0,0|1,0,1]=4 36033 B14R1.716 CC(CF)OCCCc1ccccc1 34a_100016041109_100000211621 [0,2,0,0,0,0|1,0,0]=3 36034 B14R1.716 CC(CF)OCCCc1ccccc1 7a_100016041109_100000211621 [0,2,0,0,0,0|1,0,0]=3 36035 B14R1.716 CC(CF)OCCOc1ccccc1 34a_100016041109_100000184471 [0,2,0,0,0,0|2,0,0]=4 36036 B14R1.716 CC(CF)OCCOc1ccccc1 7a_100016041109_100000184471 [0,2,0,0,0,0|2,0,0]=4 36037 B14R1.716 CC(CF)OCCSc1ccccc1 34a_100016041109_100000246102 [0,2,0,0,0,0|2,0,0]=4 36038 B14R1.716 CC(CF)OCCSc1ccccc1 7a_100016041109_100000246102 [0,2,0,0,0,0|2,0,0]=4 36039 B14R1.716 CC(CF)OCOCc1ccccc1 34a_100016041109_100000763385 [0,2,0,0,0,0|2,0,0]=4 36040 B14R1.716 CC(CF)OCSCc1ccccc1 34a_100016041109_200011217039 [0,2,0,0,0,0|2,0,0]=4 36041 B14R1.716 CC(CN)COCCc1ccccc1 34a_100000744482_100000765856 [0,2,0,0,0,0|1,0,0]=3 36042 B14R1.716 CC(CN)OCCCc1ccccc1 34a_100000210904_100000211621 [0,2,0,0,0,0|1,0,0]=3 36043 B14R1.716 CC(CN)OCCOc1ccccc1 34a_100000210904_100000184471 [0,2,0,0,0,0|2,0,0]=4 36044 B14R1.716 CC(CN)OCCSc1ccccc1 34a_100000210904_100000246102 [0,2,0,0,0,0|2,0,0]=4 36045 B14R1.716 CC(CN)OCOCc1ccccc1 34a_100000210904_100000763385 [0,2,0,0,0,0|2,0,0]=4 36046 B14R1.716 CC(CN)OCSCc1ccccc1 34a_100000210904_200011217039 [0,2,0,0,0,0|2,0,0]=4 36047 B14R1.716 CC(CO)CCNCc1ccccc1 207a_106354213184_100015611070 [0,2,0,0,0,0|0,0,0]=2 36048 B14R1.716 CC(CO)CCNCc1ccccc1 2230a_106354213184_100015291786 [0,2,0,0,0,0|0,0,0]=2 36049 B14R1.716 CC(CO)CCNCc1ccccc1 270004a_106354213184_100015611070 [0,2,0,0,0,0|0,0,0]=2 36050 B14R1.716 CC(CO)CCNCc1ccccc1 34a_106354213184_100015291786 [0,2,0,0,0,0|0,0,0]=2 36051 B14R1.716 CC(CO)CCNCc1ccccn1 207a_106354213184_100000209966 [0,2,0,0,0,0|1,0,0]=3 36052 B14R1.716 CC(CO)CCNCc1ccccn1 2230a_106354213184_100000721315 [0,2,0,0,0,0|1,0,0]=3 36053 B14R1.716 CC(CO)CCNCc1ccccn1 270004a_106354213184_100000209966 [0,2,0,0,0,0|1,0,0]=3 36054 B14R1.716 CC(CO)CCNCc1ccccn1 34a_106354213184_100000721315 [0,2,0,0,0,0|1,0,0]=3 36055 B14R1.716 CC(CO)CCNCc1cccnc1 207a_106354213184_100000209961 [0,2,0,0,0,0|1,0,0]=3 36056 B14R1.716 CC(CO)CCNCc1cccnc1 2230a_106354213184_100000741622 [0,2,0,0,0,0|1,0,0]=3 36057 B14R1.716 CC(CO)CCNCc1cccnc1 270004a_106354213184_100000209961 [0,2,0,0,0,0|1,0,0]=3 36058 B14R1.716 CC(CO)CCNCc1cccnc1 34a_106354213184_100000733263 [0,2,0,0,0,0|1,0,0]=3 36059 B14R1.716 CC(CO)CCNCc1cccnn1 2230a_106354213184_100016990269 [0,2,0,0,0,0|2,0,0]=4 36060 B14R1.716 CC(CO)CCNCc1cccnn1 34a_106354213184_100016990269 [0,2,0,0,0,0|2,0,0]=4 36061 B14R1.716 CC(CO)CCNCc1ccncc1 207a_106354213184_100000186114 [0,2,0,0,0,0|1,0,0]=3 36062 B14R1.716 CC(CO)CCNCc1ccncc1 2230a_106354213184_100015193705 [0,2,0,0,0,0|1,0,0]=3 36063 B14R1.716 CC(CO)CCNCc1ccnnc1 270004a_106354213184_100011934578 [0,2,0,0,0,0|2,0,0]=4 36064 B14R1.716 CC(CO)CCNCc1cnccn1 2230a_106354213184_100016995436 [0,2,0,0,0,0|2,0,0]=4 36065 B14R1.716 CC(CO)CCNCc1cnccn1 270004a_106354213184_100000749867 [0,2,0,0,0,0|2,0,0]=4 36066 B14R1.716 CC(CO)CCNCc1cnccn1 34a_106354213184_100016995436 [0,2,0,0,0,0|2,0,0]=4 36067 B14R1.716 CC(CO)CCNCc1cncnc1 2230a_106354213184_100015196519 [0,2,0,0,0,0|2,0,0]=4 36068 B14R1.716 CC(CO)CCNCc1cncnc1 270004a_106354213184_100000749868 [0,2,0,0,0,0|2,0,0]=4 36069 B14R1.716 CC(CO)CCNCc1cncnc1 34a_106354213184_100015196519 [0,2,0,0,0,0|2,0,0]=4 36070 B14R1.716 CC(CO)CCNCc1ncccn1 2230a_106354213184_100000703007 [0,2,0,0,0,0|2,0,0]=4 36071 B14R1.716 CC(CO)CCNCc1ncccn1 270004a_106354213184_100011532527 [0,2,0,0,0,0|2,0,0]=4 36072 B14R1.716 CC(CO)CCNCc1ncccn1 34a_106354213184_100000703007 [0,2,0,0,0,0|2,0,0]=4 36073 B14R1.716 CC(CO)CNCCc1ccccc1 34a_100000744482_100000765856 [0,2,0,0,0,0|0,0,0]=2 36074 B14R1.716 CC(CO)NC/C=C/c1ccccc1 2230a_100020603302_100012180447 [0,2,0,0,0,0|0,0,2]=4 36075 B14R1.716 CC(CO)NC/C=C/c1ccccc1 34a_100020603302_100012180447 [0,2,0,0,0,0|0,0,2]=4 36076 B14R1.716 CC(CO)NCC#Cc1ccccc1 34a_100000735379_100012180447 [0,2,0,0,0,0|0,0,2]=4 36077 B14R1.716 CC(CO)NCCCc1ccccc1 2230a_100000211184_100012180447 [0,2,0,0,0,0|0,0,0]=2 36078 B14R1.716 CC(CO)NCCCc1ccccc1 34a_100000211184_100012180447 [0,2,0,0,0,0|0,0,0]=2 36079 B14R1.716 CC(CO)NCCCc1cccnc1 2230a_100011532358_100012180447 [0,2,0,0,0,0|1,0,0]=3 36080 B14R1.716 CC(CO)NCCCc1cccnc1 34a_100011532358_100012180447 [0,2,0,0,0,0|1,0,0]=3 36081 B14R1.716 CC(CO)NCCCc1ccncc1 2230a_100011275580_100012180447 [0,2,0,0,0,0|1,0,0]=3 36082 B14R1.716 CC(CO)NCCOc1ccccc1 2230a_100000174943_100012180447 [0,2,0,0,0,0|1,0,0]=3 36083 B14R1.716 CC(CO)NCCOc1ccccc1 34a_100000174943_100012180447 [0,2,0,0,0,0|1,0,0]=3 36084 B14R1.716 CC(CO)NCCOc1ccccn1 2230a_106741647558_100012180447 [0,2,0,0,0,0|2,0,0]=4 36085 B14R1.716 CC(CO)NCCOc1cccnc1 2230a_100000754688_100012180447 [0,2,0,0,0,0|2,0,0]=4 36086 B14R1.716 CC(CO)NCCSc1ccccc1 2230a_100000189519_100012180447 [0,2,0,0,0,0|1,0,0]=3 36087 B14R1.716 CC(CO)OC/C=C/c1ccccc1 34a_100000210256_100012180447 [0,2,0,0,0,0|0,0,2]=4 36088 B14R1.716 CC(CO)OCC#Cc1ccccc1 34a_100011217464_100012180447 [0,2,0,0,0,0|0,0,2]=4 36089 B14R1.716 CC(CO)OCC#Cc1ccccc1 7a_100011217464_100012180447 [0,2,0,0,0,0|0,0,2]=4 36090 B14R1.716 CC(CO)OCCCC1=CCC=CC1 34a_100020667889_100012180447 [0,2,0,0,0,0|0,0,2]=4 36091 B14R1.716 CC(CO)OCCCc1ccccc1 34a_100000210828_100012180447 [0,2,0,0,0,0|0,0,0]=2 36092 B14R1.716 CC(CO)OCCCc1ccccc1 7a_100000210828_100012180447 [0,2,0,0,0,0|0,0,0]=2 36093 B14R1.716 CC(CO)OCCCc1ccccn1 34a_100011215068_100012180447 [0,2,0,0,0,0|1,0,0]=3 36094 B14R1.716 CC(CO)OCCCc1cccnc1 34a_100000211284_100012180447 [0,2,0,0,0,0|1,0,0]=3 36095 B14R1.716 CC(CO)OCCCc1ccncc1 34a_100000210659_100012180447 [0,2,0,0,0,0|1,0,0]=3 36096 B14R1.716 CC(CO)OCCNc1ccccc1 34a_100000211345_100012180447 [0,2,0,0,0,0|1,0,0]=3 36097 B14R1.716 CC(CO)OCCNc1ccncc1 34a_200011243140_100012180447 [0,2,0,0,0,0|2,0,0]=4 36098 B14R1.716 CC(CO)OCCOc1ccccc1 34a_100000210260_100012180447 [0,2,0,0,0,0|1,0,0]=3 36099 B14R1.716 CC(CO)OCCOc1ccccc1 7a_100000210260_100012180447 [0,2,0,0,0,0|1,0,0]=3 36100 B14R1.716 CC(CO)OCCSc1ccccc1 7a_100000230494_100012180447 [0,2,0,0,0,0|1,0,0]=3 36101 B14R1.716 CC(CO)OCCSc1ccccn1 7a_100000156319_100012180447 [0,2,0,0,0,0|2,0,0]=4 36102 B14R1.716 CC(CO)SC/C=C/c1ccccc1 62a_100012180447_100016265936 [0,2,0,0,0,0|0,0,2]=4 36103 B14R1.716 CC(CO)SCC#Cc1ccccc1 62a_100012180447_100011352542 [0,2,0,0,0,0|0,0,2]=4 36104 B14R1.716 CC(CO)SCCCc1ccccc1 62a_100012180447_100000211621 [0,2,0,0,0,0|0,0,0]=2 36105 B14R1.716 CC(CO)SCCOc1ccccc1 62a_100012180447_100000184471 [0,2,0,0,0,0|1,0,0]=3 36106 B14R1.716 CC(CO)SCCSc1ccccc1 62a_100012180447_100000246102 [0,2,0,0,0,0|1,0,0]=3 36107 B14R1.716 CC(CO)SCOCc1ccccc1 62a_100012180447_100000763385 [0,2,0,0,0,0|1,0,0]=3 36108 B14R1.716 CC(CO)SCSCc1ccccc1 62a_100012180447_200011217039 [0,2,0,0,0,0|1,0,0]=3 36109 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100000210414_100000701786 [0,2,0,0,0,0|1,0,0]=3 36110 B14R1.716 CCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210202 [0,2,0,0,0,0|1,0,0]=3 36111 B14R1.716 CCC(=O)CCCCc1ccncc1 1458a_100000210414_100020630000 [0,2,0,0,0,0|2,0,0]=4 36112 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000210414_100000199009 [0,2,0,0,0,0|1,0,1]=4 36113 B14R1.716 CCC(=O)CCCOc1ccccc1 1458a_100000212059_100000210202 [0,2,0,0,0,0|1,0,1]=4 36114 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000182835_100000210202 [0,2,0,0,0,0|1,0,1]=4 36115 B14R1.716 CCC(=O)CCCSc1ccccc1 1458a_100000210414_200011203293 [0,2,0,0,0,0|1,0,1]=4 36116 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000210414_100000234347 [0,2,0,0,0,0|1,0,1]=4 36117 B14R1.716 CCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210202 [0,2,0,0,0,0|1,0,1]=4 36118 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000173759_100000210202 [0,2,0,0,0,0|1,0,1]=4 36119 B14R1.716 CCC(=O)CCSCc1ccccc1 1458a_100000210414_200011297719 [0,2,0,0,0,0|1,0,1]=4 36120 B14R1.716 CCC(=O)COCCc1ccccc1 34a_100000725409_100000765856 [0,2,0,0,0,0|1,0,1]=4 36121 B14R1.716 CCC(=O)COCCc1ccccc1 7a_100000210268_100000747405 [0,2,0,0,0,0|1,0,1]=4 36122 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000747405_100011218657 [0,2,0,0,0,0|1,0,1]=4 36123 B14R1.716 CCC(=O)CSCCc1ccccc1 62a_100000765856_100000747405 [0,2,0,0,0,0|1,0,1]=4 36124 B14R1.716 CCC(=O)NCCCc1ccccc1 11a_100000211184_100000210414 [0,2,0,0,0,0|1,0,1]=4 36125 B14R1.716 CCC(=O)NCCCc1ccccc1 1626a_100000211184_100000210414 [0,2,0,0,0,0|1,0,1]=4 36126 B14R1.716 CCC(=O)NCCCc1ccccc1 240690a_100000211184_100000210414 [0,2,0,0,0,0|1,0,1]=4 36127 B14R1.716 CCC(=O)NCCCc1ccccc1 527a_100000211184_100000210414 [0,2,0,0,0,0|1,0,1]=4 36128 B14R1.716 CCC(C)CCNCc1ccccc1 207a_100020591266_100015611070 [0,2,0,0,0,0|1,0,0]=3 36129 B14R1.716 CCC(C)CCNCc1ccccc1 2230a_100020591266_100015291786 [0,2,0,0,0,0|1,0,0]=3 36130 B14R1.716 CCC(C)CCNCc1ccccc1 270004a_100020591266_100015611070 [0,2,0,0,0,0|1,0,0]=3 36131 B14R1.716 CCC(C)CCNCc1ccccn1 207a_100020591266_100000209966 [0,2,0,0,0,0|2,0,0]=4 36132 B14R1.716 CCC(C)CCNCc1ccccn1 2230a_100020591266_100000721315 [0,2,0,0,0,0|2,0,0]=4 36133 B14R1.716 CCC(C)CCNCc1ccccn1 270004a_100020591266_100000209966 [0,2,0,0,0,0|2,0,0]=4 36134 B14R1.716 CCC(C)CCNCc1cccnc1 207a_100020591266_100000209961 [0,2,0,0,0,0|2,0,0]=4 36135 B14R1.716 CCC(C)CCNCc1cccnc1 2230a_100020591266_100000741622 [0,2,0,0,0,0|2,0,0]=4 36136 B14R1.716 CCC(C)CCNCc1cccnc1 270004a_100020591266_100000209961 [0,2,0,0,0,0|2,0,0]=4 36137 B14R1.716 CCC(C)CCNCc1ccncc1 207a_100020591266_100000186114 [0,2,0,0,0,0|2,0,0]=4 36138 B14R1.716 CCC(C)CCNCc1ccncc1 2230a_100020591266_100015193705 [0,2,0,0,0,0|2,0,0]=4 36139 B14R1.716 CCC(C)CCOCc1ccccc1 7a_100011215188_100000211182 [0,2,0,0,0,0|1,0,0]=3 36140 B14R1.716 CCC(C)CCOCc1ccccn1 7a_100011215188_100000721315 [0,2,0,0,0,0|2,0,0]=4 36141 B14R1.716 CCC(C)CCOCc1cccnc1 7a_100011215188_100000741622 [0,2,0,0,0,0|2,0,0]=4 36142 B14R1.716 CCC(C)CCOCc1ccncc1 7a_100011215188_100015193705 [0,2,0,0,0,0|2,0,0]=4 36143 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100000106460_100000748023 [0,2,0,0,0,0|1,0,0]=3 36144 B14R1.716 CCC(C)CNCCc1ccccc1 2230a_100020588543_100000765856 [0,2,0,0,0,0|1,0,0]=3 36145 B14R1.716 CCC(C)CNCCc1ccccc1 270004a_100000106460_100000243153 [0,2,0,0,0,0|1,0,0]=3 36146 B14R1.716 CCC(C)CNCCc1ccccc1 34a_100000106460_100000748023 [0,2,0,0,0,0|1,0,0]=3 36147 B14R1.716 CCC(C)CNCCc1ccccn1 2230a_100020588543_100015183660 [0,2,0,0,0,0|2,0,0]=4 36148 B14R1.716 CCC(C)CNCCc1ccccn1 270004a_100000211156_100000243153 [0,2,0,0,0,0|2,0,0]=4 36149 B14R1.716 CCC(C)CNCCc1cccnc1 2230a_100000736294_100000748023 [0,2,0,0,0,0|2,0,0]=4 36150 B14R1.716 CCC(C)CNCCc1cccnc1 2230a_100020588543_200011713674 [0,2,0,0,0,0|2,0,0]=4 36151 B14R1.716 CCC(C)CNCCc1cccnc1 270004a_100000736294_100000243153 [0,2,0,0,0,0|2,0,0]=4 36152 B14R1.716 CCC(C)CNCCc1ccncc1 2230a_100020588543_100000723409 [0,2,0,0,0,0|2,0,0]=4 36153 B14R1.716 CCC(C)CNCCc1ccncc1 270004a_100000742849_100000243153 [0,2,0,0,0,0|2,0,0]=4 36154 B14R1.716 CCC(C)CNCSc1ccccc1 2230a_100020588543_100011218342 [0,2,0,0,0,0|2,0,0]=4 36155 B14R1.716 CCC(C)COCCc1ccccc1 34a_100000210268_100000748023 [0,2,0,0,0,0|1,0,0]=3 36156 B14R1.716 CCC(C)COCCc1ccccc1 7a_100000210268_100000748023 [0,2,0,0,0,0|1,0,0]=3 36157 B14R1.716 CCC(C)COCCc1ccccn1 34a_100000210271_100000748023 [0,2,0,0,0,0|2,0,0]=4 36158 B14R1.716 CCC(C)COCCc1cccnc1 34a_100011217484_100000748023 [0,2,0,0,0,0|2,0,0]=4 36159 B14R1.716 CCC(C)COCCc1ccncc1 34a_100011216225_100000748023 [0,2,0,0,0,0|2,0,0]=4 36160 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000748023_100011218657 [0,2,0,0,0,0|1,0,0]=3 36161 B14R1.716 CCC(C)CSCCc1ccccc1 62a_100000765856_100000748023 [0,2,0,0,0,0|1,0,0]=3 36162 B14R1.716 CCC(C)CSCCc1ccccn1 62a_100000748023_100015183660 [0,2,0,0,0,0|2,0,0]=4 36163 B14R1.716 CCC(C)CSCCc1ccccn1 62a_100015183660_100000748023 [0,2,0,0,0,0|2,0,0]=4 36164 B14R1.716 CCC(C)CSCCc1cccnc1 62a_100000748023_200011713674 [0,2,0,0,0,0|2,0,0]=4 36165 B14R1.716 CCC(C)CSCCc1cccnc1 62a_200011713674_100000748023 [0,2,0,0,0,0|2,0,0]=4 36166 B14R1.716 CCC(C)CSCCc1ccncc1 62a_100000723409_100000748023 [0,2,0,0,0,0|2,0,0]=4 36167 B14R1.716 CCC(C)CSCCc1ccncc1 62a_100000748023_100000723409 [0,2,0,0,0,0|2,0,0]=4 36168 B14R1.716 CCC(C)CSCSc1ccccc1 62a_100000748023_100011218342 [0,2,0,0,0,0|2,0,0]=4 36169 B14R1.716 CCC(C)CSCSc1ccccc1 62a_100011218342_100000748023 [0,2,0,0,0,0|2,0,0]=4 36170 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000209981_100000211621 [0,2,0,0,0,0|1,0,0]=3 36171 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000211184_100000758301 [0,2,0,0,0,0|1,0,0]=3 36172 B14R1.716 CCC(C)NCCCc1ccccc1 34a_100000211184_100011215416 [0,2,0,0,0,0|1,0,0]=3 36173 B14R1.716 CCC(C)NCCCc1cccnc1 2230a_100011532358_100000758301 [0,2,0,0,0,0|2,0,0]=4 36174 B14R1.716 CCC(C)NCCCc1cccnc1 34a_100011532358_100011215416 [0,2,0,0,0,0|2,0,0]=4 36175 B14R1.716 CCC(C)NCCCc1ccncc1 2230a_100011275580_100000758301 [0,2,0,0,0,0|2,0,0]=4 36176 B14R1.716 CCC(C)NCCOc1ccccc1 2230a_100000174943_100000758301 [0,2,0,0,0,0|2,0,0]=4 36177 B14R1.716 CCC(C)NCCOc1ccccc1 2230a_100000209981_100000184471 [0,2,0,0,0,0|2,0,0]=4 36178 B14R1.716 CCC(C)NCCOc1ccccc1 270004a_100000209981_100000758736 [0,2,0,0,0,0|2,0,0]=4 36179 B14R1.716 CCC(C)NCCOc1ccccc1 34a_100000174943_100011215416 [0,2,0,0,0,0|2,0,0]=4 36180 B14R1.716 CCC(C)NCCSc1ccccc1 2230a_100000189519_100000758301 [0,2,0,0,0,0|2,0,0]=4 36181 B14R1.716 CCC(C)NCCSc1ccccc1 2230a_100000209981_100000246102 [0,2,0,0,0,0|2,0,0]=4 36182 B14R1.716 CCC(C)NCOCc1ccccc1 2230a_100000209981_100000763385 [0,2,0,0,0,0|2,0,0]=4 36183 B14R1.716 CCC(C)NCSCc1ccccc1 2230a_100000209981_200011217039 [0,2,0,0,0,0|2,0,0]=4 36184 B14R1.716 CCC(C)OCCCc1ccccc1 34a_100000210828_100011215416 [0,2,0,0,0,0|1,0,0]=3 36185 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210228_100000211621 [0,2,0,0,0,0|1,0,0]=3 36186 B14R1.716 CCC(C)OCCCc1ccccc1 7a_100000210828_100000758301 [0,2,0,0,0,0|1,0,0]=3 36187 B14R1.716 CCC(C)OCCCc1ccccn1 34a_100011215068_100011215416 [0,2,0,0,0,0|2,0,0]=4 36188 B14R1.716 CCC(C)OCCCc1cccnc1 34a_100000211284_100011215416 [0,2,0,0,0,0|2,0,0]=4 36189 B14R1.716 CCC(C)OCCCc1ccncc1 34a_100000210659_100011215416 [0,2,0,0,0,0|2,0,0]=4 36190 B14R1.716 CCC(C)OCCNc1ccccc1 34a_100000211345_100011215416 [0,2,0,0,0,0|2,0,0]=4 36191 B14R1.716 CCC(C)OCCOc1ccccc1 34a_100000210260_100011215416 [0,2,0,0,0,0|2,0,0]=4 36192 B14R1.716 CCC(C)OCCOc1ccccc1 7a_100000210228_100000184471 [0,2,0,0,0,0|2,0,0]=4 36193 B14R1.716 CCC(C)OCCOc1ccccc1 7a_100000210260_100000758301 [0,2,0,0,0,0|2,0,0]=4 36194 B14R1.716 CCC(C)OCCSc1ccccc1 7a_100000210228_100000246102 [0,2,0,0,0,0|2,0,0]=4 36195 B14R1.716 CCC(C)OCCSc1ccccc1 7a_100000230494_100000758301 [0,2,0,0,0,0|2,0,0]=4 36196 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000211621_100000758301 [0,2,0,0,0,0|1,0,0]=3 36197 B14R1.716 CCC(C)SCCCc1ccccc1 62a_100000758301_100000211621 [0,2,0,0,0,0|1,0,0]=3 36198 B14R1.716 CCC(C)SCCOc1ccccc1 62a_100000184471_100000758301 [0,2,0,0,0,0|2,0,0]=4 36199 B14R1.716 CCC(C)SCCOc1ccccc1 62a_100000758301_100000184471 [0,2,0,0,0,0|2,0,0]=4 36200 B14R1.716 CCC(C)SCCSc1ccccc1 62a_100000246102_100000758301 [0,2,0,0,0,0|2,0,0]=4 36201 B14R1.716 CCC(C)SCCSc1ccccc1 62a_100000758301_100000246102 [0,2,0,0,0,0|2,0,0]=4 36202 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000758301_100000763385 [0,2,0,0,0,0|2,0,0]=4 36203 B14R1.716 CCC(C)SCOCc1ccccc1 62a_100000763385_100000758301 [0,2,0,0,0,0|2,0,0]=4 36204 B14R1.716 CCC(C)SCSCc1ccccc1 62a_100000758301_200011217039 [0,2,0,0,0,0|2,0,0]=4 36205 B14R1.716 CCC(C)SCSCc1ccccc1 62a_200011217039_100000758301 [0,2,0,0,0,0|2,0,0]=4 36206 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100000106460_100011218378 [0,2,0,0,0,0|1,0,0]=3 36207 B14R1.716 CCC(O)CNCCc1ccccc1 2230a_100011218483_100000765856 [0,2,0,0,0,0|1,0,0]=3 36208 B14R1.716 CCC(O)CNCCc1ccccc1 34a_100000106460_100011218378 [0,2,0,0,0,0|1,0,0]=3 36209 B14R1.716 CCC(O)CNCCc1ccccn1 2230a_100011218483_100015183660 [0,2,0,0,0,0|2,0,0]=4 36210 B14R1.716 CCC(O)CNCCc1cccnc1 2230a_100000736294_100011218378 [0,2,0,0,0,0|2,0,0]=4 36211 B14R1.716 CCC(O)CNCCc1cccnc1 2230a_100011218483_200011713674 [0,2,0,0,0,0|2,0,0]=4 36212 B14R1.716 CCC(O)CNCCc1ccncc1 2230a_100011218483_100000723409 [0,2,0,0,0,0|2,0,0]=4 36213 B14R1.716 CCC(O)CNCSc1ccccc1 2230a_100011218483_100011218342 [0,2,0,0,0,0|2,0,0]=4 36214 B14R1.716 CCC(O)COCCc1ccccc1 34a_100000210268_100011218378 [0,2,0,0,0,0|1,0,0]=3 36215 B14R1.716 CCC(O)COCCc1ccccc1 7a_100000210268_100011218378 [0,2,0,0,0,0|1,0,0]=3 36216 B14R1.716 CCC(O)COCCc1ccccn1 34a_100000210271_100011218378 [0,2,0,0,0,0|2,0,0]=4 36217 B14R1.716 CCC(O)COCCc1cccnc1 34a_100011217484_100011218378 [0,2,0,0,0,0|2,0,0]=4 36218 B14R1.716 CCC(O)COCCc1ccncc1 34a_100011216225_100011218378 [0,2,0,0,0,0|2,0,0]=4 36219 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100000765856_100011218378 [0,2,0,0,0,0|1,0,0]=3 36220 B14R1.716 CCC(O)CSCCc1ccccc1 62a_100011218378_100011218657 [0,2,0,0,0,0|1,0,0]=3 36221 B14R1.716 CCC(O)CSCCc1ccccn1 62a_100011218378_100015183660 [0,2,0,0,0,0|2,0,0]=4 36222 B14R1.716 CCC(O)CSCCc1ccccn1 62a_100015183660_100011218378 [0,2,0,0,0,0|2,0,0]=4 36223 B14R1.716 CCC(O)CSCCc1cccnc1 62a_100011218378_200011713674 [0,2,0,0,0,0|2,0,0]=4 36224 B14R1.716 CCC(O)CSCCc1cccnc1 62a_200011713674_100011218378 [0,2,0,0,0,0|2,0,0]=4 36225 B14R1.716 CCC(O)CSCCc1ccncc1 62a_100000723409_100011218378 [0,2,0,0,0,0|2,0,0]=4 36226 B14R1.716 CCC(O)CSCCc1ccncc1 62a_100011218378_100000723409 [0,2,0,0,0,0|2,0,0]=4 36227 B14R1.716 CCC(O)CSCSc1ccccc1 62a_100011218342_100011218378 [0,2,0,0,0,0|2,0,0]=4 36228 B14R1.716 CCC(O)CSCSc1ccccc1 62a_100011218378_100011218342 [0,2,0,0,0,0|2,0,0]=4 36229 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000225621_100000701786 [0,2,0,0,0,0|1,0,0]=3 36230 B14R1.716 CCN(C)CCCCc1ccccc1 2230a_100000741445_100000210202 [0,2,0,0,0,0|1,0,0]=3 36231 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000225621_100000701786 [0,2,0,0,0,0|1,0,0]=3 36232 B14R1.716 CCN(C)CCCCc1ccccc1 269982a_100000741445_100000204670 [0,2,0,0,0,0|1,0,0]=3 36233 B14R1.716 CCN(C)CCCCc1ccccc1 34a_100000741445_100000210202 [0,2,0,0,0,0|1,0,0]=3 36234 B14R1.716 CCN(C)CCCCc1ccncc1 2230a_100000225621_100020630000 [0,2,0,0,0,0|2,0,0]=4 36235 B14R1.716 CCN(C)CCCCc1ccncc1 269982a_100000225621_100020630000 [0,2,0,0,0,0|2,0,0]=4 36236 B14R1.716 CCN(C)CCCOc1ccccc1 2230a_100000225621_100000199009 [0,2,0,0,0,0|2,0,0]=4 36237 B14R1.716 CCN(C)CCCOc1ccccc1 2230a_100000225623_100000210202 [0,2,0,0,0,0|2,0,0]=4 36238 B14R1.716 CCN(C)CCCOc1ccccc1 269982a_100000225621_100000199009 [0,2,0,0,0,0|2,0,0]=4 36239 B14R1.716 CCN(C)CCCOc1ccccc1 269982a_100000225623_100000204670 [0,2,0,0,0,0|2,0,0]=4 36240 B14R1.716 CCN(C)CCCOc1ccccc1 7a_100000210340_100015186262 [0,2,0,0,0,0|2,0,0]=4 36241 B14R1.716 CCN(C)CCCSc1ccccc1 2230a_100000225621_200011203293 [0,2,0,0,0,0|2,0,0]=4 36242 B14R1.716 CCN(C)CCCSc1ccccc1 2230a_100015183843_100000210202 [0,2,0,0,0,0|2,0,0]=4 36243 B14R1.716 CCN(C)CCCSc1ccccc1 269982a_100000225621_200011203293 [0,2,0,0,0,0|2,0,0]=4 36244 B14R1.716 CCN(C)CCCSc1ccccc1 269982a_100015183843_100000204670 [0,2,0,0,0,0|2,0,0]=4 36245 B14R1.716 CCN(C)CCCSc1ccccc1 62a_100000719477_100015186262 [0,2,0,0,0,0|2,0,0]=4 36246 B14R1.716 CCN(C)CCOCc1ccccc1 2230a_100000225621_100000234347 [0,2,0,0,0,0|2,0,0]=4 36247 B14R1.716 CCN(C)CCOCc1ccccc1 2230a_100000687121_100000210202 [0,2,0,0,0,0|2,0,0]=4 36248 B14R1.716 CCN(C)CCOCc1ccccc1 269982a_100000225621_100000234347 [0,2,0,0,0,0|2,0,0]=4 36249 B14R1.716 CCN(C)CCOCc1ccccc1 269982a_100000687121_100000204670 [0,2,0,0,0,0|2,0,0]=4 36250 B14R1.716 CCN(C)CCSCc1ccccc1 2230a_100000225621_200011297719 [0,2,0,0,0,0|2,0,0]=4 36251 B14R1.716 CCN(C)CCSCc1ccccc1 269982a_100000225621_200011297719 [0,2,0,0,0,0|2,0,0]=4 36252 B14R1.716 CC[C@H](C)CNCCc1ccccc1 2230a_100000106460_100009816398 [0,2,0,0,0,0|1,0,0]=3 36253 B14R1.716 CC[C@H](C)CNCCc1ccccc1 34a_100000106460_100009816398 [0,2,0,0,0,0|1,0,0]=3 36254 B14R1.716 CC[C@H](C)CNCCc1cccnc1 2230a_100000736294_100009816398 [0,2,0,0,0,0|2,0,0]=4 36255 B14R1.716 CC[C@H](C)COCCc1ccccc1 34a_100000210268_100009816398 [0,2,0,0,0,0|1,0,0]=3 36256 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100000210268_100009816398 [0,2,0,0,0,0|1,0,0]=3 36257 B14R1.716 CC[C@H](C)COCCc1ccccc1 7a_100009816381_100000765856 [0,2,0,0,0,0|1,0,0]=3 36258 B14R1.716 CC[C@H](C)COCCc1ccccn1 34a_100000210271_100009816398 [0,2,0,0,0,0|2,0,0]=4 36259 B14R1.716 CC[C@H](C)COCCc1ccccn1 7a_100009816381_100015183660 [0,2,0,0,0,0|2,0,0]=4 36260 B14R1.716 CC[C@H](C)COCCc1cccnc1 34a_100011217484_100009816398 [0,2,0,0,0,0|2,0,0]=4 36261 B14R1.716 CC[C@H](C)COCCc1cccnc1 7a_100009816381_200011713674 [0,2,0,0,0,0|2,0,0]=4 36262 B14R1.716 CC[C@H](C)COCCc1ccncc1 34a_100011216225_100009816398 [0,2,0,0,0,0|2,0,0]=4 36263 B14R1.716 CC[C@H](C)COCCc1ccncc1 7a_100009816381_100000723409 [0,2,0,0,0,0|2,0,0]=4 36264 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100000765856_100009816398 [0,2,0,0,0,0|1,0,0]=3 36265 B14R1.716 CC[C@H](C)CSCCc1ccccc1 62a_100009816398_100011218657 [0,2,0,0,0,0|1,0,0]=3 36266 B14R1.716 CC[C@H](C)CSCCc1ccccn1 62a_100009816398_100015183660 [0,2,0,0,0,0|2,0,0]=4 36267 B14R1.716 CC[C@H](C)CSCCc1ccccn1 62a_100015183660_100009816398 [0,2,0,0,0,0|2,0,0]=4 36268 B14R1.716 CC[C@H](C)CSCCc1cccnc1 62a_100009816398_200011713674 [0,2,0,0,0,0|2,0,0]=4 36269 B14R1.716 CC[C@H](C)CSCCc1cccnc1 62a_200011713674_100009816398 [0,2,0,0,0,0|2,0,0]=4 36270 B14R1.716 CC[C@H](C)CSCCc1ccncc1 62a_100000723409_100009816398 [0,2,0,0,0,0|2,0,0]=4 36271 B14R1.716 CC[C@H](C)CSCCc1ccncc1 62a_100009816398_100000723409 [0,2,0,0,0,0|2,0,0]=4 36272 B14R1.716 CC[C@H](C)CSCSc1ccccc1 62a_100009816398_100011218342 [0,2,0,0,0,0|2,0,0]=4 36273 B14R1.716 CC[C@H](C)CSCSc1ccccc1 62a_100011218342_100009816398 [0,2,0,0,0,0|2,0,0]=4 36274 B14R1.716 CN(CF)CCCCc1ccccc1 269982a_100000741445_100015361967 [0,2,0,0,0,0|1,0,0]=3 36275 B14R1.716 CN(CF)CCCCc1ccccc1 34a_100000741445_100015361967 [0,2,0,0,0,0|1,0,0]=3 36276 B14R1.716 CN(CF)CCCOc1ccccc1 269982a_100000225623_100015361967 [0,2,0,0,0,0|2,0,0]=4 36277 B14R1.716 CN(CF)CCCSc1ccccc1 269982a_100015183843_100015361967 [0,2,0,0,0,0|2,0,0]=4 36278 B14R1.716 CN(CF)CCOCc1ccccc1 269982a_100000687121_100015361967 [0,2,0,0,0,0|2,0,0]=4 36279 B14R1.716 CNC(=O)CCCCc1ccccc1 11a_106832991635_100011215911 [0,2,0,0,0,0|0,0,2]=4 36280 B14R1.716 CNC(=O)CCCCc1ccccc1 1626a_100102657272_100011215911 [0,2,0,0,0,0|0,0,2]=4 36281 B14R1.716 CNC(=O)CCCCc1ccccc1 240690a_100102657272_100011215911 [0,2,0,0,0,0|0,0,2]=4 36282 B14R1.716 CNC(=O)CCCCc1ccccc1 527a_100102657272_100011215911 [0,2,0,0,0,0|0,0,2]=4 36283 B14R1.716 CNC(C)CCCCc1ccccc1 270004a_106832991635_200011485782 [0,2,0,0,0,0|1,0,0]=3 36284 B14R1.716 CNC(C)CCOCc1ccccc1 270004a_106832991635_100011219826 [0,2,0,0,0,0|2,0,0]=4 36285 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,2,0,0,0,0|1,0,1]=4 36286 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,2,0,0,0,0|1,0,1]=4 36287 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,2,0,0,0,0|1,0,1]=4 36288 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,2,0,0,0,0|1,0,1]=4 36289 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,2,0,0,0,0|1,0,1]=4 36290 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,2,0,0,0,0|1,0,1]=4 36291 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,2,0,0,0,0|1,0,1]=4 36292 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,2,0,0,0,0|1,0,1]=4 36293 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,2,0,0,0,0|1,0,1]=4 36294 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,2,0,0,0,0|1,0,1]=4 36295 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,2,0,0,0,0|1,0,1]=4 36296 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,2,0,0,0,0|1,0,1]=4 36297 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,2,0,0,0,0|1,0,1]=4 36298 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,2,0,0,0,0|1,0,1]=4 36299 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,2,0,0,0,0|1,0,1]=4 36300 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,2,0,0,0,0|1,0,1]=4 36301 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,2,0,0,0,0|1,0,1]=4 36302 B14R1.716 COC(C)CCOCc1ccccc1 7a_100000764861_100000211182 [0,2,0,0,0,0|1,0,0]=3 36303 B14R1.716 COC(C)CCOCc1ccccn1 7a_100000764861_100000721315 [0,2,0,0,0,0|2,0,0]=4 36304 B14R1.716 COC(C)CCOCc1cccnc1 7a_100000764861_100000741622 [0,2,0,0,0,0|2,0,0]=4 36305 B14R1.716 COC(C)CCOCc1ccncc1 7a_100000764861_100015193705 [0,2,0,0,0,0|2,0,0]=4 36306 B14R1.716 COC(C)COCCc1ccccc1 34a_100000690652_100000765856 [0,2,0,0,0,0|1,0,0]=3 36307 B14R1.716 COC(C)SCCCc1ccccc1 62a_100000211621_100009879195 [0,2,0,0,0,0|1,0,0]=3 36308 B14R1.716 COC(C)SCCCc1ccccc1 62a_100009879195_100000211621 [0,2,0,0,0,0|1,0,0]=3 36309 B14R1.716 COC(C)SCCOc1ccccc1 62a_100000184471_100009879195 [0,2,0,0,0,0|2,0,0]=4 36310 B14R1.716 COC(C)SCCOc1ccccc1 62a_100009879195_100000184471 [0,2,0,0,0,0|2,0,0]=4 36311 B14R1.716 COC(C)SCCSc1ccccc1 62a_100000246102_100009879195 [0,2,0,0,0,0|2,0,0]=4 36312 B14R1.716 COC(C)SCCSc1ccccc1 62a_100009879195_100000246102 [0,2,0,0,0,0|2,0,0]=4 36313 B14R1.716 COC(C)SCOCc1ccccc1 62a_100000763385_100009879195 [0,2,0,0,0,0|2,0,0]=4 36314 B14R1.716 COC(C)SCOCc1ccccc1 62a_100009879195_100000763385 [0,2,0,0,0,0|2,0,0]=4 36315 B14R1.716 COC(C)SCSCc1ccccc1 62a_100009879195_200011217039 [0,2,0,0,0,0|2,0,0]=4 36316 B14R1.716 COC(C)SCSCc1ccccc1 62a_200011217039_100009879195 [0,2,0,0,0,0|2,0,0]=4 36317 B14R1.716 CO[C@H](C)CNCCc1ccccc1 2230a_100020591295_100000765856 [0,2,0,0,0,0|1,0,0]=3 36318 B14R1.716 CO[C@H](C)CNCCc1ccccn1 2230a_100020591295_100015183660 [0,2,0,0,0,0|2,0,0]=4 36319 B14R1.716 CO[C@H](C)CNCCc1cccnc1 2230a_100020591295_200011713674 [0,2,0,0,0,0|2,0,0]=4 36320 B14R1.716 CO[C@H](C)CNCCc1ccncc1 2230a_100020591295_100000723409 [0,2,0,0,0,0|2,0,0]=4 36321 B14R1.716 CO[C@H](C)CNCSc1ccccc1 2230a_100020591295_100011218342 [0,2,0,0,0,0|2,0,0]=4 36322 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 2230a_100000106460_100000059175 [0,2,0,0,0,0|0,0,0]=2 36323 B14R1.716 C[C@@H](CO)CNCCc1ccccc1 34a_100000106460_100000059175 [0,2,0,0,0,0|0,0,0]=2 36324 B14R1.716 C[C@@H](CO)CNCCc1cccnc1 2230a_100000736294_100000059175 [0,2,0,0,0,0|1,0,0]=3 36325 B14R1.716 C[C@@H](CO)COCCc1ccccc1 34a_100000210268_100000059175 [0,2,0,0,0,0|0,0,0]=2 36326 B14R1.716 C[C@@H](CO)COCCc1ccccc1 7a_100000210268_100000059175 [0,2,0,0,0,0|0,0,0]=2 36327 B14R1.716 C[C@@H](CO)COCCc1ccccn1 34a_100000210271_100000059175 [0,2,0,0,0,0|1,0,0]=3 36328 B14R1.716 C[C@@H](CO)COCCc1cccnc1 34a_100011217484_100000059175 [0,2,0,0,0,0|1,0,0]=3 36329 B14R1.716 C[C@@H](CO)COCCc1ccncc1 34a_100011216225_100000059175 [0,2,0,0,0,0|1,0,0]=3 36330 B14R1.716 C[C@@H](CO)COCCc1cnccn1 34a_100011349526_100000059175 [0,2,0,0,0,0|2,0,0]=4 36331 B14R1.716 C[C@@H](CO)COCCc1cncnc1 34a_100011709255_100000059175 [0,2,0,0,0,0|2,0,0]=4 36332 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000059175_100011218657 [0,2,0,0,0,0|0,0,0]=2 36333 B14R1.716 C[C@@H](CO)CSCCc1ccccc1 62a_100000765856_100000059175 [0,2,0,0,0,0|0,0,0]=2 36334 B14R1.716 C[C@@H](CO)CSCCc1ccccn1 62a_100000059175_100015183660 [0,2,0,0,0,0|1,0,0]=3 36335 B14R1.716 C[C@@H](CO)CSCCc1ccccn1 62a_100015183660_100000059175 [0,2,0,0,0,0|1,0,0]=3 36336 B14R1.716 C[C@@H](CO)CSCCc1cccnc1 62a_100000059175_200011713674 [0,2,0,0,0,0|1,0,0]=3 36337 B14R1.716 C[C@@H](CO)CSCCc1cccnc1 62a_200011713674_100000059175 [0,2,0,0,0,0|1,0,0]=3 36338 B14R1.716 C[C@@H](CO)CSCCc1ccncc1 62a_100000059175_100000723409 [0,2,0,0,0,0|1,0,0]=3 36339 B14R1.716 C[C@@H](CO)CSCCc1ccncc1 62a_100000723409_100000059175 [0,2,0,0,0,0|1,0,0]=3 36340 B14R1.716 C[C@@H](CO)CSCSc1ccccc1 62a_100000059175_100011218342 [0,2,0,0,0,0|1,0,0]=3 36341 B14R1.716 C[C@@H](CO)CSCSc1ccccc1 62a_100011218342_100000059175 [0,2,0,0,0,0|1,0,0]=3 36342 B14R1.716 C[C@H](CF)NCCOc1ccccc1 270004a_100102880703_100000758736 [0,2,0,0,0,0|2,0,0]=4 36343 B14R1.716 C[C@H](CO)NC/C=C/c1ccccc1 2230a_100000737577_100016265936 [0,2,0,0,0,0|0,0,2]=4 36344 B14R1.716 C[C@H](CO)NCC#Cc1ccccc1 2230a_100000737577_100011352542 [0,2,0,0,0,0|0,0,2]=4 36345 B14R1.716 C[C@H](CO)NCC=Cc1ccccc1 270004a_100000737577_100000210105 [0,2,0,0,0,0|0,0,2]=4 36346 B14R1.716 C[C@H](CO)NCCCc1ccccc1 2230a_100000737577_100000211621 [0,2,0,0,0,0|0,0,0]=2 36347 B14R1.716 C[C@H](CO)NCCOc1ccccc1 2230a_100000737577_100000184471 [0,2,0,0,0,0|1,0,0]=3 36348 B14R1.716 C[C@H](CO)NCCOc1ccccc1 270004a_100000737577_100000758736 [0,2,0,0,0,0|1,0,0]=3 36349 B14R1.716 C[C@H](CO)NCCSc1ccccc1 2230a_100000737577_100000246102 [0,2,0,0,0,0|1,0,0]=3 36350 B14R1.716 C[C@H](CO)NCOCc1ccccc1 2230a_100000737577_100000763385 [0,2,0,0,0,0|1,0,0]=3 36351 B14R1.716 C[C@H](CO)NCSCc1ccccc1 2230a_100000737577_200011217039 [0,2,0,0,0,0|1,0,0]=3 36352 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016084084_100016265936 [0,2,0,0,0,0|0,0,2]=4 36353 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016265936_100016084084 [0,2,0,0,0,0|0,0,2]=4 36354 B14R1.716 C[C@H](CO)SCC#Cc1ccccc1 62a_100016084084_100011352542 [0,2,0,0,0,0|0,0,2]=4 36355 B14R1.716 C[C@H](CO)SCCCc1ccccc1 62a_100000211621_100016084084 [0,2,0,0,0,0|0,0,0]=2 36356 B14R1.716 C[C@H](CO)SCCCc1ccccc1 62a_100016084084_100000211621 [0,2,0,0,0,0|0,0,0]=2 36357 B14R1.716 C[C@H](CO)SCCOc1ccccc1 62a_100000184471_100016084084 [0,2,0,0,0,0|1,0,0]=3 36358 B14R1.716 C[C@H](CO)SCCOc1ccccc1 62a_100016084084_100000184471 [0,2,0,0,0,0|1,0,0]=3 36359 B14R1.716 C[C@H](CO)SCCSc1ccccc1 62a_100000246102_100016084084 [0,2,0,0,0,0|1,0,0]=3 36360 B14R1.716 C[C@H](CO)SCCSc1ccccc1 62a_100016084084_100000246102 [0,2,0,0,0,0|1,0,0]=3 36361 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100000763385_100016084084 [0,2,0,0,0,0|1,0,0]=3 36362 B14R1.716 C[C@H](CO)SCOCc1ccccc1 62a_100016084084_100000763385 [0,2,0,0,0,0|1,0,0]=3 36363 B14R1.716 C[C@H](CO)SCSCc1ccccc1 62a_100016084084_200011217039 [0,2,0,0,0,0|1,0,0]=3 36364 B14R1.716 C[C@H](CO)SCSCc1ccccc1 62a_200011217039_100016084084 [0,2,0,0,0,0|1,0,0]=3 36365 B14R1.716 ClCC(Cl)COCCc1ccccc1 34a_100000033668_100000765856 [0,2,0,0,0,0|1,0,0]=3 36366 B14R1.716 N#CC(F)SCCCc1ccccc1 62a_100000211621_200000117898 [0,2,0,0,0,0|1,0,1]=4 36367 B14R1.716 N#CC(F)SCCCc1ccccc1 62a_200000117898_100000211621 [0,2,0,0,0,0|1,0,1]=4 36368 B14R1.716 NC(=NO)CCOCc1ccccc1 34a_100000749954_100015291786 [0,2,0,0,0,0|1,0,1]=4 36369 B14R1.716 NC[C@@H](F)COCCc1ccccc1 34a_100015665980_100000765856 [0,2,0,0,0,0|1,0,0]=3 36370 B14R1.716 O=C(CF)CCCCc1ccccc1 1458a_100011215911_100015361967 [0,2,0,0,0,0|1,0,0]=3 36371 B14R1.716 O=C(CF)CCCOc1ccccc1 1458a_100000212059_100015361967 [0,2,0,0,0,0|1,0,1]=4 36372 B14R1.716 O=C(CF)CCCSc1ccccc1 1458a_100000182835_100015361967 [0,2,0,0,0,0|1,0,1]=4 36373 B14R1.716 O=C(CF)CCOCc1ccccc1 1458a_100000743319_100015361967 [0,2,0,0,0,0|1,0,1]=4 36374 B14R1.716 O=C(CF)CCSCc1ccccc1 1458a_100000173759_100015361967 [0,2,0,0,0,0|1,0,1]=4 36375 B14R1.716 O=C(CO)CCCCc1ccccc1 1458a_100000210174_100000701786 [0,2,0,0,0,0|0,0,0]=2 36376 B14R1.716 O=C(CO)CCCCc1ccncc1 1458a_100000210174_100020630000 [0,2,0,0,0,0|1,0,0]=3 36377 B14R1.716 O=C(CO)CCCOc1ccccc1 1458a_100000210174_100000199009 [0,2,0,0,0,0|0,0,1]=3 36378 B14R1.716 O=C(CO)CCCSc1ccccc1 1458a_100000210174_200011203293 [0,2,0,0,0,0|0,0,1]=3 36379 B14R1.716 O=C(CO)CCOCc1ccccc1 1458a_100000210174_100000234347 [0,2,0,0,0,0|0,0,1]=3 36380 B14R1.716 O=C(CO)CCSCc1ccccc1 1458a_100000210174_200011297719 [0,2,0,0,0,0|0,0,1]=3 36381 B14R1.716 O=C(CO)NCCCc1ccccc1 240690a_100000211184_100000210174 [0,2,0,0,0,0|0,0,1]=3 36382 B14R1.716 O=C(CO)NCCCc1ccccc1 527a_100000211184_100000210174 [0,2,0,0,0,0|0,0,1]=3 36383 B14R1.716 O=C(CO)NCCCc1ccccn1 240690a_100000689020_100000210174 [0,2,0,0,0,0|1,0,1]=4 36384 B14R1.716 O=C(CO)NCCCc1ccccn1 527a_100000689020_100000210174 [0,2,0,0,0,0|1,0,1]=4 36385 B14R1.716 O=C(CO)NCCCc1cccnc1 240690a_100011532358_100000210174 [0,2,0,0,0,0|1,0,1]=4 36386 B14R1.716 O=C(CO)NCCCc1ccncc1 240690a_100011275580_100000210174 [0,2,0,0,0,0|1,0,1]=4 36387 B14R1.716 O=C(CO)NCCCc1ccncc1 527a_100011275580_100000210174 [0,2,0,0,0,0|1,0,1]=4 36388 B14R1.716 O=C(CO)NCCOc1ccccc1 240690a_100000174943_100000210174 [0,2,0,0,0,0|1,0,1]=4 36389 B14R1.716 O=C(CO)NCCOc1ccccc1 527a_100000174943_100000210174 [0,2,0,0,0,0|1,0,1]=4 36390 B14R1.716 O=C(CO)NCCSc1ccccc1 240690a_100000189519_100000210174 [0,2,0,0,0,0|1,0,1]=4 36391 B14R1.716 O=C(CO)NCCSc1ccccc1 527a_100000189519_100000210174 [0,2,0,0,0,0|1,0,1]=4 36392 B14R1.716 O=C(CO)NNCCc1ccccc1 22a_100000740470_100000210174 [0,2,0,0,0,0|1,0,1]=4 36393 B14R1.716 OCC(O)C=NNCc1ccccc1 4a_100000007032_100000033539 [0,2,0,0,0,0|1,0,1]=4 36394 B14R1.716 OCC(O)CNCCc1ccccc1 2230a_100000106460_100011219619 [0,2,0,0,0,0|0,0,0]=2 36395 B14R1.716 OCC(O)CNCCc1ccccc1 34a_100000106460_100011219619 [0,2,0,0,0,0|0,0,0]=2 36396 B14R1.716 OCC(O)CNCCc1cccnc1 2230a_100000736294_100011219619 [0,2,0,0,0,0|1,0,0]=3 36397 B14R1.716 OCC(O)COCCc1ccccc1 34a_100000210268_100011219619 [0,2,0,0,0,0|0,0,0]=2 36398 B14R1.716 OCC(O)COCCc1ccccc1 7a_100000210268_100011219619 [0,2,0,0,0,0|0,0,0]=2 36399 B14R1.716 OCC(O)COCCc1ccccn1 34a_100000210271_100011219619 [0,2,0,0,0,0|1,0,0]=3 36400 B14R1.716 OCC(O)COCCc1cccnc1 34a_100011217484_100011219619 [0,2,0,0,0,0|1,0,0]=3 36401 B14R1.716 OCC(O)COCCc1ccncc1 34a_100011216225_100011219619 [0,2,0,0,0,0|1,0,0]=3 36402 B14R1.716 OCC(O)COCCc1cnccn1 34a_100011349526_100011219619 [0,2,0,0,0,0|2,0,0]=4 36403 B14R1.716 OCC(O)COCCc1cncnc1 34a_100011709255_100011219619 [0,2,0,0,0,0|2,0,0]=4 36404 B14R1.716 OCC(O)CSCCc1ccccc1 62a_100000765856_100011219619 [0,2,0,0,0,0|0,0,0]=2 36405 B14R1.716 OCC(O)CSCCc1ccccc1 62a_100011219619_100011218657 [0,2,0,0,0,0|0,0,0]=2 36406 B14R1.716 OCC(O)CSCCc1ccccn1 62a_100011219619_100015183660 [0,2,0,0,0,0|1,0,0]=3 36407 B14R1.716 OCC(O)CSCCc1ccccn1 62a_100015183660_100011219619 [0,2,0,0,0,0|1,0,0]=3 36408 B14R1.716 OCC(O)CSCCc1cccnc1 62a_100011219619_200011713674 [0,2,0,0,0,0|1,0,0]=3 36409 B14R1.716 OCC(O)CSCCc1cccnc1 62a_200011713674_100011219619 [0,2,0,0,0,0|1,0,0]=3 36410 B14R1.716 OCC(O)CSCCc1ccncc1 62a_100000723409_100011219619 [0,2,0,0,0,0|1,0,0]=3 36411 B14R1.716 OCC(O)CSCCc1ccncc1 62a_100011219619_100000723409 [0,2,0,0,0,0|1,0,0]=3 36412 B14R1.716 OCC(O)CSCSc1ccccc1 62a_100011218342_100011219619 [0,2,0,0,0,0|1,0,0]=3 36413 B14R1.716 OCC(O)CSCSc1ccccc1 62a_100011219619_100011218342 [0,2,0,0,0,0|1,0,0]=3 36414 B14R1.716 OC[C@@H](O)CNCCc1ccccc1 2230a_100020644852_100000765856 [0,2,0,0,0,0|0,0,0]=2 36415 B14R1.716 OC[C@@H](O)CNCCc1ccccn1 2230a_100020644852_100015183660 [0,2,0,0,0,0|1,0,0]=3 36416 B14R1.716 OC[C@@H](O)CNCCc1cccnc1 2230a_100020644852_200011713674 [0,2,0,0,0,0|1,0,0]=3 36417 B14R1.716 OC[C@@H](O)CNCCc1ccncc1 2230a_100020644852_100000723409 [0,2,0,0,0,0|1,0,0]=3 36418 B14R1.716 OC[C@@H](O)CNCSc1ccccc1 2230a_100020644852_100011218342 [0,2,0,0,0,0|1,0,0]=3 36419 B14R1.716 OC[C@H](F)CNCCc1ccccc1 34a_100015665980_100000765856 [0,2,0,0,0,0|0,0,0]=2 36420 B14R1.716 OC[C@H](O)CNCCc1ccccc1 2230a_100000106460_100009815848 [0,2,0,0,0,0|0,0,0]=2 36421 B14R1.716 OC[C@H](O)CNCCc1ccccc1 34a_100000106460_100009815848 [0,2,0,0,0,0|0,0,0]=2 36422 B14R1.716 OC[C@H](O)CNCCc1cccnc1 2230a_100000736294_100009815848 [0,2,0,0,0,0|1,0,0]=3 36423 B14R1.716 OC[C@H](O)COCCc1ccccc1 34a_100000210268_100009815848 [0,2,0,0,0,0|0,0,0]=2 36424 B14R1.716 OC[C@H](O)COCCc1ccccc1 7a_100000210268_100009815848 [0,2,0,0,0,0|0,0,0]=2 36425 B14R1.716 OC[C@H](O)COCCc1ccccn1 34a_100000210271_100009815848 [0,2,0,0,0,0|1,0,0]=3 36426 B14R1.716 OC[C@H](O)COCCc1cccnc1 34a_100011217484_100009815848 [0,2,0,0,0,0|1,0,0]=3 36427 B14R1.716 OC[C@H](O)COCCc1ccncc1 34a_100011216225_100009815848 [0,2,0,0,0,0|1,0,0]=3 36428 B14R1.716 OC[C@H](O)COCCc1cnccn1 34a_100011349526_100009815848 [0,2,0,0,0,0|2,0,0]=4 36429 B14R1.716 OC[C@H](O)COCCc1cncnc1 34a_100011709255_100009815848 [0,2,0,0,0,0|2,0,0]=4 36430 B14R1.716 OC[C@H](O)CSCCc1ccccc1 62a_100000765856_100009815848 [0,2,0,0,0,0|0,0,0]=2 36431 B14R1.716 OC[C@H](O)CSCCc1ccccc1 62a_100009815848_100011218657 [0,2,0,0,0,0|0,0,0]=2 36432 B14R1.716 OC[C@H](O)CSCCc1ccccn1 62a_100009815848_100015183660 [0,2,0,0,0,0|1,0,0]=3 36433 B14R1.716 OC[C@H](O)CSCCc1ccccn1 62a_100015183660_100009815848 [0,2,0,0,0,0|1,0,0]=3 36434 B14R1.716 OC[C@H](O)CSCCc1cccnc1 62a_100009815848_200011713674 [0,2,0,0,0,0|1,0,0]=3 36435 B14R1.716 OC[C@H](O)CSCCc1cccnc1 62a_200011713674_100009815848 [0,2,0,0,0,0|1,0,0]=3 36436 B14R1.716 OC[C@H](O)CSCCc1ccncc1 62a_100000723409_100009815848 [0,2,0,0,0,0|1,0,0]=3 36437 B14R1.716 OC[C@H](O)CSCCc1ccncc1 62a_100009815848_100000723409 [0,2,0,0,0,0|1,0,0]=3 36438 B14R1.716 OC[C@H](O)CSCSc1ccccc1 62a_100009815848_100011218342 [0,2,0,0,0,0|1,0,0]=3 36439 B14R1.716 OC[C@H](O)CSCSc1ccccc1 62a_100011218342_100009815848 [0,2,0,0,0,0|1,0,0]=3 36440 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 2230a_100000106460_100015614560 [0,2,0,0,0,0|1,0,0]=3 36441 B14R1.716 O[C@@H](CF)CNCCc1ccccc1 34a_100000106460_100015614560 [0,2,0,0,0,0|1,0,0]=3 36442 B14R1.716 O[C@@H](CF)CNCCc1cccnc1 2230a_100000736294_100015614560 [0,2,0,0,0,0|2,0,0]=4 36443 B14R1.716 O[C@@H](CF)COCCc1ccccc1 34a_100000210268_100015614560 [0,2,0,0,0,0|1,0,0]=3 36444 B14R1.716 O[C@@H](CF)COCCc1ccccc1 7a_100000210268_100015614560 [0,2,0,0,0,0|1,0,0]=3 36445 B14R1.716 O[C@@H](CF)COCCc1ccccn1 34a_100000210271_100015614560 [0,2,0,0,0,0|2,0,0]=4 36446 B14R1.716 O[C@@H](CF)COCCc1cccnc1 34a_100011217484_100015614560 [0,2,0,0,0,0|2,0,0]=4 36447 B14R1.716 O[C@@H](CF)COCCc1ccncc1 34a_100011216225_100015614560 [0,2,0,0,0,0|2,0,0]=4 36448 B14R1.716 O[C@@H](CF)CSCCc1ccccc1 62a_100000765856_100015614560 [0,2,0,0,0,0|1,0,0]=3 36449 B14R1.716 O[C@@H](CF)CSCCc1ccccc1 62a_100015614560_100011218657 [0,2,0,0,0,0|1,0,0]=3 36450 B14R1.716 O[C@@H](CF)CSCCc1ccccn1 62a_100015183660_100015614560 [0,2,0,0,0,0|2,0,0]=4 36451 B14R1.716 O[C@@H](CF)CSCCc1ccccn1 62a_100015614560_100015183660 [0,2,0,0,0,0|2,0,0]=4 36452 B14R1.716 O[C@@H](CF)CSCCc1cccnc1 62a_100015614560_200011713674 [0,2,0,0,0,0|2,0,0]=4 36453 B14R1.716 O[C@@H](CF)CSCCc1cccnc1 62a_200011713674_100015614560 [0,2,0,0,0,0|2,0,0]=4 36454 B14R1.716 O[C@@H](CF)CSCCc1ccncc1 62a_100000723409_100015614560 [0,2,0,0,0,0|2,0,0]=4 36455 B14R1.716 O[C@@H](CF)CSCCc1ccncc1 62a_100015614560_100000723409 [0,2,0,0,0,0|2,0,0]=4 36456 B14R1.716 O[C@@H](CF)CSCSc1ccccc1 62a_100011218342_100015614560 [0,2,0,0,0,0|2,0,0]=4 36457 B14R1.716 O[C@@H](CF)CSCSc1ccccc1 62a_100015614560_100011218342 [0,2,0,0,0,0|2,0,0]=4 36458 B14R1.882 BrCCCCOCc1ccccc1Br 34a_100011216708_100000184730 [0,2,0,0,0,0|1,0,0]=3 36459 B14R1.882 BrCCCCOCc1ccccc1I 34a_100011216708_100011215278 [0,2,0,0,0,0|1,0,0]=3 36460 B14R1.882 BrCCCCOCc1cccnc1Br 34a_100011216708_100010140945 [0,2,0,0,0,0|2,0,0]=4 36461 B14R1.882 BrCCCCOCc1ncccc1Br 34a_100011216708_100025702911 [0,2,0,0,0,0|2,0,0]=4 36462 B14R1.882 BrCCCOCCc1ccccc1Br 34a_100011217188_100012161201 [0,2,0,0,0,0|1,0,0]=3 36463 B14R1.882 BrCCOCCCc1ccccc1Br 34a_100000211926_200011713681 [0,2,0,0,0,0|1,0,0]=3 36464 B14R1.882 BrCCOCCOc1ccccc1Br 34a_100000211926_100000695877 [0,2,0,0,0,0|2,0,0]=4 36465 B14R1.882 Brc1ccccc1COCCCCI 34a_200012148704_100000184730 [0,2,0,0,0,0|1,0,0]=3 36466 B14R1.882 Brc1cccnc1COCCCCI 34a_200012148704_100025702911 [0,2,0,0,0,0|2,0,0]=4 36467 B14R1.882 Brc1ncccc1COCCCCI 34a_200012148704_100010140945 [0,2,0,0,0,0|2,0,0]=4 36468 B14R1.882 C#CCCCCNc1ccccc1Br 34a_100000210017_100010269958 [0,2,0,0,0,0|1,0,1]=4 36469 B14R1.882 C#CCCCCNc1ccccc1C 34a_100015192222_100010269958 [0,2,0,0,0,0|1,0,1]=4 36470 B14R1.882 C#CCCCCNc1ccccc1Cl 34a_100000185783_100010269958 [0,2,0,0,0,0|1,0,1]=4 36471 B14R1.882 C#CCCCCNc1ccccc1F 34a_100000210422_100010269958 [0,2,0,0,0,0|1,0,1]=4 36472 B14R1.882 C#CCCCCNc1ccccc1I 34a_100000210053_100010269958 [0,2,0,0,0,0|1,0,1]=4 36473 B14R1.882 C#CCCCCNc1ccccc1O 34a_100000185747_100010269958 [0,2,0,0,0,0|1,0,1]=4 36474 B14R1.882 C#CCCCCOc1ccccc1Br 34a_100000181306_100010269958 [0,2,0,0,0,0|1,0,1]=4 36475 B14R1.882 C#CCCCCOc1ccccc1Br 7a_100000181306_100010269958 [0,2,0,0,0,0|1,0,1]=4 36476 B14R1.882 C#CCCCCOc1ccccc1C 34a_100000210338_100010269958 [0,2,0,0,0,0|1,0,1]=4 36477 B14R1.882 C#CCCCCOc1ccccc1C 7a_100000210338_100010269958 [0,2,0,0,0,0|1,0,1]=4 36478 B14R1.882 C#CCCCCOc1ccccc1Cl 34a_100000210172_100010269958 [0,2,0,0,0,0|1,0,1]=4 36479 B14R1.882 C#CCCCCOc1ccccc1Cl 7a_100000210172_100010269958 [0,2,0,0,0,0|1,0,1]=4 36480 B14R1.882 C#CCCCCOc1ccccc1F 34a_100000210171_100010269958 [0,2,0,0,0,0|1,0,1]=4 36481 B14R1.882 C#CCCCCOc1ccccc1F 7a_100000210171_100010269958 [0,2,0,0,0,0|1,0,1]=4 36482 B14R1.882 C#CCCCCOc1ccccc1I 34a_100000739446_100010269958 [0,2,0,0,0,0|1,0,1]=4 36483 B14R1.882 C#CCCCCOc1ccccc1I 7a_100000739446_100010269958 [0,2,0,0,0,0|1,0,1]=4 36484 B14R1.882 C#CCCCCOc1ccccc1N 34a_100000185747_100010269958 [0,2,0,0,0,0|1,0,1]=4 36485 B14R1.882 C#CCCCCOc1ccccc1N 7a_100000185747_100010269958 [0,2,0,0,0,0|1,0,1]=4 36486 B14R1.882 C#CCCCCSc1ccccc1Br 62a_100000695589_100010269958 [0,2,0,0,0,0|1,0,1]=4 36487 B14R1.882 C#CCCCCSc1ccccc1Br 62a_100010269958_100000695589 [0,2,0,0,0,0|1,0,1]=4 36488 B14R1.882 C#CCCCCSc1ccccc1C 62a_100000210755_100010269958 [0,2,0,0,0,0|1,0,1]=4 36489 B14R1.882 C#CCCCCSc1ccccc1C 62a_100010269958_100000210755 [0,2,0,0,0,0|1,0,1]=4 36490 B14R1.882 C#CCCCCSc1ccccc1Cl 62a_100000764095_100010269958 [0,2,0,0,0,0|1,0,1]=4 36491 B14R1.882 C#CCCCCSc1ccccc1Cl 62a_100010269958_100000764095 [0,2,0,0,0,0|1,0,1]=4 36492 B14R1.882 C#CCCCCSc1ccccc1F 62a_100010269958_100011215700 [0,2,0,0,0,0|1,0,1]=4 36493 B14R1.882 C#CCCCCSc1ccccc1F 62a_100011215700_100010269958 [0,2,0,0,0,0|1,0,1]=4 36494 B14R1.882 C#CCCCCSc1ccccc1N 62a_100000210017_100010269958 [0,2,0,0,0,0|1,0,1]=4 36495 B14R1.882 C#CCCCCSc1ccccc1N 62a_100010269958_100000210017 [0,2,0,0,0,0|1,0,1]=4 36496 B14R1.882 C#CCCCCSc1ccccc1O 62a_100000739446_100010269958 [0,2,0,0,0,0|1,0,1]=4 36497 B14R1.882 C#CCCCCSc1ccccc1O 62a_100010269958_100000739446 [0,2,0,0,0,0|1,0,1]=4 36498 B14R1.882 C#CCCCNCc1ccccc1Br 207a_100000718082_100000211189 [0,2,0,0,0,0|1,0,1]=4 36499 B14R1.882 C#CCCCNCc1ccccc1Br 2230a_100000689332_100000731252 [0,2,0,0,0,0|1,0,1]=4 36500 B14R1.882 C#CCCCNCc1ccccc1Br 270004a_100000718082_100000211189 [0,2,0,0,0,0|1,0,1]=4 36501 B14R1.882 C#CCCCNCc1ccccc1Br 34a_100000689332_100000695029 [0,2,0,0,0,0|1,0,1]=4 36502 B14R1.882 C#CCCCNCc1ccccc1Br 34a_100000718082_100000184730 [0,2,0,0,0,0|1,0,1]=4 36503 B14R1.882 C#CCCCNCc1ccccc1C 207a_100000718082_100000211143 [0,2,0,0,0,0|1,0,1]=4 36504 B14R1.882 C#CCCCNCc1ccccc1C 270004a_100000718082_100000211143 [0,2,0,0,0,0|1,0,1]=4 36505 B14R1.882 C#CCCCNCc1ccccc1C 34a_100000174972_100000695029 [0,2,0,0,0,0|1,0,1]=4 36506 B14R1.882 C#CCCCNCc1ccccc1C 34a_100000718082_100000211839 [0,2,0,0,0,0|1,0,1]=4 36507 B14R1.882 C#CCCCNCc1ccccc1Cl 207a_100000718082_100000210073 [0,2,0,0,0,0|1,0,1]=4 36508 B14R1.882 C#CCCCNCc1ccccc1Cl 2230a_100000174879_100000731252 [0,2,0,0,0,0|1,0,1]=4 36509 B14R1.882 C#CCCCNCc1ccccc1Cl 270004a_100000718082_100000210073 [0,2,0,0,0,0|1,0,1]=4 36510 B14R1.882 C#CCCCNCc1ccccc1Cl 34a_100000174879_100000695029 [0,2,0,0,0,0|1,0,1]=4 36511 B14R1.882 C#CCCCNCc1ccccc1Cl 34a_100000718082_100000187162 [0,2,0,0,0,0|1,0,1]=4 36512 B14R1.882 C#CCCCNCc1ccccc1F 207a_100000718082_100000210811 [0,2,0,0,0,0|1,0,1]=4 36513 B14R1.882 C#CCCCNCc1ccccc1F 270004a_100000718082_100000210811 [0,2,0,0,0,0|1,0,1]=4 36514 B14R1.882 C#CCCCNCc1ccccc1F 34a_100000174869_100000695029 [0,2,0,0,0,0|1,0,1]=4 36515 B14R1.882 C#CCCCNCc1ccccc1F 34a_100000718082_100000211605 [0,2,0,0,0,0|1,0,1]=4 36516 B14R1.882 C#CCCCNCc1ccccc1I 207a_100000718082_100000010305 [0,2,0,0,0,0|1,0,1]=4 36517 B14R1.882 C#CCCCNCc1ccccc1I 270004a_100000718082_100000010305 [0,2,0,0,0,0|1,0,1]=4 36518 B14R1.882 C#CCCCNCc1ccccc1I 34a_100000718082_100011215278 [0,2,0,0,0,0|1,0,1]=4 36519 B14R1.882 C#CCCCNCc1ccccc1O 34a_100000185550_100000695029 [0,2,0,0,0,0|1,0,1]=4 36520 B14R1.882 C#CCCCOCc1ccccc1Br 34a_100000215630_100000184730 [0,2,0,0,0,0|1,0,1]=4 36521 B14R1.882 C#CCCCOCc1ccccc1Br 34a_100000756307_100000695029 [0,2,0,0,0,0|1,0,1]=4 36522 B14R1.882 C#CCCCOCc1ccccc1Br 7a_100000215630_100000184730 [0,2,0,0,0,0|1,0,1]=4 36523 B14R1.882 C#CCCCOCc1ccccc1Br 7a_100000756307_100011215417 [0,2,0,0,0,0|1,0,1]=4 36524 B14R1.882 C#CCCCOCc1ccccc1C 34a_100000215630_100000211839 [0,2,0,0,0,0|1,0,1]=4 36525 B14R1.882 C#CCCCOCc1ccccc1C 34a_100000698903_100000695029 [0,2,0,0,0,0|1,0,1]=4 36526 B14R1.882 C#CCCCOCc1ccccc1C 7a_100000215630_100000211839 [0,2,0,0,0,0|1,0,1]=4 36527 B14R1.882 C#CCCCOCc1ccccc1C 7a_100000698903_100011215417 [0,2,0,0,0,0|1,0,1]=4 36528 B14R1.882 C#CCCCOCc1ccccc1Cl 34a_100000210847_100000695029 [0,2,0,0,0,0|1,0,1]=4 36529 B14R1.882 C#CCCCOCc1ccccc1Cl 34a_100000215630_100000187162 [0,2,0,0,0,0|1,0,1]=4 36530 B14R1.882 C#CCCCOCc1ccccc1Cl 7a_100000210847_100011215417 [0,2,0,0,0,0|1,0,1]=4 36531 B14R1.882 C#CCCCOCc1ccccc1Cl 7a_100000215630_100000187162 [0,2,0,0,0,0|1,0,1]=4 36532 B14R1.882 C#CCCCOCc1ccccc1F 34a_100000211962_100000695029 [0,2,0,0,0,0|1,0,1]=4 36533 B14R1.882 C#CCCCOCc1ccccc1F 34a_100000215630_100000211605 [0,2,0,0,0,0|1,0,1]=4 36534 B14R1.882 C#CCCCOCc1ccccc1F 7a_100000211962_100011215417 [0,2,0,0,0,0|1,0,1]=4 36535 B14R1.882 C#CCCCOCc1ccccc1F 7a_100000215630_100000211605 [0,2,0,0,0,0|1,0,1]=4 36536 B14R1.882 C#CCCCOCc1ccccc1I 34a_100000187465_100000695029 [0,2,0,0,0,0|1,0,1]=4 36537 B14R1.882 C#CCCCOCc1ccccc1I 34a_100000215630_100011215278 [0,2,0,0,0,0|1,0,1]=4 36538 B14R1.882 C#CCCCOCc1ccccc1I 7a_100000187465_100011215417 [0,2,0,0,0,0|1,0,1]=4 36539 B14R1.882 C#CCCCOCc1ccccc1I 7a_100000215630_100011215278 [0,2,0,0,0,0|1,0,1]=4 36540 B14R1.882 C#CCCCOCc1ccccc1N 34a_100000212039_100000695029 [0,2,0,0,0,0|1,0,1]=4 36541 B14R1.882 C#CCCCSCc1ccccc1Br 62a_100000184730_100011215417 [0,2,0,0,0,0|1,0,1]=4 36542 B14R1.882 C#CCCCSCc1ccccc1Br 62a_100011215417_100000184730 [0,2,0,0,0,0|1,0,1]=4 36543 B14R1.882 C#CCCCSCc1ccccc1C 62a_100000211839_100011215417 [0,2,0,0,0,0|1,0,1]=4 36544 B14R1.882 C#CCCCSCc1ccccc1C 62a_100011215417_100000211839 [0,2,0,0,0,0|1,0,1]=4 36545 B14R1.882 C#CCCCSCc1ccccc1Cl 62a_100000187162_100011215417 [0,2,0,0,0,0|1,0,1]=4 36546 B14R1.882 C#CCCCSCc1ccccc1Cl 62a_100011215417_100000187162 [0,2,0,0,0,0|1,0,1]=4 36547 B14R1.882 C#CCCCSCc1ccccc1F 62a_100000211605_100011215417 [0,2,0,0,0,0|1,0,1]=4 36548 B14R1.882 C#CCCCSCc1ccccc1F 62a_100011215417_100000211605 [0,2,0,0,0,0|1,0,1]=4 36549 B14R1.882 C#CCCCSCc1ccccc1I 62a_100011215417_100011216222 [0,2,0,0,0,0|1,0,1]=4 36550 B14R1.882 C#CCCCSCc1ccccc1I 62a_100011216222_100011215417 [0,2,0,0,0,0|1,0,1]=4 36551 B14R1.882 C#CCCNCCc1ccccc1Br 2230a_100000747383_100000688953 [0,2,0,0,0,0|1,0,1]=4 36552 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000747383_100000688953 [0,2,0,0,0,0|1,0,1]=4 36553 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000755551_100012161201 [0,2,0,0,0,0|1,0,1]=4 36554 B14R1.882 C#CCCNCCc1ccccc1C 2230a_100000685071_100000688953 [0,2,0,0,0,0|1,0,1]=4 36555 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000685071_100000688953 [0,2,0,0,0,0|1,0,1]=4 36556 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000755551_100011713688 [0,2,0,0,0,0|1,0,1]=4 36557 B14R1.882 C#CCCNCCc1ccccc1Cl 2230a_100011207228_100000688953 [0,2,0,0,0,0|1,0,1]=4 36558 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100000755551_100011713703 [0,2,0,0,0,0|1,0,1]=4 36559 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100011207228_100000688953 [0,2,0,0,0,0|1,0,1]=4 36560 B14R1.882 C#CCCNCCc1ccccc1F 2230a_100000185272_100000688953 [0,2,0,0,0,0|1,0,1]=4 36561 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000185272_100000688953 [0,2,0,0,0,0|1,0,1]=4 36562 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000755551_100000720011 [0,2,0,0,0,0|1,0,1]=4 36563 B14R1.882 C#CCCNCCc1ccccc1O 34a_100000755551_100000722297 [0,2,0,0,0,0|1,0,1]=4 36564 B14R1.882 C#CCCNCCc1ccccc1O 34a_100011207237_100000688953 [0,2,0,0,0,0|1,0,1]=4 36565 B14R1.882 C#CCCOCCc1ccccc1Br 34a_100000731337_100000688953 [0,2,0,0,0,0|1,0,1]=4 36566 B14R1.882 C#CCCOCCc1ccccc1Br 34a_100011215631_100012161201 [0,2,0,0,0,0|1,0,1]=4 36567 B14R1.882 C#CCCOCCc1ccccc1Br 7a_100000731337_100000688953 [0,2,0,0,0,0|1,0,1]=4 36568 B14R1.882 C#CCCOCCc1ccccc1C 34a_100011215631_100011713688 [0,2,0,0,0,0|1,0,1]=4 36569 B14R1.882 C#CCCOCCc1ccccc1C 34a_100011220023_100000688953 [0,2,0,0,0,0|1,0,1]=4 36570 B14R1.882 C#CCCOCCc1ccccc1C 7a_100011220023_100000688953 [0,2,0,0,0,0|1,0,1]=4 36571 B14R1.882 C#CCCOCCc1ccccc1Cl 34a_100011215284_100000688953 [0,2,0,0,0,0|1,0,1]=4 36572 B14R1.882 C#CCCOCCc1ccccc1Cl 34a_100011215631_100011713703 [0,2,0,0,0,0|1,0,1]=4 36573 B14R1.882 C#CCCOCCc1ccccc1Cl 7a_100011215284_100000688953 [0,2,0,0,0,0|1,0,1]=4 36574 B14R1.882 C#CCCOCCc1ccccc1F 34a_100000753711_100000688953 [0,2,0,0,0,0|1,0,1]=4 36575 B14R1.882 C#CCCOCCc1ccccc1F 34a_100011215631_100000720011 [0,2,0,0,0,0|1,0,1]=4 36576 B14R1.882 C#CCCOCCc1ccccc1F 7a_100000753711_100000688953 [0,2,0,0,0,0|1,0,1]=4 36577 B14R1.882 C#CCCOCCc1ccccc1I 34a_100010255290_100000688953 [0,2,0,0,0,0|1,0,1]=4 36578 B14R1.882 C#CCCOCCc1ccccc1I 7a_100010255290_100000688953 [0,2,0,0,0,0|1,0,1]=4 36579 B14R1.882 C#CCCOCCc1ccccc1N 34a_100011215289_100000688953 [0,2,0,0,0,0|1,0,1]=4 36580 B14R1.882 C#CCCOCCc1ccccc1O 34a_100011215631_100000722297 [0,2,0,0,0,0|1,0,1]=4 36581 B14R1.882 C#CCCSCCc1ccccc1Br 62a_100000688953_100012161201 [0,2,0,0,0,0|1,0,1]=4 36582 B14R1.882 C#CCCSCCc1ccccc1Br 62a_100012161201_100000688953 [0,2,0,0,0,0|1,0,1]=4 36583 B14R1.882 C#CCCSCCc1ccccc1C 62a_100000688953_100011713688 [0,2,0,0,0,0|1,0,1]=4 36584 B14R1.882 C#CCCSCCc1ccccc1C 62a_100011713688_100000688953 [0,2,0,0,0,0|1,0,1]=4 36585 B14R1.882 C#CCCSCCc1ccccc1Cl 62a_100000688953_100011713703 [0,2,0,0,0,0|1,0,1]=4 36586 B14R1.882 C#CCCSCCc1ccccc1Cl 62a_100011713703_100000688953 [0,2,0,0,0,0|1,0,1]=4 36587 B14R1.882 C#CCCSCCc1ccccc1F 62a_100000688953_100011713696 [0,2,0,0,0,0|1,0,1]=4 36588 B14R1.882 C#CCCSCCc1ccccc1F 62a_100011713696_100000688953 [0,2,0,0,0,0|1,0,1]=4 36589 B14R1.882 C#CCCSCCc1ccccc1O 62a_100000688953_100000722297 [0,2,0,0,0,0|1,0,1]=4 36590 B14R1.882 C#CCCSCCc1ccccc1O 62a_100000722297_100000688953 [0,2,0,0,0,0|1,0,1]=4 36591 B14R1.882 C#CCNCCCc1ccccc1Br 34a_100000212058_200011713681 [0,2,0,0,0,0|1,0,1]=4 36592 B14R1.882 C#CCNCCCc1ccccc1F 2230a_100000724733_100000038162 [0,2,0,0,0,0|1,0,1]=4 36593 B14R1.882 C#CCNCCCc1ccccc1F 34a_100000724733_100000184674 [0,2,0,0,0,0|1,0,1]=4 36594 B14R1.882 C#CCOCCCc1ccccc1Br 34a_100000210247_200011713681 [0,2,0,0,0,0|1,0,1]=4 36595 B14R1.882 C#CCOCCCc1ccccc1Br 34a_100000699526_100000184674 [0,2,0,0,0,0|1,0,1]=4 36596 B14R1.882 C#CCOCCCc1ccccc1Br 7a_100000699526_100000038162 [0,2,0,0,0,0|1,0,1]=4 36597 B14R1.882 C#CCOCCCc1ccccc1Cl 34a_100011709251_100000184674 [0,2,0,0,0,0|1,0,1]=4 36598 B14R1.882 C#CCOCCCc1ccccc1Cl 7a_100011709251_100000038162 [0,2,0,0,0,0|1,0,1]=4 36599 B14R1.882 C#CCOCCCc1ccccc1F 34a_100011709249_100000184674 [0,2,0,0,0,0|1,0,1]=4 36600 B14R1.882 C#CCOCCCc1ccccc1F 7a_100011709249_100000038162 [0,2,0,0,0,0|1,0,1]=4 36601 B14R1.882 C#CCSCCCc1ccccc1Br 62a_100000038162_200011713681 [0,2,0,0,0,0|1,0,1]=4 36602 B14R1.882 C=CCCCCNc1ccccc1Br 34a_100000210017_100011215482 [0,2,0,0,0,0|1,0,1]=4 36603 B14R1.882 C=CCCCCNc1ccccc1C 34a_100015192222_100011215482 [0,2,0,0,0,0|1,0,1]=4 36604 B14R1.882 C=CCCCCNc1ccccc1Cl 34a_100000185783_100011215482 [0,2,0,0,0,0|1,0,1]=4 36605 B14R1.882 C=CCCCCNc1ccccc1F 34a_100000210422_100011215482 [0,2,0,0,0,0|1,0,1]=4 36606 B14R1.882 C=CCCCCNc1ccccc1I 34a_100000210053_100011215482 [0,2,0,0,0,0|1,0,1]=4 36607 B14R1.882 C=CCCCCNc1ccccc1O 34a_100000185747_100011215482 [0,2,0,0,0,0|1,0,1]=4 36608 B14R1.882 C=CCCCCOc1ccccc1Br 34a_100000181306_100011215482 [0,2,0,0,0,0|1,0,1]=4 36609 B14R1.882 C=CCCCCOc1ccccc1Br 7a_100000181306_100011215482 [0,2,0,0,0,0|1,0,1]=4 36610 B14R1.882 C=CCCCCOc1ccccc1C 34a_100000210338_100011215482 [0,2,0,0,0,0|1,0,1]=4 36611 B14R1.882 C=CCCCCOc1ccccc1C 7a_100000210338_100011215482 [0,2,0,0,0,0|1,0,1]=4 36612 B14R1.882 C=CCCCCOc1ccccc1Cl 34a_100000210172_100011215482 [0,2,0,0,0,0|1,0,1]=4 36613 B14R1.882 C=CCCCCOc1ccccc1Cl 7a_100000210172_100011215482 [0,2,0,0,0,0|1,0,1]=4 36614 B14R1.882 C=CCCCCOc1ccccc1F 34a_100000210171_100011215482 [0,2,0,0,0,0|1,0,1]=4 36615 B14R1.882 C=CCCCCOc1ccccc1F 7a_100000210171_100011215482 [0,2,0,0,0,0|1,0,1]=4 36616 B14R1.882 C=CCCCCOc1ccccc1I 34a_100000739446_100011215482 [0,2,0,0,0,0|1,0,1]=4 36617 B14R1.882 C=CCCCCOc1ccccc1I 7a_100000739446_100011215482 [0,2,0,0,0,0|1,0,1]=4 36618 B14R1.882 C=CCCCCOc1ccccc1N 34a_100000185747_100011215482 [0,2,0,0,0,0|1,0,1]=4 36619 B14R1.882 C=CCCCCOc1ccccc1N 7a_100000185747_100011215482 [0,2,0,0,0,0|1,0,1]=4 36620 B14R1.882 C=CCCCCSc1ccccc1Br 62a_100000695589_100011215482 [0,2,0,0,0,0|1,0,1]=4 36621 B14R1.882 C=CCCCCSc1ccccc1Br 62a_100011215482_100000695589 [0,2,0,0,0,0|1,0,1]=4 36622 B14R1.882 C=CCCCCSc1ccccc1C 62a_100000210755_100011215482 [0,2,0,0,0,0|1,0,1]=4 36623 B14R1.882 C=CCCCCSc1ccccc1C 62a_100011215482_100000210755 [0,2,0,0,0,0|1,0,1]=4 36624 B14R1.882 C=CCCCCSc1ccccc1Cl 62a_100000764095_100011215482 [0,2,0,0,0,0|1,0,1]=4 36625 B14R1.882 C=CCCCCSc1ccccc1Cl 62a_100011215482_100000764095 [0,2,0,0,0,0|1,0,1]=4 36626 B14R1.882 C=CCCCCSc1ccccc1F 62a_100011215482_100011215700 [0,2,0,0,0,0|1,0,1]=4 36627 B14R1.882 C=CCCCCSc1ccccc1F 62a_100011215700_100011215482 [0,2,0,0,0,0|1,0,1]=4 36628 B14R1.882 C=CCCCCSc1ccccc1N 62a_100000210017_100011215482 [0,2,0,0,0,0|1,0,1]=4 36629 B14R1.882 C=CCCCCSc1ccccc1N 62a_100011215482_100000210017 [0,2,0,0,0,0|1,0,1]=4 36630 B14R1.882 C=CCCCCSc1ccccc1O 62a_100000739446_100011215482 [0,2,0,0,0,0|1,0,1]=4 36631 B14R1.882 C=CCCCCSc1ccccc1O 62a_100011215482_100000739446 [0,2,0,0,0,0|1,0,1]=4 36632 B14R1.882 C=CCCCNCc1ccccc1Br 2230a_100000689332_100011713584 [0,2,0,0,0,0|1,0,1]=4 36633 B14R1.882 C=CCCCNCc1ccccc1Br 2230a_100000700776_100000184730 [0,2,0,0,0,0|1,0,1]=4 36634 B14R1.882 C=CCCCNCc1ccccc1Br 270004a_100000700776_100000211189 [0,2,0,0,0,0|1,0,1]=4 36635 B14R1.882 C=CCCCNCc1ccccc1Br 34a_100000689332_100000757094 [0,2,0,0,0,0|1,0,1]=4 36636 B14R1.882 C=CCCCNCc1ccccc1Br 34a_100000700776_100000184730 [0,2,0,0,0,0|1,0,1]=4 36637 B14R1.882 C=CCCCNCc1ccccc1C 2230a_100000700776_100000211839 [0,2,0,0,0,0|1,0,1]=4 36638 B14R1.882 C=CCCCNCc1ccccc1C 270004a_100000700776_100000211143 [0,2,0,0,0,0|1,0,1]=4 36639 B14R1.882 C=CCCCNCc1ccccc1C 34a_100000174972_100000757094 [0,2,0,0,0,0|1,0,1]=4 36640 B14R1.882 C=CCCCNCc1ccccc1C 34a_100000700776_100000211839 [0,2,0,0,0,0|1,0,1]=4 36641 B14R1.882 C=CCCCNCc1ccccc1Cl 2230a_100000174879_100011713584 [0,2,0,0,0,0|1,0,1]=4 36642 B14R1.882 C=CCCCNCc1ccccc1Cl 2230a_100000700776_100000187162 [0,2,0,0,0,0|1,0,1]=4 36643 B14R1.882 C=CCCCNCc1ccccc1Cl 270004a_100000700776_100000210073 [0,2,0,0,0,0|1,0,1]=4 36644 B14R1.882 C=CCCCNCc1ccccc1Cl 34a_100000174879_100000757094 [0,2,0,0,0,0|1,0,1]=4 36645 B14R1.882 C=CCCCNCc1ccccc1Cl 34a_100000700776_100000187162 [0,2,0,0,0,0|1,0,1]=4 36646 B14R1.882 C=CCCCNCc1ccccc1F 2230a_100000700776_100000211605 [0,2,0,0,0,0|1,0,1]=4 36647 B14R1.882 C=CCCCNCc1ccccc1F 270004a_100000700776_100000210811 [0,2,0,0,0,0|1,0,1]=4 36648 B14R1.882 C=CCCCNCc1ccccc1F 34a_100000174869_100000757094 [0,2,0,0,0,0|1,0,1]=4 36649 B14R1.882 C=CCCCNCc1ccccc1F 34a_100000700776_100000211605 [0,2,0,0,0,0|1,0,1]=4 36650 B14R1.882 C=CCCCNCc1ccccc1I 2230a_100000700776_100011215278 [0,2,0,0,0,0|1,0,1]=4 36651 B14R1.882 C=CCCCNCc1ccccc1I 270004a_100000700776_100000010305 [0,2,0,0,0,0|1,0,1]=4 36652 B14R1.882 C=CCCCNCc1ccccc1I 34a_100000700776_100011215278 [0,2,0,0,0,0|1,0,1]=4 36653 B14R1.882 C=CCCCNCc1ccccc1O 34a_100000185550_100000757094 [0,2,0,0,0,0|1,0,1]=4 36654 B14R1.882 C=CCCCOCc1ccccc1Br 34a_100000756307_100000757094 [0,2,0,0,0,0|1,0,1]=4 36655 B14R1.882 C=CCCCOCc1ccccc1Br 34a_100000758997_100000184730 [0,2,0,0,0,0|1,0,1]=4 36656 B14R1.882 C=CCCCOCc1ccccc1Br 7a_100000756307_100000757094 [0,2,0,0,0,0|1,0,1]=4 36657 B14R1.882 C=CCCCOCc1ccccc1Br 7a_100000758997_100000184730 [0,2,0,0,0,0|1,0,1]=4 36658 B14R1.882 C=CCCCOCc1ccccc1C 34a_100000698903_100000757094 [0,2,0,0,0,0|1,0,1]=4 36659 B14R1.882 C=CCCCOCc1ccccc1C 34a_100000758997_100000211839 [0,2,0,0,0,0|1,0,1]=4 36660 B14R1.882 C=CCCCOCc1ccccc1C 7a_100000698903_100000757094 [0,2,0,0,0,0|1,0,1]=4 36661 B14R1.882 C=CCCCOCc1ccccc1C 7a_100000758997_100000211839 [0,2,0,0,0,0|1,0,1]=4 36662 B14R1.882 C=CCCCOCc1ccccc1Cl 34a_100000210847_100000757094 [0,2,0,0,0,0|1,0,1]=4 36663 B14R1.882 C=CCCCOCc1ccccc1Cl 34a_100000758997_100000187162 [0,2,0,0,0,0|1,0,1]=4 36664 B14R1.882 C=CCCCOCc1ccccc1Cl 7a_100000210847_100000757094 [0,2,0,0,0,0|1,0,1]=4 36665 B14R1.882 C=CCCCOCc1ccccc1Cl 7a_100000758997_100000187162 [0,2,0,0,0,0|1,0,1]=4 36666 B14R1.882 C=CCCCOCc1ccccc1F 34a_100000211962_100000757094 [0,2,0,0,0,0|1,0,1]=4 36667 B14R1.882 C=CCCCOCc1ccccc1F 34a_100000758997_100000211605 [0,2,0,0,0,0|1,0,1]=4 36668 B14R1.882 C=CCCCOCc1ccccc1F 7a_100000211962_100000757094 [0,2,0,0,0,0|1,0,1]=4 36669 B14R1.882 C=CCCCOCc1ccccc1F 7a_100000758997_100000211605 [0,2,0,0,0,0|1,0,1]=4 36670 B14R1.882 C=CCCCOCc1ccccc1I 34a_100000187465_100000757094 [0,2,0,0,0,0|1,0,1]=4 36671 B14R1.882 C=CCCCOCc1ccccc1I 34a_100000758997_100011215278 [0,2,0,0,0,0|1,0,1]=4 36672 B14R1.882 C=CCCCOCc1ccccc1I 7a_100000187465_100000757094 [0,2,0,0,0,0|1,0,1]=4 36673 B14R1.882 C=CCCCOCc1ccccc1I 7a_100000758997_100011215278 [0,2,0,0,0,0|1,0,1]=4 36674 B14R1.882 C=CCCCOCc1ccccc1N 34a_100000212039_100000757094 [0,2,0,0,0,0|1,0,1]=4 36675 B14R1.882 C=CCCCSCc1ccccc1Br 62a_100000184730_100000757094 [0,2,0,0,0,0|1,0,1]=4 36676 B14R1.882 C=CCCCSCc1ccccc1Br 62a_100011713584_100000184730 [0,2,0,0,0,0|1,0,1]=4 36677 B14R1.882 C=CCCCSCc1ccccc1C 62a_100000211839_100000757094 [0,2,0,0,0,0|1,0,1]=4 36678 B14R1.882 C=CCCCSCc1ccccc1C 62a_100011713584_100000211839 [0,2,0,0,0,0|1,0,1]=4 36679 B14R1.882 C=CCCCSCc1ccccc1Cl 62a_100000187162_100000757094 [0,2,0,0,0,0|1,0,1]=4 36680 B14R1.882 C=CCCCSCc1ccccc1Cl 62a_100011713584_100000187162 [0,2,0,0,0,0|1,0,1]=4 36681 B14R1.882 C=CCCCSCc1ccccc1F 62a_100000211605_100000757094 [0,2,0,0,0,0|1,0,1]=4 36682 B14R1.882 C=CCCCSCc1ccccc1F 62a_100011713584_100000211605 [0,2,0,0,0,0|1,0,1]=4 36683 B14R1.882 C=CCCCSCc1ccccc1I 62a_100011216222_100000757094 [0,2,0,0,0,0|1,0,1]=4 36684 B14R1.882 C=CCCCSCc1ccccc1I 62a_100011713584_100011216222 [0,2,0,0,0,0|1,0,1]=4 36685 B14R1.882 C=CCCNCCc1ccccc1Br 2230a_100000747383_100000754431 [0,2,0,0,0,0|1,0,1]=4 36686 B14R1.882 C=CCCNCCc1ccccc1Br 2230a_100015191253_100012161201 [0,2,0,0,0,0|1,0,1]=4 36687 B14R1.882 C=CCCNCCc1ccccc1Br 34a_100000747383_100000754431 [0,2,0,0,0,0|1,0,1]=4 36688 B14R1.882 C=CCCNCCc1ccccc1C 2230a_100000685071_100000754431 [0,2,0,0,0,0|1,0,1]=4 36689 B14R1.882 C=CCCNCCc1ccccc1C 2230a_100015191253_100011713688 [0,2,0,0,0,0|1,0,1]=4 36690 B14R1.882 C=CCCNCCc1ccccc1C 34a_100000685071_100000754431 [0,2,0,0,0,0|1,0,1]=4 36691 B14R1.882 C=CCCNCCc1ccccc1Cl 2230a_100011207228_100000754431 [0,2,0,0,0,0|1,0,1]=4 36692 B14R1.882 C=CCCNCCc1ccccc1Cl 2230a_100015191253_100011713703 [0,2,0,0,0,0|1,0,1]=4 36693 B14R1.882 C=CCCNCCc1ccccc1Cl 270004a_100015191253_200011713468 [0,2,0,0,0,0|1,0,1]=4 36694 B14R1.882 C=CCCNCCc1ccccc1Cl 34a_100011207228_100000754431 [0,2,0,0,0,0|1,0,1]=4 36695 B14R1.882 C=CCCNCCc1ccccc1F 2230a_100000185272_100000754431 [0,2,0,0,0,0|1,0,1]=4 36696 B14R1.882 C=CCCNCCc1ccccc1F 2230a_100015191253_100011713696 [0,2,0,0,0,0|1,0,1]=4 36697 B14R1.882 C=CCCNCCc1ccccc1F 34a_100000185272_100000754431 [0,2,0,0,0,0|1,0,1]=4 36698 B14R1.882 C=CCCNCCc1ccccc1O 34a_100011207237_100000754431 [0,2,0,0,0,0|1,0,1]=4 36699 B14R1.882 C=CCCOCCc1ccccc1Br 34a_100000731337_100000754431 [0,2,0,0,0,0|1,0,1]=4 36700 B14R1.882 C=CCCOCCc1ccccc1Br 34a_100011205117_100012161201 [0,2,0,0,0,0|1,0,1]=4 36701 B14R1.882 C=CCCOCCc1ccccc1Br 7a_100000731337_100000754431 [0,2,0,0,0,0|1,0,1]=4 36702 B14R1.882 C=CCCOCCc1ccccc1C 34a_100011205117_100011713688 [0,2,0,0,0,0|1,0,1]=4 36703 B14R1.882 C=CCCOCCc1ccccc1C 34a_100011220023_100000754431 [0,2,0,0,0,0|1,0,1]=4 36704 B14R1.882 C=CCCOCCc1ccccc1C 7a_100011220023_100000754431 [0,2,0,0,0,0|1,0,1]=4 36705 B14R1.882 C=CCCOCCc1ccccc1Cl 34a_100011205117_100011713703 [0,2,0,0,0,0|1,0,1]=4 36706 B14R1.882 C=CCCOCCc1ccccc1Cl 34a_100011215284_100000754431 [0,2,0,0,0,0|1,0,1]=4 36707 B14R1.882 C=CCCOCCc1ccccc1Cl 7a_100011215284_100000754431 [0,2,0,0,0,0|1,0,1]=4 36708 B14R1.882 C=CCCOCCc1ccccc1F 34a_100000753711_100000754431 [0,2,0,0,0,0|1,0,1]=4 36709 B14R1.882 C=CCCOCCc1ccccc1F 34a_100011205117_100000720011 [0,2,0,0,0,0|1,0,1]=4 36710 B14R1.882 C=CCCOCCc1ccccc1F 7a_100000753711_100000754431 [0,2,0,0,0,0|1,0,1]=4 36711 B14R1.882 C=CCCOCCc1ccccc1I 34a_100010255290_100000754431 [0,2,0,0,0,0|1,0,1]=4 36712 B14R1.882 C=CCCOCCc1ccccc1I 7a_100010255290_100000754431 [0,2,0,0,0,0|1,0,1]=4 36713 B14R1.882 C=CCCOCCc1ccccc1N 34a_100011215289_100000754431 [0,2,0,0,0,0|1,0,1]=4 36714 B14R1.882 C=CCCOCCc1ccccc1O 34a_100011205117_100000722297 [0,2,0,0,0,0|1,0,1]=4 36715 B14R1.882 C=CCCSCCc1ccccc1Br 62a_100000754431_100012161201 [0,2,0,0,0,0|1,0,1]=4 36716 B14R1.882 C=CCCSCCc1ccccc1Br 62a_100012161201_100000754431 [0,2,0,0,0,0|1,0,1]=4 36717 B14R1.882 C=CCCSCCc1ccccc1C 62a_100000754431_100011713688 [0,2,0,0,0,0|1,0,1]=4 36718 B14R1.882 C=CCCSCCc1ccccc1C 62a_100011713688_100000754431 [0,2,0,0,0,0|1,0,1]=4 36719 B14R1.882 C=CCCSCCc1ccccc1Cl 62a_100000754431_100011713703 [0,2,0,0,0,0|1,0,1]=4 36720 B14R1.882 C=CCCSCCc1ccccc1Cl 62a_100011713703_100000754431 [0,2,0,0,0,0|1,0,1]=4 36721 B14R1.882 C=CCCSCCc1ccccc1F 62a_100000754431_100011713696 [0,2,0,0,0,0|1,0,1]=4 36722 B14R1.882 C=CCCSCCc1ccccc1F 62a_100011713696_100000754431 [0,2,0,0,0,0|1,0,1]=4 36723 B14R1.882 C=CCCSCCc1ccccc1O 62a_100000722297_100000754431 [0,2,0,0,0,0|1,0,1]=4 36724 B14R1.882 C=CCCSCCc1ccccc1O 62a_100000754431_100000722297 [0,2,0,0,0,0|1,0,1]=4 36725 B14R1.882 C=CCNCCCc1ccccc1Br 2230a_100020586998_200011713681 [0,2,0,0,0,0|1,0,1]=4 36726 B14R1.882 C=CCNCCCc1ccccc1F 2230a_100000724733_100000210623 [0,2,0,0,0,0|1,0,1]=4 36727 B14R1.882 C=CCNCCCc1ccccc1F 34a_100000724733_100015514636 [0,2,0,0,0,0|1,0,1]=4 36728 B14R1.882 C=CCOCCCc1ccccc1Br 34a_100000699526_100015514636 [0,2,0,0,0,0|1,0,1]=4 36729 B14R1.882 C=CCOCCCc1ccccc1Br 34a_200000210373_200011713681 [0,2,0,0,0,0|1,0,1]=4 36730 B14R1.882 C=CCOCCCc1ccccc1Br 7a_100000699526_100015514636 [0,2,0,0,0,0|1,0,1]=4 36731 B14R1.882 C=CCOCCCc1ccccc1Cl 34a_100011709251_100015514636 [0,2,0,0,0,0|1,0,1]=4 36732 B14R1.882 C=CCOCCCc1ccccc1Cl 7a_100011709251_100015514636 [0,2,0,0,0,0|1,0,1]=4 36733 B14R1.882 C=CCOCCCc1ccccc1F 34a_100011709249_100015514636 [0,2,0,0,0,0|1,0,1]=4 36734 B14R1.882 C=CCOCCCc1ccccc1F 7a_100011709249_100015514636 [0,2,0,0,0,0|1,0,1]=4 36735 B14R1.882 C=CCSCCCc1ccccc1Br 62a_100000210623_200011713681 [0,2,0,0,0,0|1,0,1]=4 36736 B14R1.882 C=CCSCCCc1ccccc1Br 62a_200011713681_100000210623 [0,2,0,0,0,0|1,0,1]=4 36737 B14R1.882 CCCCCC=Cc1ccccc1Br 271570a_100000062253_100000695589 [0,2,0,0,0,0|1,0,1]=4 36738 B14R1.882 CCCCCC=Cc1ccccc1C 271570a_100000062253_100000210755 [0,2,0,0,0,0|1,0,1]=4 36739 B14R1.882 CCCCCC=Cc1ccccc1Cl 271570a_100000062253_100000764095 [0,2,0,0,0,0|1,0,1]=4 36740 B14R1.882 CCCCCC=Cc1ccccc1F 271570a_100000062253_100011215700 [0,2,0,0,0,0|1,0,1]=4 36741 B14R1.882 CCCCCC=Cc1ccccc1N 271570a_100000062253_100000210017 [0,2,0,0,0,0|1,0,1]=4 36742 B14R1.882 CCCCCC=Cc1ccccc1O 271570a_100000062253_100000739446 [0,2,0,0,0,0|1,0,1]=4 36743 B14R1.882 CCCCCCNc1ccccc1Br 34a_100000210017_100000210314 [0,2,0,0,0,0|1,0,0]=3 36744 B14R1.882 CCCCCCNc1ccccc1C 34a_100015192222_100000210314 [0,2,0,0,0,0|1,0,0]=3 36745 B14R1.882 CCCCCCNc1ccccc1Cl 34a_100000185783_100000210314 [0,2,0,0,0,0|1,0,0]=3 36746 B14R1.882 CCCCCCNc1ccccc1F 34a_100000210422_100000210314 [0,2,0,0,0,0|1,0,0]=3 36747 B14R1.882 CCCCCCNc1ccccc1I 34a_100000210053_100000210314 [0,2,0,0,0,0|1,0,0]=3 36748 B14R1.882 CCCCCCNc1ccccc1O 34a_100000185747_100000210314 [0,2,0,0,0,0|1,0,0]=3 36749 B14R1.882 CCCCCCNc1ccncc1Br 27a_100000210581_100000726257 [0,2,0,0,0,0|2,0,0]=4 36750 B14R1.882 CCCCCCNc1ccncc1C 27a_100000210581_100000765111 [0,2,0,0,0,0|2,0,0]=4 36751 B14R1.882 CCCCCCNc1ccncc1F 27a_100000210581_100000035921 [0,2,0,0,0,0|2,0,0]=4 36752 B14R1.882 CCCCCCNc1ncccc1Br 27a_100000210581_100000696092 [0,2,0,0,0,0|2,0,0]=4 36753 B14R1.882 CCCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000210314 [0,2,0,0,0,0|2,0,0]=4 36754 B14R1.882 CCCCCCOc1ccccc1Br 34a_100000181306_100000210314 [0,2,0,0,0,0|1,0,0]=3 36755 B14R1.882 CCCCCCOc1ccccc1Br 7a_100000181306_100000210314 [0,2,0,0,0,0|1,0,0]=3 36756 B14R1.882 CCCCCCOc1ccccc1C 34a_100000210338_100000210314 [0,2,0,0,0,0|1,0,0]=3 36757 B14R1.882 CCCCCCOc1ccccc1C 7a_100000210338_100000210314 [0,2,0,0,0,0|1,0,0]=3 36758 B14R1.882 CCCCCCOc1ccccc1Cl 34a_100000210172_100000210314 [0,2,0,0,0,0|1,0,0]=3 36759 B14R1.882 CCCCCCOc1ccccc1Cl 7a_100000210172_100000210314 [0,2,0,0,0,0|1,0,0]=3 36760 B14R1.882 CCCCCCOc1ccccc1F 34a_100000210171_100000210314 [0,2,0,0,0,0|1,0,0]=3 36761 B14R1.882 CCCCCCOc1ccccc1F 7a_100000210171_100000210314 [0,2,0,0,0,0|1,0,0]=3 36762 B14R1.882 CCCCCCOc1ccccc1I 34a_100000739446_100000210314 [0,2,0,0,0,0|1,0,0]=3 36763 B14R1.882 CCCCCCOc1ccccc1I 7a_100000739446_100000210314 [0,2,0,0,0,0|1,0,0]=3 36764 B14R1.882 CCCCCCOc1ccccc1N 34a_100000185747_100000210314 [0,2,0,0,0,0|1,0,0]=3 36765 B14R1.882 CCCCCCOc1ccccc1N 7a_100000185747_100000210314 [0,2,0,0,0,0|1,0,0]=3 36766 B14R1.882 CCCCCCOc1cccnc1Br 34a_100000744436_100000210314 [0,2,0,0,0,0|2,0,0]=4 36767 B14R1.882 CCCCCCOc1cccnc1Br 7a_100000744436_100000210314 [0,2,0,0,0,0|2,0,0]=4 36768 B14R1.882 CCCCCCOc1cccnc1C 34a_100000745507_100000210314 [0,2,0,0,0,0|2,0,0]=4 36769 B14R1.882 CCCCCCOc1cccnc1C 7a_100000745507_100000210314 [0,2,0,0,0,0|2,0,0]=4 36770 B14R1.882 CCCCCCOc1cccnc1Cl 34a_100000757616_100000210314 [0,2,0,0,0,0|2,0,0]=4 36771 B14R1.882 CCCCCCOc1cccnc1Cl 7a_100000757616_100000210314 [0,2,0,0,0,0|2,0,0]=4 36772 B14R1.882 CCCCCCOc1cccnc1F 34a_100000061740_100000210314 [0,2,0,0,0,0|2,0,0]=4 36773 B14R1.882 CCCCCCOc1cccnc1F 7a_100000061740_100000210314 [0,2,0,0,0,0|2,0,0]=4 36774 B14R1.882 CCCCCCOc1cccnc1I 34a_100000034122_100000210314 [0,2,0,0,0,0|2,0,0]=4 36775 B14R1.882 CCCCCCOc1cccnc1I 7a_100000034122_100000210314 [0,2,0,0,0,0|2,0,0]=4 36776 B14R1.882 CCCCCCOc1cccnc1N 34a_100000211975_100000210314 [0,2,0,0,0,0|2,0,0]=4 36777 B14R1.882 CCCCCCOc1cccnc1N 7a_100000211975_100000210314 [0,2,0,0,0,0|2,0,0]=4 36778 B14R1.882 CCCCCCOc1cccoc1=O 34a_100000077404_100000210314 [0,2,0,0,0,0|2,0,0]=4 36779 B14R1.882 CCCCCCOc1cccoc1=O 7a_100000077404_100000210314 [0,2,0,0,0,0|2,0,0]=4 36780 B14R1.882 CCCCCCOc1ccncc1Br 34a_100011996408_100000210314 [0,2,0,0,0,0|2,0,0]=4 36781 B14R1.882 CCCCCCOc1ccncc1C 34a_100000694293_100000210314 [0,2,0,0,0,0|2,0,0]=4 36782 B14R1.882 CCCCCCOc1ccncc1Cl 34a_100011997054_100000210314 [0,2,0,0,0,0|2,0,0]=4 36783 B14R1.882 CCCCCCOc1ccncc1F 34a_200000081243_100000210314 [0,2,0,0,0,0|2,0,0]=4 36784 B14R1.882 CCCCCCOc1cnccc1C 34a_100011997053_100000210314 [0,2,0,0,0,0|2,0,0]=4 36785 B14R1.882 CCCCCCOc1cnccc1C 7a_100011997053_100000210314 [0,2,0,0,0,0|2,0,0]=4 36786 B14R1.882 CCCCCCOc1cnccc1Cl 34a_100011996695_100000210314 [0,2,0,0,0,0|2,0,0]=4 36787 B14R1.882 CCCCCCOc1cnccc1I 34a_100000050107_100000210314 [0,2,0,0,0,0|2,0,0]=4 36788 B14R1.882 CCCCCCOc1cnccc1N 34a_100000753702_100000210314 [0,2,0,0,0,0|2,0,0]=4 36789 B14R1.882 CCCCCCOc1coccc1=O 34a_100000060831_100000210314 [0,2,0,0,0,0|2,0,0]=4 36790 B14R1.882 CCCCCCOc1ncccc1Cl 34a_100011290957_100000210314 [0,2,0,0,0,0|2,0,0]=4 36791 B14R1.882 CCCCCCOc1ncccc1F 34a_100011219419_100000210314 [0,2,0,0,0,0|2,0,0]=4 36792 B14R1.882 CCCCCCOc1ncccc1N 34a_100000746358_100000210314 [0,2,0,0,0,0|2,0,0]=4 36793 B14R1.882 CCCCCCSc1c[nH]ccc1=O 62a_100000210314_100009998708 [0,2,0,0,0,0|2,0,0]=4 36794 B14R1.882 CCCCCCSc1c[nH]ccc1=O 62a_100009998708_100000210757 [0,2,0,0,0,0|2,0,0]=4 36795 B14R1.882 CCCCCCSc1c[nH]ccc1=S 62a_100000210314_200012280681 [0,2,0,0,0,0|2,0,0]=4 36796 B14R1.882 CCCCCCSc1c[nH]ccc1=S 62a_200012280681_100000210757 [0,2,0,0,0,0|2,0,0]=4 36797 B14R1.882 CCCCCCSc1cccc[n+]1C 62a_100000210314_100000212160 [0,2,0,0,0,0|2,0,0]=4 36798 B14R1.882 CCCCCCSc1cccc[n+]1[O-] 62a_100000210314_200000042595 [0,2,0,0,0,0|2,0,0]=4 36799 B14R1.882 CCCCCCSc1ccccc1Br 62a_100000210314_100000695589 [0,2,0,0,0,0|1,0,0]=3 36800 B14R1.882 CCCCCCSc1ccccc1Br 62a_100000695589_100000210757 [0,2,0,0,0,0|1,0,0]=3 36801 B14R1.882 CCCCCCSc1ccccc1C 62a_100000210314_100000210755 [0,2,0,0,0,0|1,0,0]=3 36802 B14R1.882 CCCCCCSc1ccccc1C 62a_100000210755_100000210757 [0,2,0,0,0,0|1,0,0]=3 36803 B14R1.882 CCCCCCSc1ccccc1Cl 62a_100000210314_100000764095 [0,2,0,0,0,0|1,0,0]=3 36804 B14R1.882 CCCCCCSc1ccccc1Cl 62a_100000764095_100000210757 [0,2,0,0,0,0|1,0,0]=3 36805 B14R1.882 CCCCCCSc1ccccc1F 62a_100000210314_100011215700 [0,2,0,0,0,0|1,0,0]=3 36806 B14R1.882 CCCCCCSc1ccccc1F 62a_100011215700_100000210757 [0,2,0,0,0,0|1,0,0]=3 36807 B14R1.882 CCCCCCSc1ccccc1N 62a_100000210017_100000210757 [0,2,0,0,0,0|1,0,0]=3 36808 B14R1.882 CCCCCCSc1ccccc1N 62a_100000210314_100000210017 [0,2,0,0,0,0|1,0,0]=3 36809 B14R1.882 CCCCCCSc1ccccc1O 62a_100000210314_100000739446 [0,2,0,0,0,0|1,0,0]=3 36810 B14R1.882 CCCCCCSc1ccccc1O 62a_100000739446_100000210757 [0,2,0,0,0,0|1,0,0]=3 36811 B14R1.882 CCCCCCSc1cccnc1Br 62a_100000210314_100010202626 [0,2,0,0,0,0|2,0,0]=4 36812 B14R1.882 CCCCCCSc1cccnc1Br 62a_100010202626_100000210757 [0,2,0,0,0,0|2,0,0]=4 36813 B14R1.882 CCCCCCSc1cccnc1C 62a_100000210314_100000751574 [0,2,0,0,0,0|2,0,0]=4 36814 B14R1.882 CCCCCCSc1cccnc1C 62a_100000751574_100000210757 [0,2,0,0,0,0|2,0,0]=4 36815 B14R1.882 CCCCCCSc1cccnc1Cl 62a_100000036424_100000210757 [0,2,0,0,0,0|2,0,0]=4 36816 B14R1.882 CCCCCCSc1cccnc1Cl 62a_100000210314_100000036424 [0,2,0,0,0,0|2,0,0]=4 36817 B14R1.882 CCCCCCSc1cccnc1F 62a_100000210314_100009816115 [0,2,0,0,0,0|2,0,0]=4 36818 B14R1.882 CCCCCCSc1cccnc1F 62a_100009816115_100000210757 [0,2,0,0,0,0|2,0,0]=4 36819 B14R1.882 CCCCCCSc1cccnc1N 62a_100000045569_100000210757 [0,2,0,0,0,0|2,0,0]=4 36820 B14R1.882 CCCCCCSc1cccnc1N 62a_100000210314_100000045569 [0,2,0,0,0,0|2,0,0]=4 36821 B14R1.882 CCCCCCSc1cccnc1O 62a_100000210314_100000760158 [0,2,0,0,0,0|2,0,0]=4 36822 B14R1.882 CCCCCCSc1cccnc1O 62a_100000760158_100000210757 [0,2,0,0,0,0|2,0,0]=4 36823 B14R1.882 CCCCCCSc1ccncc1Br 62a_100000210314_100000726257 [0,2,0,0,0,0|2,0,0]=4 36824 B14R1.882 CCCCCCSc1ccncc1Br 62a_100000726257_100000210757 [0,2,0,0,0,0|2,0,0]=4 36825 B14R1.882 CCCCCCSc1ccncc1C 62a_100000210314_100000765111 [0,2,0,0,0,0|2,0,0]=4 36826 B14R1.882 CCCCCCSc1ccncc1C 62a_100000765111_100000210757 [0,2,0,0,0,0|2,0,0]=4 36827 B14R1.882 CCCCCCSc1ccncc1Cl 62a_100000210314_100000708259 [0,2,0,0,0,0|2,0,0]=4 36828 B14R1.882 CCCCCCSc1ccncc1Cl 62a_100000708259_100000210757 [0,2,0,0,0,0|2,0,0]=4 36829 B14R1.882 CCCCCCSc1ccncc1F 62a_100000047030_100000210757 [0,2,0,0,0,0|2,0,0]=4 36830 B14R1.882 CCCCCCSc1ccncc1F 62a_100000210314_100000047030 [0,2,0,0,0,0|2,0,0]=4 36831 B14R1.882 CCCCCCSc1ccncc1N 62a_100000210314_100000756074 [0,2,0,0,0,0|2,0,0]=4 36832 B14R1.882 CCCCCCSc1ccncc1N 62a_100000756074_100000210757 [0,2,0,0,0,0|2,0,0]=4 36833 B14R1.882 CCCCCCSc1ccncc1O 62a_100000210314_100009817591 [0,2,0,0,0,0|2,0,0]=4 36834 B14R1.882 CCCCCCSc1ccncc1O 62a_100009817591_100000210757 [0,2,0,0,0,0|2,0,0]=4 36835 B14R1.882 CCCCCCSc1cnccc1Br 62a_100000210314_100010138639 [0,2,0,0,0,0|2,0,0]=4 36836 B14R1.882 CCCCCCSc1cnccc1Br 62a_100010138639_100000210757 [0,2,0,0,0,0|2,0,0]=4 36837 B14R1.882 CCCCCCSc1cnccc1C 62a_100000210314_100000761580 [0,2,0,0,0,0|2,0,0]=4 36838 B14R1.882 CCCCCCSc1cnccc1C 62a_100000761580_100000210757 [0,2,0,0,0,0|2,0,0]=4 36839 B14R1.882 CCCCCCSc1cnccc1Cl 62a_100000210314_100009995489 [0,2,0,0,0,0|2,0,0]=4 36840 B14R1.882 CCCCCCSc1cnccc1Cl 62a_100009995489_100000210757 [0,2,0,0,0,0|2,0,0]=4 36841 B14R1.882 CCCCCCSc1cnccc1F 62a_100000210314_100009820683 [0,2,0,0,0,0|2,0,0]=4 36842 B14R1.882 CCCCCCSc1cnccc1F 62a_100009820683_100000210757 [0,2,0,0,0,0|2,0,0]=4 36843 B14R1.882 CCCCCCSc1cnccc1N 62a_100000047001_100000210757 [0,2,0,0,0,0|2,0,0]=4 36844 B14R1.882 CCCCCCSc1cnccc1N 62a_100000210314_100000047001 [0,2,0,0,0,0|2,0,0]=4 36845 B14R1.882 CCCCCCSc1ncccc1Br 62a_100000210314_100000696092 [0,2,0,0,0,0|2,0,0]=4 36846 B14R1.882 CCCCCCSc1ncccc1Br 62a_100000696092_100000210757 [0,2,0,0,0,0|2,0,0]=4 36847 B14R1.882 CCCCCCSc1ncccc1C 62a_100000210314_100000751373 [0,2,0,0,0,0|2,0,0]=4 36848 B14R1.882 CCCCCCSc1ncccc1C 62a_100000751373_100000210757 [0,2,0,0,0,0|2,0,0]=4 36849 B14R1.882 CCCCCCSc1ncccc1Cl 62a_100000210314_100011356963 [0,2,0,0,0,0|2,0,0]=4 36850 B14R1.882 CCCCCCSc1ncccc1Cl 62a_100011356963_100000210757 [0,2,0,0,0,0|2,0,0]=4 36851 B14R1.882 CCCCCCSc1ncccc1F 62a_100000210314_100000685392 [0,2,0,0,0,0|2,0,0]=4 36852 B14R1.882 CCCCCCSc1ncccc1F 62a_100000685392_100000210757 [0,2,0,0,0,0|2,0,0]=4 36853 B14R1.882 CCCCCCSc1ncccc1N 62a_100000210314_100000688686 [0,2,0,0,0,0|2,0,0]=4 36854 B14R1.882 CCCCCCSc1ncccc1N 62a_100000688686_100000210757 [0,2,0,0,0,0|2,0,0]=4 36855 B14R1.882 CCCCCCSc1ncccc1O 62a_100000034122_100000210757 [0,2,0,0,0,0|2,0,0]=4 36856 B14R1.882 CCCCCCSc1ncccc1O 62a_100000210314_100000034122 [0,2,0,0,0,0|2,0,0]=4 36857 B14R1.882 CCCCCNCc1ccccc1Br 207a_100000209983_100000211189 [0,2,0,0,0,0|1,0,0]=3 36858 B14R1.882 CCCCCNCc1ccccc1Br 2230a_100000209983_100000184730 [0,2,0,0,0,0|1,0,0]=3 36859 B14R1.882 CCCCCNCc1ccccc1Br 2230a_100000689332_100000210326 [0,2,0,0,0,0|1,0,0]=3 36860 B14R1.882 CCCCCNCc1ccccc1Br 270004a_100000209983_100000211189 [0,2,0,0,0,0|1,0,0]=3 36861 B14R1.882 CCCCCNCc1ccccc1Br 34a_100000689332_100000718602 [0,2,0,0,0,0|1,0,0]=3 36862 B14R1.882 CCCCCNCc1ccccc1C 207a_100000209983_100000211143 [0,2,0,0,0,0|1,0,0]=3 36863 B14R1.882 CCCCCNCc1ccccc1C 2230a_100000209983_100000211839 [0,2,0,0,0,0|1,0,0]=3 36864 B14R1.882 CCCCCNCc1ccccc1C 270004a_100000209983_100000211143 [0,2,0,0,0,0|1,0,0]=3 36865 B14R1.882 CCCCCNCc1ccccc1C 34a_100000174972_100000718602 [0,2,0,0,0,0|1,0,0]=3 36866 B14R1.882 CCCCCNCc1ccccc1Cl 207a_100000209983_100000210073 [0,2,0,0,0,0|1,0,0]=3 36867 B14R1.882 CCCCCNCc1ccccc1Cl 2230a_100000174879_100000210326 [0,2,0,0,0,0|1,0,0]=3 36868 B14R1.882 CCCCCNCc1ccccc1Cl 2230a_100000209983_100000187162 [0,2,0,0,0,0|1,0,0]=3 36869 B14R1.882 CCCCCNCc1ccccc1Cl 270004a_100000209983_100000210073 [0,2,0,0,0,0|1,0,0]=3 36870 B14R1.882 CCCCCNCc1ccccc1Cl 34a_100000174879_100000718602 [0,2,0,0,0,0|1,0,0]=3 36871 B14R1.882 CCCCCNCc1ccccc1F 207a_100000209983_100000210811 [0,2,0,0,0,0|1,0,0]=3 36872 B14R1.882 CCCCCNCc1ccccc1F 2230a_100000209983_100000211605 [0,2,0,0,0,0|1,0,0]=3 36873 B14R1.882 CCCCCNCc1ccccc1F 270004a_100000209983_100000210811 [0,2,0,0,0,0|1,0,0]=3 36874 B14R1.882 CCCCCNCc1ccccc1F 34a_100000174869_100000718602 [0,2,0,0,0,0|1,0,0]=3 36875 B14R1.882 CCCCCNCc1ccccc1I 207a_100000209983_100000010305 [0,2,0,0,0,0|1,0,0]=3 36876 B14R1.882 CCCCCNCc1ccccc1I 2230a_100000209983_100011215278 [0,2,0,0,0,0|1,0,0]=3 36877 B14R1.882 CCCCCNCc1ccccc1I 270004a_100000209983_100000010305 [0,2,0,0,0,0|1,0,0]=3 36878 B14R1.882 CCCCCNCc1ccccc1O 34a_100000185550_100000718602 [0,2,0,0,0,0|1,0,0]=3 36879 B14R1.882 CCCCCNCc1cccnc1Br 2230a_100000209983_100010140945 [0,2,0,0,0,0|2,0,0]=4 36880 B14R1.882 CCCCCNCc1cccnc1Br 2230a_100009818023_100000210326 [0,2,0,0,0,0|2,0,0]=4 36881 B14R1.882 CCCCCNCc1cccnc1Br 34a_100009818023_100000718602 [0,2,0,0,0,0|2,0,0]=4 36882 B14R1.882 CCCCCNCc1cccnc1C 207a_100000209983_100000751968 [0,2,0,0,0,0|2,0,0]=4 36883 B14R1.882 CCCCCNCc1cccnc1C 2230a_100000209983_100000732876 [0,2,0,0,0,0|2,0,0]=4 36884 B14R1.882 CCCCCNCc1cccnc1C 270004a_100000209983_100000751968 [0,2,0,0,0,0|2,0,0]=4 36885 B14R1.882 CCCCCNCc1cccnc1Cl 2230a_100000209983_100000045678 [0,2,0,0,0,0|2,0,0]=4 36886 B14R1.882 CCCCCNCc1cccnc1Cl 2230a_100015189234_100000210326 [0,2,0,0,0,0|2,0,0]=4 36887 B14R1.882 CCCCCNCc1cccnc1Cl 34a_100015189234_100000718602 [0,2,0,0,0,0|2,0,0]=4 36888 B14R1.882 CCCCCNCc1cccnc1F 2230a_100000209983_100000099810 [0,2,0,0,0,0|2,0,0]=4 36889 B14R1.882 CCCCCNCc1cccnc1F 34a_100000724633_100000718602 [0,2,0,0,0,0|2,0,0]=4 36890 B14R1.882 CCCCCNCc1cccnc1O 207a_100000209983_100011998315 [0,2,0,0,0,0|2,0,0]=4 36891 B14R1.882 CCCCCNCc1cccnc1O 270004a_100000209983_100011998315 [0,2,0,0,0,0|2,0,0]=4 36892 B14R1.882 CCCCCNCc1ccncc1Br 270004a_100000209983_100000755692 [0,2,0,0,0,0|2,0,0]=4 36893 B14R1.882 CCCCCNCc1ccncc1C 2230a_100000209983_100020672808 [0,2,0,0,0,0|2,0,0]=4 36894 B14R1.882 CCCCCNCc1ccncc1Cl 207a_100000209983_100011934409 [0,2,0,0,0,0|2,0,0]=4 36895 B14R1.882 CCCCCNCc1ccncc1Cl 2230a_100000209983_100000763264 [0,2,0,0,0,0|2,0,0]=4 36896 B14R1.882 CCCCCNCc1ccncc1Cl 270004a_100000209983_100011934409 [0,2,0,0,0,0|2,0,0]=4 36897 B14R1.882 CCCCCNCc1ccncc1F 34a_100011935246_100000718602 [0,2,0,0,0,0|2,0,0]=4 36898 B14R1.882 CCCCCNCc1cnccc1Br 270004a_100000209983_100009816821 [0,2,0,0,0,0|2,0,0]=4 36899 B14R1.882 CCCCCNCc1cnccc1C 207a_100000209983_100000685662 [0,2,0,0,0,0|2,0,0]=4 36900 B14R1.882 CCCCCNCc1cnccc1C 2230a_100000209983_100000690890 [0,2,0,0,0,0|2,0,0]=4 36901 B14R1.882 CCCCCNCc1cnccc1C 270004a_100000209983_100000685662 [0,2,0,0,0,0|2,0,0]=4 36902 B14R1.882 CCCCCNCc1cnccc1Cl 270004a_100000209983_100000050567 [0,2,0,0,0,0|2,0,0]=4 36903 B14R1.882 CCCCCNCc1ncccc1Br 207a_100000209983_100011934733 [0,2,0,0,0,0|2,0,0]=4 36904 B14R1.882 CCCCCNCc1ncccc1Br 2230a_100000209983_100025702911 [0,2,0,0,0,0|2,0,0]=4 36905 B14R1.882 CCCCCNCc1ncccc1Br 270004a_100000209983_100011934733 [0,2,0,0,0,0|2,0,0]=4 36906 B14R1.882 CCCCCNCc1ncccc1C 207a_100000209983_100000698913 [0,2,0,0,0,0|2,0,0]=4 36907 B14R1.882 CCCCCNCc1ncccc1C 2230a_100000209983_100000696600 [0,2,0,0,0,0|2,0,0]=4 36908 B14R1.882 CCCCCNCc1ncccc1C 270004a_100000209983_100000698913 [0,2,0,0,0,0|2,0,0]=4 36909 B14R1.882 CCCCCNCc1ncccc1C 34a_100011223789_100000718602 [0,2,0,0,0,0|2,0,0]=4 36910 B14R1.882 CCCCCNCc1ncccc1Cl 207a_100000209983_100012001307 [0,2,0,0,0,0|2,0,0]=4 36911 B14R1.882 CCCCCNCc1ncccc1Cl 2230a_100000209983_100000099807 [0,2,0,0,0,0|2,0,0]=4 36912 B14R1.882 CCCCCNCc1ncccc1Cl 2230a_100015189233_100000210326 [0,2,0,0,0,0|2,0,0]=4 36913 B14R1.882 CCCCCNCc1ncccc1Cl 270004a_100000209983_100012001307 [0,2,0,0,0,0|2,0,0]=4 36914 B14R1.882 CCCCCNCc1ncccc1F 207a_100000209983_100011934734 [0,2,0,0,0,0|2,0,0]=4 36915 B14R1.882 CCCCCNCc1ncccc1F 2230a_100000209983_100000104219 [0,2,0,0,0,0|2,0,0]=4 36916 B14R1.882 CCCCCNCc1ncccc1F 270004a_100000209983_100011934734 [0,2,0,0,0,0|2,0,0]=4 36917 B14R1.882 CCCCCNCc1ncccc1F 34a_100000690088_100000718602 [0,2,0,0,0,0|2,0,0]=4 36918 B14R1.882 CCCCCOCc1ccccc1Br 34a_100000210253_100000184730 [0,2,0,0,0,0|1,0,0]=3 36919 B14R1.882 CCCCCOCc1ccccc1Br 34a_100000756307_100000718602 [0,2,0,0,0,0|1,0,0]=3 36920 B14R1.882 CCCCCOCc1ccccc1Br 7a_100000210253_100000184730 [0,2,0,0,0,0|1,0,0]=3 36921 B14R1.882 CCCCCOCc1ccccc1Br 7a_100000756307_100000210326 [0,2,0,0,0,0|1,0,0]=3 36922 B14R1.882 CCCCCOCc1ccccc1C 34a_100000210253_100000211839 [0,2,0,0,0,0|1,0,0]=3 36923 B14R1.882 CCCCCOCc1ccccc1C 34a_100000698903_100000718602 [0,2,0,0,0,0|1,0,0]=3 36924 B14R1.882 CCCCCOCc1ccccc1C 7a_100000210253_100000211839 [0,2,0,0,0,0|1,0,0]=3 36925 B14R1.882 CCCCCOCc1ccccc1C 7a_100000698903_100000210326 [0,2,0,0,0,0|1,0,0]=3 36926 B14R1.882 CCCCCOCc1ccccc1Cl 34a_100000210253_100000187162 [0,2,0,0,0,0|1,0,0]=3 36927 B14R1.882 CCCCCOCc1ccccc1Cl 34a_100000210847_100000718602 [0,2,0,0,0,0|1,0,0]=3 36928 B14R1.882 CCCCCOCc1ccccc1Cl 7a_100000210253_100000187162 [0,2,0,0,0,0|1,0,0]=3 36929 B14R1.882 CCCCCOCc1ccccc1Cl 7a_100000210847_100000210326 [0,2,0,0,0,0|1,0,0]=3 36930 B14R1.882 CCCCCOCc1ccccc1F 34a_100000210253_100000211605 [0,2,0,0,0,0|1,0,0]=3 36931 B14R1.882 CCCCCOCc1ccccc1F 34a_100000211962_100000718602 [0,2,0,0,0,0|1,0,0]=3 36932 B14R1.882 CCCCCOCc1ccccc1F 7a_100000210253_100000211605 [0,2,0,0,0,0|1,0,0]=3 36933 B14R1.882 CCCCCOCc1ccccc1F 7a_100000211962_100000210326 [0,2,0,0,0,0|1,0,0]=3 36934 B14R1.882 CCCCCOCc1ccccc1I 34a_100000187465_100000718602 [0,2,0,0,0,0|1,0,0]=3 36935 B14R1.882 CCCCCOCc1ccccc1I 34a_100000210253_100011215278 [0,2,0,0,0,0|1,0,0]=3 36936 B14R1.882 CCCCCOCc1ccccc1I 7a_100000187465_100000210326 [0,2,0,0,0,0|1,0,0]=3 36937 B14R1.882 CCCCCOCc1ccccc1I 7a_100000210253_100011215278 [0,2,0,0,0,0|1,0,0]=3 36938 B14R1.882 CCCCCOCc1ccccc1N 34a_100000212039_100000718602 [0,2,0,0,0,0|1,0,0]=3 36939 B14R1.882 CCCCCOCc1cccnc1Br 34a_100000210253_100010140945 [0,2,0,0,0,0|2,0,0]=4 36940 B14R1.882 CCCCCOCc1cccnc1Br 34a_100000719692_100000718602 [0,2,0,0,0,0|2,0,0]=4 36941 B14R1.882 CCCCCOCc1cccnc1Br 7a_100000210253_100010140945 [0,2,0,0,0,0|2,0,0]=4 36942 B14R1.882 CCCCCOCc1cccnc1Br 7a_100000719692_100000210326 [0,2,0,0,0,0|2,0,0]=4 36943 B14R1.882 CCCCCOCc1cccnc1C 34a_100000210253_100000732876 [0,2,0,0,0,0|2,0,0]=4 36944 B14R1.882 CCCCCOCc1cccnc1C 34a_100000729262_100000718602 [0,2,0,0,0,0|2,0,0]=4 36945 B14R1.882 CCCCCOCc1cccnc1C 7a_100000210253_100000732876 [0,2,0,0,0,0|2,0,0]=4 36946 B14R1.882 CCCCCOCc1cccnc1C 7a_100000729262_100000210326 [0,2,0,0,0,0|2,0,0]=4 36947 B14R1.882 CCCCCOCc1cccnc1Cl 34a_100000210253_100000045678 [0,2,0,0,0,0|2,0,0]=4 36948 B14R1.882 CCCCCOCc1cccnc1Cl 34a_100000748726_100000718602 [0,2,0,0,0,0|2,0,0]=4 36949 B14R1.882 CCCCCOCc1cccnc1Cl 7a_100000210253_100000045678 [0,2,0,0,0,0|2,0,0]=4 36950 B14R1.882 CCCCCOCc1cccnc1Cl 7a_100000748726_100000210326 [0,2,0,0,0,0|2,0,0]=4 36951 B14R1.882 CCCCCOCc1cccnc1F 34a_100000079888_100000718602 [0,2,0,0,0,0|2,0,0]=4 36952 B14R1.882 CCCCCOCc1cccnc1F 34a_100000210253_100000099810 [0,2,0,0,0,0|2,0,0]=4 36953 B14R1.882 CCCCCOCc1cccnc1F 7a_100000079888_100000210326 [0,2,0,0,0,0|2,0,0]=4 36954 B14R1.882 CCCCCOCc1cccnc1F 7a_100000210253_100000099810 [0,2,0,0,0,0|2,0,0]=4 36955 B14R1.882 CCCCCOCc1ccncc1C 34a_100000210253_100020672809 [0,2,0,0,0,0|2,0,0]=4 36956 B14R1.882 CCCCCOCc1ccncc1C 34a_100011997032_100000718602 [0,2,0,0,0,0|2,0,0]=4 36957 B14R1.882 CCCCCOCc1ccncc1C 7a_100000210253_100020672808 [0,2,0,0,0,0|2,0,0]=4 36958 B14R1.882 CCCCCOCc1ccncc1Cl 7a_100000210253_100000763264 [0,2,0,0,0,0|2,0,0]=4 36959 B14R1.882 CCCCCOCc1ccncc1F 34a_100012172863_100000718602 [0,2,0,0,0,0|2,0,0]=4 36960 B14R1.882 CCCCCOCc1cnccc1C 34a_100000210253_100000690890 [0,2,0,0,0,0|2,0,0]=4 36961 B14R1.882 CCCCCOCc1cnccc1C 34a_100011996381_100000718602 [0,2,0,0,0,0|2,0,0]=4 36962 B14R1.882 CCCCCOCc1cnccc1C 7a_100000210253_100000690890 [0,2,0,0,0,0|2,0,0]=4 36963 B14R1.882 CCCCCOCc1cnccc1Cl 34a_100000117392_100000718602 [0,2,0,0,0,0|2,0,0]=4 36964 B14R1.882 CCCCCOCc1ncccc1Br 34a_100000210253_100025702911 [0,2,0,0,0,0|2,0,0]=4 36965 B14R1.882 CCCCCOCc1ncccc1Br 34a_100011996772_100000718602 [0,2,0,0,0,0|2,0,0]=4 36966 B14R1.882 CCCCCOCc1ncccc1Br 7a_100000210253_100025702911 [0,2,0,0,0,0|2,0,0]=4 36967 B14R1.882 CCCCCOCc1ncccc1C 34a_100000210253_100000696600 [0,2,0,0,0,0|2,0,0]=4 36968 B14R1.882 CCCCCOCc1ncccc1C 34a_100000698912_100000718602 [0,2,0,0,0,0|2,0,0]=4 36969 B14R1.882 CCCCCOCc1ncccc1C 7a_100000210253_100000696600 [0,2,0,0,0,0|2,0,0]=4 36970 B14R1.882 CCCCCOCc1ncccc1Cl 34a_100012002383_100000718602 [0,2,0,0,0,0|2,0,0]=4 36971 B14R1.882 CCCCCOCc1ncccc1Cl 7a_100000210253_100000099807 [0,2,0,0,0,0|2,0,0]=4 36972 B14R1.882 CCCCCOCc1ncccc1F 34a_100000210253_100000104219 [0,2,0,0,0,0|2,0,0]=4 36973 B14R1.882 CCCCCOCc1ncccc1F 34a_100011934865_100000718602 [0,2,0,0,0,0|2,0,0]=4 36974 B14R1.882 CCCCCOCc1ncccc1F 7a_100000210253_100000104219 [0,2,0,0,0,0|2,0,0]=4 36975 B14R1.882 CCCCCOCc1ncccc1N 34a_114873767017_100000718602 [0,2,0,0,0,0|2,0,0]=4 36976 B14R1.882 CCCCCOCc1ncccc1O 34a_100000210253_200020655725 [0,2,0,0,0,0|2,0,0]=4 36977 B14R1.882 CCCCCOCc1ncccc1O 7a_100000210253_200020655725 [0,2,0,0,0,0|2,0,0]=4 36978 B14R1.882 CCCCCSCc1ccccc1Br 62a_100000184730_100000210326 [0,2,0,0,0,0|1,0,0]=3 36979 B14R1.882 CCCCCSCc1ccccc1Br 62a_100000210326_100000184730 [0,2,0,0,0,0|1,0,0]=3 36980 B14R1.882 CCCCCSCc1ccccc1C 62a_100000210326_100000211839 [0,2,0,0,0,0|1,0,0]=3 36981 B14R1.882 CCCCCSCc1ccccc1C 62a_100000211839_100000210326 [0,2,0,0,0,0|1,0,0]=3 36982 B14R1.882 CCCCCSCc1ccccc1Cl 62a_100000187162_100000210326 [0,2,0,0,0,0|1,0,0]=3 36983 B14R1.882 CCCCCSCc1ccccc1Cl 62a_100000210326_100000187162 [0,2,0,0,0,0|1,0,0]=3 36984 B14R1.882 CCCCCSCc1ccccc1F 62a_100000210326_100000211605 [0,2,0,0,0,0|1,0,0]=3 36985 B14R1.882 CCCCCSCc1ccccc1F 62a_100000211605_100000210326 [0,2,0,0,0,0|1,0,0]=3 36986 B14R1.882 CCCCCSCc1ccccc1I 62a_100000210326_100011216222 [0,2,0,0,0,0|1,0,0]=3 36987 B14R1.882 CCCCCSCc1ccccc1I 62a_100011216222_100000210326 [0,2,0,0,0,0|1,0,0]=3 36988 B14R1.882 CCCCCSCc1cccnc1Br 62a_100000210326_100010140945 [0,2,0,0,0,0|2,0,0]=4 36989 B14R1.882 CCCCCSCc1cccnc1Br 62a_100010140945_100000210326 [0,2,0,0,0,0|2,0,0]=4 36990 B14R1.882 CCCCCSCc1cccnc1C 62a_100000210326_100000732876 [0,2,0,0,0,0|2,0,0]=4 36991 B14R1.882 CCCCCSCc1cccnc1C 62a_100000732876_100000210326 [0,2,0,0,0,0|2,0,0]=4 36992 B14R1.882 CCCCCSCc1cccnc1Cl 62a_100000045678_100000210326 [0,2,0,0,0,0|2,0,0]=4 36993 B14R1.882 CCCCCSCc1cccnc1Cl 62a_100000210326_100000045678 [0,2,0,0,0,0|2,0,0]=4 36994 B14R1.882 CCCCCSCc1cccnc1F 62a_100000099810_100000210326 [0,2,0,0,0,0|2,0,0]=4 36995 B14R1.882 CCCCCSCc1cccnc1F 62a_100000210326_100000099810 [0,2,0,0,0,0|2,0,0]=4 36996 B14R1.882 CCCCCSCc1ccncc1C 62a_100000210326_100020672808 [0,2,0,0,0,0|2,0,0]=4 36997 B14R1.882 CCCCCSCc1ccncc1C 62a_100020672808_100000210326 [0,2,0,0,0,0|2,0,0]=4 36998 B14R1.882 CCCCCSCc1ccncc1Cl 62a_100000210326_100000763264 [0,2,0,0,0,0|2,0,0]=4 36999 B14R1.882 CCCCCSCc1ccncc1Cl 62a_100000763264_100000210326 [0,2,0,0,0,0|2,0,0]=4 37000 B14R1.882 CCCCCSCc1cnccc1C 62a_100000210326_100000690890 [0,2,0,0,0,0|2,0,0]=4 37001 B14R1.882 CCCCCSCc1cnccc1C 62a_100000690890_100000210326 [0,2,0,0,0,0|2,0,0]=4 37002 B14R1.882 CCCCCSCc1ncccc1Br 62a_100000210326_100025702911 [0,2,0,0,0,0|2,0,0]=4 37003 B14R1.882 CCCCCSCc1ncccc1Br 62a_100025702911_100000210326 [0,2,0,0,0,0|2,0,0]=4 37004 B14R1.882 CCCCCSCc1ncccc1C 62a_100000210326_100000696600 [0,2,0,0,0,0|2,0,0]=4 37005 B14R1.882 CCCCCSCc1ncccc1C 62a_100000696600_100000210326 [0,2,0,0,0,0|2,0,0]=4 37006 B14R1.882 CCCCCSCc1ncccc1Cl 62a_100000099807_100000210326 [0,2,0,0,0,0|2,0,0]=4 37007 B14R1.882 CCCCCSCc1ncccc1Cl 62a_100000210326_100000099807 [0,2,0,0,0,0|2,0,0]=4 37008 B14R1.882 CCCCCSCc1ncccc1F 62a_100000104219_100000210326 [0,2,0,0,0,0|2,0,0]=4 37009 B14R1.882 CCCCCSCc1ncccc1F 62a_100000210326_100000104219 [0,2,0,0,0,0|2,0,0]=4 37010 B14R1.882 CCCCCSCc1ncccc1O 62a_100000210326_200020655725 [0,2,0,0,0,0|2,0,0]=4 37011 B14R1.882 CCCCCSCc1ncccc1O 62a_200020655725_100000210326 [0,2,0,0,0,0|2,0,0]=4 37012 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000102301_100012161201 [0,2,0,0,0,0|1,0,0]=3 37013 B14R1.882 CCCCNCCc1ccccc1Br 2230a_100000747383_100000210211 [0,2,0,0,0,0|1,0,0]=3 37014 B14R1.882 CCCCNCCc1ccccc1Br 34a_100000747383_100000210210 [0,2,0,0,0,0|1,0,0]=3 37015 B14R1.882 CCCCNCCc1ccccc1Br 7a_106832991798_100012161201 [0,2,0,0,0,0|1,0,0]=3 37016 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000102301_100011713688 [0,2,0,0,0,0|1,0,0]=3 37017 B14R1.882 CCCCNCCc1ccccc1C 2230a_100000685071_100000210211 [0,2,0,0,0,0|1,0,0]=3 37018 B14R1.882 CCCCNCCc1ccccc1C 34a_100000685071_100000210210 [0,2,0,0,0,0|1,0,0]=3 37019 B14R1.882 CCCCNCCc1ccccc1C 7a_106832991798_100011713688 [0,2,0,0,0,0|1,0,0]=3 37020 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100000102301_100011713703 [0,2,0,0,0,0|1,0,0]=3 37021 B14R1.882 CCCCNCCc1ccccc1Cl 2230a_100011207228_100000210211 [0,2,0,0,0,0|1,0,0]=3 37022 B14R1.882 CCCCNCCc1ccccc1Cl 270004a_100000102301_200011713468 [0,2,0,0,0,0|1,0,0]=3 37023 B14R1.882 CCCCNCCc1ccccc1Cl 34a_100011207228_100000210210 [0,2,0,0,0,0|1,0,0]=3 37024 B14R1.882 CCCCNCCc1ccccc1Cl 7a_106832991798_100011713703 [0,2,0,0,0,0|1,0,0]=3 37025 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000102301_100011713696 [0,2,0,0,0,0|1,0,0]=3 37026 B14R1.882 CCCCNCCc1ccccc1F 2230a_100000185272_100000210211 [0,2,0,0,0,0|1,0,0]=3 37027 B14R1.882 CCCCNCCc1ccccc1F 34a_100000185272_100000210210 [0,2,0,0,0,0|1,0,0]=3 37028 B14R1.882 CCCCNCCc1ccccc1F 7a_106832991798_100000720011 [0,2,0,0,0,0|1,0,0]=3 37029 B14R1.882 CCCCNCCc1ccccc1O 34a_100011207237_100000210210 [0,2,0,0,0,0|1,0,0]=3 37030 B14R1.882 CCCCNCCc1ccccc1O 7a_106832991798_100000722297 [0,2,0,0,0,0|1,0,0]=3 37031 B14R1.882 CCCCNCCn1ccccc1=O 2230a_100000687133_100000210211 [0,2,0,0,0,0|2,0,0]=4 37032 B14R1.882 CCCCOCCc1ccccc1Br 34a_100000210227_100012161201 [0,2,0,0,0,0|1,0,0]=3 37033 B14R1.882 CCCCOCCc1ccccc1Br 34a_100000731337_100000210210 [0,2,0,0,0,0|1,0,0]=3 37034 B14R1.882 CCCCOCCc1ccccc1Br 7a_100000210227_100012161201 [0,2,0,0,0,0|1,0,0]=3 37035 B14R1.882 CCCCOCCc1ccccc1Br 7a_100000731337_100000210211 [0,2,0,0,0,0|1,0,0]=3 37036 B14R1.882 CCCCOCCc1ccccc1C 34a_100000210227_100011713688 [0,2,0,0,0,0|1,0,0]=3 37037 B14R1.882 CCCCOCCc1ccccc1C 34a_100011220023_100000210210 [0,2,0,0,0,0|1,0,0]=3 37038 B14R1.882 CCCCOCCc1ccccc1C 7a_100000210227_100011713688 [0,2,0,0,0,0|1,0,0]=3 37039 B14R1.882 CCCCOCCc1ccccc1C 7a_100011220023_100000210211 [0,2,0,0,0,0|1,0,0]=3 37040 B14R1.882 CCCCOCCc1ccccc1Cl 34a_100000210227_100011713703 [0,2,0,0,0,0|1,0,0]=3 37041 B14R1.882 CCCCOCCc1ccccc1Cl 34a_100011215284_100000210210 [0,2,0,0,0,0|1,0,0]=3 37042 B14R1.882 CCCCOCCc1ccccc1Cl 7a_100000210227_100011713703 [0,2,0,0,0,0|1,0,0]=3 37043 B14R1.882 CCCCOCCc1ccccc1Cl 7a_100011215284_100000210211 [0,2,0,0,0,0|1,0,0]=3 37044 B14R1.882 CCCCOCCc1ccccc1F 34a_100000210227_100000720011 [0,2,0,0,0,0|1,0,0]=3 37045 B14R1.882 CCCCOCCc1ccccc1F 34a_100000753711_100000210210 [0,2,0,0,0,0|1,0,0]=3 37046 B14R1.882 CCCCOCCc1ccccc1F 7a_100000210227_100000720011 [0,2,0,0,0,0|1,0,0]=3 37047 B14R1.882 CCCCOCCc1ccccc1F 7a_100000753711_100000210211 [0,2,0,0,0,0|1,0,0]=3 37048 B14R1.882 CCCCOCCc1ccccc1I 34a_100010255290_100000210210 [0,2,0,0,0,0|1,0,0]=3 37049 B14R1.882 CCCCOCCc1ccccc1I 7a_100010255290_100000210211 [0,2,0,0,0,0|1,0,0]=3 37050 B14R1.882 CCCCOCCc1ccccc1N 34a_100011215289_100000210210 [0,2,0,0,0,0|1,0,0]=3 37051 B14R1.882 CCCCOCCc1ccccc1O 34a_100000210227_100000722297 [0,2,0,0,0,0|1,0,0]=3 37052 B14R1.882 CCCCOCCc1ccccc1O 7a_100000210227_100000722297 [0,2,0,0,0,0|1,0,0]=3 37053 B14R1.882 CCCCOCCc1ncccc1C 34a_100011997706_100000210210 [0,2,0,0,0,0|2,0,0]=4 37054 B14R1.882 CCCCOCCc1ncccc1C 7a_100011997706_100000210211 [0,2,0,0,0,0|2,0,0]=4 37055 B14R1.882 CCCCOCNc1ccccc1Br 34a_100000210017_100011995733 [0,2,0,0,0,0|2,0,0]=4 37056 B14R1.882 CCCCOCNc1ccccc1C 34a_100015192222_100011995733 [0,2,0,0,0,0|2,0,0]=4 37057 B14R1.882 CCCCOCNc1ccccc1Cl 34a_100000185783_100011995733 [0,2,0,0,0,0|2,0,0]=4 37058 B14R1.882 CCCCOCNc1ccccc1F 34a_100000210422_100011995733 [0,2,0,0,0,0|2,0,0]=4 37059 B14R1.882 CCCCOCNc1ccccc1I 34a_100000210053_100011995733 [0,2,0,0,0,0|2,0,0]=4 37060 B14R1.882 CCCCOCNc1ccccc1O 34a_100000185747_100011995733 [0,2,0,0,0,0|2,0,0]=4 37061 B14R1.882 CCCCOCOc1ccccc1Br 34a_100000181306_100011995733 [0,2,0,0,0,0|2,0,0]=4 37062 B14R1.882 CCCCOCOc1ccccc1C 34a_100000210338_100011995733 [0,2,0,0,0,0|2,0,0]=4 37063 B14R1.882 CCCCOCOc1ccccc1Cl 34a_100000210172_100011995733 [0,2,0,0,0,0|2,0,0]=4 37064 B14R1.882 CCCCOCOc1ccccc1F 34a_100000210171_100011995733 [0,2,0,0,0,0|2,0,0]=4 37065 B14R1.882 CCCCOCOc1ccccc1I 34a_100000739446_100011995733 [0,2,0,0,0,0|2,0,0]=4 37066 B14R1.882 CCCCOCOc1ccccc1N 34a_100000185747_100011995733 [0,2,0,0,0,0|2,0,0]=4 37067 B14R1.882 CCCCOCSc1ccccc1Br 62a_100000695589_100011995733 [0,2,0,0,0,0|2,0,0]=4 37068 B14R1.882 CCCCOCSc1ccccc1Br 62a_100011995733_100000695589 [0,2,0,0,0,0|2,0,0]=4 37069 B14R1.882 CCCCOCSc1ccccc1C 62a_100000210755_100011995733 [0,2,0,0,0,0|2,0,0]=4 37070 B14R1.882 CCCCOCSc1ccccc1C 62a_100011995733_100000210755 [0,2,0,0,0,0|2,0,0]=4 37071 B14R1.882 CCCCOCSc1ccccc1Cl 62a_100000764095_100011995733 [0,2,0,0,0,0|2,0,0]=4 37072 B14R1.882 CCCCOCSc1ccccc1Cl 62a_100011995733_100000764095 [0,2,0,0,0,0|2,0,0]=4 37073 B14R1.882 CCCCOCSc1ccccc1F 62a_100011215700_100011995733 [0,2,0,0,0,0|2,0,0]=4 37074 B14R1.882 CCCCOCSc1ccccc1F 62a_100011995733_100011215700 [0,2,0,0,0,0|2,0,0]=4 37075 B14R1.882 CCCCOCSc1ccccc1N 62a_100000210017_100011995733 [0,2,0,0,0,0|2,0,0]=4 37076 B14R1.882 CCCCOCSc1ccccc1N 62a_100011995733_100000210017 [0,2,0,0,0,0|2,0,0]=4 37077 B14R1.882 CCCCOCSc1ccccc1O 62a_100000739446_100011995733 [0,2,0,0,0,0|2,0,0]=4 37078 B14R1.882 CCCCOCSc1ccccc1O 62a_100011995733_100000739446 [0,2,0,0,0,0|2,0,0]=4 37079 B14R1.882 CCCCSCCc1ccccc1Br 62a_100000210211_100012161201 [0,2,0,0,0,0|1,0,0]=3 37080 B14R1.882 CCCCSCCc1ccccc1Br 62a_100012161201_100000210210 [0,2,0,0,0,0|1,0,0]=3 37081 B14R1.882 CCCCSCCc1ccccc1C 62a_100000210211_100011713688 [0,2,0,0,0,0|1,0,0]=3 37082 B14R1.882 CCCCSCCc1ccccc1C 62a_100011713688_100000210210 [0,2,0,0,0,0|1,0,0]=3 37083 B14R1.882 CCCCSCCc1ccccc1Cl 62a_100000210211_100011713703 [0,2,0,0,0,0|1,0,0]=3 37084 B14R1.882 CCCCSCCc1ccccc1Cl 62a_100011713703_100000210210 [0,2,0,0,0,0|1,0,0]=3 37085 B14R1.882 CCCCSCCc1ccccc1F 62a_100000210211_100011713696 [0,2,0,0,0,0|1,0,0]=3 37086 B14R1.882 CCCCSCCc1ccccc1F 62a_100011713696_100000210210 [0,2,0,0,0,0|1,0,0]=3 37087 B14R1.882 CCCCSCCc1ccccc1O 62a_100000210211_100000722297 [0,2,0,0,0,0|1,0,0]=3 37088 B14R1.882 CCCCSCCc1ccccc1O 62a_100000722297_100000210210 [0,2,0,0,0,0|1,0,0]=3 37089 B14R1.882 CCCNCCCc1ccccc1F 2230a_100000724733_100000210303 [0,2,0,0,0,0|1,0,0]=3 37090 B14R1.882 CCCNCCCc1ccccc1F 34a_100000724733_100000210303 [0,2,0,0,0,0|1,0,0]=3 37091 B14R1.882 CCCNCCOc1ccccc1Br 2230a_100000744007_100000210303 [0,2,0,0,0,0|2,0,0]=4 37092 B14R1.882 CCCNCCOc1ccccc1Br 34a_100000744007_100000210303 [0,2,0,0,0,0|2,0,0]=4 37093 B14R1.882 CCCNCCOc1ccccc1C 2230a_100000743344_100000210303 [0,2,0,0,0,0|2,0,0]=4 37094 B14R1.882 CCCNCCOc1ccccc1C 34a_100000743344_100000210303 [0,2,0,0,0,0|2,0,0]=4 37095 B14R1.882 CCCNCCOc1ccccc1Cl 2230a_100000174932_100000210303 [0,2,0,0,0,0|2,0,0]=4 37096 B14R1.882 CCCNCCOc1ccccc1Cl 34a_100000174932_100000210303 [0,2,0,0,0,0|2,0,0]=4 37097 B14R1.882 CCCNCCOc1ccccc1F 2230a_100000683764_100000210303 [0,2,0,0,0,0|2,0,0]=4 37098 B14R1.882 CCCNCCOc1ccccc1F 34a_100000683764_100000210303 [0,2,0,0,0,0|2,0,0]=4 37099 B14R1.882 CCCOCCCc1ccccc1Br 34a_100000210258_200011713681 [0,2,0,0,0,0|1,0,0]=3 37100 B14R1.882 CCCOCCCc1ccccc1Br 34a_100000699526_100000210303 [0,2,0,0,0,0|1,0,0]=3 37101 B14R1.882 CCCOCCCc1ccccc1Br 7a_100000699526_100000210303 [0,2,0,0,0,0|1,0,0]=3 37102 B14R1.882 CCCOCCCc1ccccc1Cl 34a_100011709251_100000210303 [0,2,0,0,0,0|1,0,0]=3 37103 B14R1.882 CCCOCCCc1ccccc1Cl 7a_100011709251_100000210303 [0,2,0,0,0,0|1,0,0]=3 37104 B14R1.882 CCCOCCCc1ccccc1F 34a_100011709249_100000210303 [0,2,0,0,0,0|1,0,0]=3 37105 B14R1.882 CCCOCCCc1ccccc1F 7a_100011709249_100000210303 [0,2,0,0,0,0|1,0,0]=3 37106 B14R1.882 CCCOCCNc1ccccc1Br 34a_100000210017_100011215938 [0,2,0,0,0,0|2,0,0]=4 37107 B14R1.882 CCCOCCNc1ccccc1C 34a_100011233185_100000210303 [0,2,0,0,0,0|2,0,0]=4 37108 B14R1.882 CCCOCCNc1ccccc1C 34a_100015192222_100011215938 [0,2,0,0,0,0|2,0,0]=4 37109 B14R1.882 CCCOCCNc1ccccc1Cl 34a_100000185783_100011215938 [0,2,0,0,0,0|2,0,0]=4 37110 B14R1.882 CCCOCCNc1ccccc1F 34a_100000210422_100011215938 [0,2,0,0,0,0|2,0,0]=4 37111 B14R1.882 CCCOCCNc1ccccc1I 34a_100000210053_100011215938 [0,2,0,0,0,0|2,0,0]=4 37112 B14R1.882 CCCOCCNc1ccccc1N 34a_100000683943_100000210303 [0,2,0,0,0,0|2,0,0]=4 37113 B14R1.882 CCCOCCNc1ccccc1O 34a_100000185747_100011215938 [0,2,0,0,0,0|2,0,0]=4 37114 B14R1.882 CCCOCCOc1ccccc1Br 34a_100000181306_100011215938 [0,2,0,0,0,0|2,0,0]=4 37115 B14R1.882 CCCOCCOc1ccccc1Br 34a_100000210258_100000695877 [0,2,0,0,0,0|2,0,0]=4 37116 B14R1.882 CCCOCCOc1ccccc1Br 34a_100000230753_100000210303 [0,2,0,0,0,0|2,0,0]=4 37117 B14R1.882 CCCOCCOc1ccccc1Br 7a_100000181306_100011215938 [0,2,0,0,0,0|2,0,0]=4 37118 B14R1.882 CCCOCCOc1ccccc1Br 7a_100000230753_100000210303 [0,2,0,0,0,0|2,0,0]=4 37119 B14R1.882 CCCOCCOc1ccccc1C 34a_100000210258_100000184434 [0,2,0,0,0,0|2,0,0]=4 37120 B14R1.882 CCCOCCOc1ccccc1C 34a_100000210338_100011215938 [0,2,0,0,0,0|2,0,0]=4 37121 B14R1.882 CCCOCCOc1ccccc1C 7a_100000210338_100011215938 [0,2,0,0,0,0|2,0,0]=4 37122 B14R1.882 CCCOCCOc1ccccc1Cl 34a_100000210172_100011215938 [0,2,0,0,0,0|2,0,0]=4 37123 B14R1.882 CCCOCCOc1ccccc1Cl 34a_200000230518_100000210303 [0,2,0,0,0,0|2,0,0]=4 37124 B14R1.882 CCCOCCOc1ccccc1Cl 7a_100000210172_100011215938 [0,2,0,0,0,0|2,0,0]=4 37125 B14R1.882 CCCOCCOc1ccccc1Cl 7a_200000230518_100000210303 [0,2,0,0,0,0|2,0,0]=4 37126 B14R1.882 CCCOCCOc1ccccc1F 34a_100000210171_100011215938 [0,2,0,0,0,0|2,0,0]=4 37127 B14R1.882 CCCOCCOc1ccccc1F 34a_100000210258_100000183290 [0,2,0,0,0,0|2,0,0]=4 37128 B14R1.882 CCCOCCOc1ccccc1F 34a_100000756447_100000210303 [0,2,0,0,0,0|2,0,0]=4 37129 B14R1.882 CCCOCCOc1ccccc1F 7a_100000210171_100011215938 [0,2,0,0,0,0|2,0,0]=4 37130 B14R1.882 CCCOCCOc1ccccc1F 7a_100000756447_100000210303 [0,2,0,0,0,0|2,0,0]=4 37131 B14R1.882 CCCOCCOc1ccccc1I 34a_100000739446_100011215938 [0,2,0,0,0,0|2,0,0]=4 37132 B14R1.882 CCCOCCOc1ccccc1I 7a_100000739446_100011215938 [0,2,0,0,0,0|2,0,0]=4 37133 B14R1.882 CCCOCCOc1ccccc1N 34a_100000185747_100011215938 [0,2,0,0,0,0|2,0,0]=4 37134 B14R1.882 CCCOCCOc1ccccc1N 34a_100132302172_100000210303 [0,2,0,0,0,0|2,0,0]=4 37135 B14R1.882 CCCOCCOc1ccccc1N 7a_100000185747_100011215938 [0,2,0,0,0,0|2,0,0]=4 37136 B14R1.882 CCCOCCSc1ccccc1Br 34a_200000230852_100000210303 [0,2,0,0,0,0|2,0,0]=4 37137 B14R1.882 CCCOCCSc1ccccc1Br 62a_100000695589_100011215938 [0,2,0,0,0,0|2,0,0]=4 37138 B14R1.882 CCCOCCSc1ccccc1Br 62a_100011215938_100000695589 [0,2,0,0,0,0|2,0,0]=4 37139 B14R1.882 CCCOCCSc1ccccc1Br 7a_200000230852_100000210303 [0,2,0,0,0,0|2,0,0]=4 37140 B14R1.882 CCCOCCSc1ccccc1C 62a_100000210755_100011215938 [0,2,0,0,0,0|2,0,0]=4 37141 B14R1.882 CCCOCCSc1ccccc1C 62a_100011215938_100000210755 [0,2,0,0,0,0|2,0,0]=4 37142 B14R1.882 CCCOCCSc1ccccc1Cl 34a_200000230572_100000210303 [0,2,0,0,0,0|2,0,0]=4 37143 B14R1.882 CCCOCCSc1ccccc1Cl 62a_100000764095_100011215938 [0,2,0,0,0,0|2,0,0]=4 37144 B14R1.882 CCCOCCSc1ccccc1Cl 62a_100011215938_100000764095 [0,2,0,0,0,0|2,0,0]=4 37145 B14R1.882 CCCOCCSc1ccccc1Cl 7a_200000230572_100000210303 [0,2,0,0,0,0|2,0,0]=4 37146 B14R1.882 CCCOCCSc1ccccc1F 34a_200000230732_100000210303 [0,2,0,0,0,0|2,0,0]=4 37147 B14R1.882 CCCOCCSc1ccccc1F 62a_100011215700_100011215938 [0,2,0,0,0,0|2,0,0]=4 37148 B14R1.882 CCCOCCSc1ccccc1F 62a_100011215938_100011215700 [0,2,0,0,0,0|2,0,0]=4 37149 B14R1.882 CCCOCCSc1ccccc1F 7a_200000230732_100000210303 [0,2,0,0,0,0|2,0,0]=4 37150 B14R1.882 CCCOCCSc1ccccc1N 62a_100000210017_100011215938 [0,2,0,0,0,0|2,0,0]=4 37151 B14R1.882 CCCOCCSc1ccccc1N 62a_100011215938_100000210017 [0,2,0,0,0,0|2,0,0]=4 37152 B14R1.882 CCCOCCSc1ccccc1O 62a_100000739446_100011215938 [0,2,0,0,0,0|2,0,0]=4 37153 B14R1.882 CCCOCCSc1ccccc1O 62a_100011215938_100000739446 [0,2,0,0,0,0|2,0,0]=4 37154 B14R1.882 CCCSCCCc1ccccc1Br 62a_100000210303_200011713681 [0,2,0,0,0,0|1,0,0]=3 37155 B14R1.882 CCCSCCCc1ccccc1Br 62a_200011713681_100000210303 [0,2,0,0,0,0|1,0,0]=3 37156 B14R1.882 CCCSCCOc1ccccc1Br 62a_100000210303_100000695877 [0,2,0,0,0,0|2,0,0]=4 37157 B14R1.882 CCCSCCOc1ccccc1Br 62a_100000695877_100000210303 [0,2,0,0,0,0|2,0,0]=4 37158 B14R1.882 CCCSCCOc1ccccc1C 62a_100000184434_100000210303 [0,2,0,0,0,0|2,0,0]=4 37159 B14R1.882 CCCSCCOc1ccccc1C 62a_100000210303_100000184434 [0,2,0,0,0,0|2,0,0]=4 37160 B14R1.882 CCCSCCOc1ccccc1F 62a_100000183290_100000210303 [0,2,0,0,0,0|2,0,0]=4 37161 B14R1.882 CCCSCCOc1ccccc1F 62a_100000210303_100000183290 [0,2,0,0,0,0|2,0,0]=4 37162 B14R1.882 CCNCCCOc1ccccc1Br 2230a_100015525214_200011259276 [0,2,0,0,0,0|2,0,0]=4 37163 B14R1.882 CCNCCCOc1ccccc1C 2230a_100015525214_100000742659 [0,2,0,0,0,0|2,0,0]=4 37164 B14R1.882 CCNCCCOc1ccccc1C 2230a_106633784460_100000210202 [0,2,0,0,0,0|2,0,0]=4 37165 B14R1.882 CCNCCCOc1ccccc1C 34a_106633784460_100000210202 [0,2,0,0,0,0|2,0,0]=4 37166 B14R1.882 CCNCCCOc1ccccc1F 2230a_100000707858_100000210202 [0,2,0,0,0,0|2,0,0]=4 37167 B14R1.882 CCNCCCOc1ccccc1F 2230a_100015525214_100011203253 [0,2,0,0,0,0|2,0,0]=4 37168 B14R1.882 CCNCCCOc1ccccc1F 34a_100000707858_100000210202 [0,2,0,0,0,0|2,0,0]=4 37169 B14R1.882 CCNCCCSc1ccccc1Cl 2230a_100015525214_100000750589 [0,2,0,0,0,0|2,0,0]=4 37170 B14R1.882 CCNCCOCc1ccccc1Cl 2230a_100000745786_100000210202 [0,2,0,0,0,0|2,0,0]=4 37171 B14R1.882 CCNCCOCc1ccccc1Cl 34a_100000745786_100000210202 [0,2,0,0,0,0|2,0,0]=4 37172 B14R1.882 CCNCCSCc1ccccc1C 2230a_200000189569_100000210202 [0,2,0,0,0,0|2,0,0]=4 37173 B14R1.882 CCNCCSCc1ccccc1C 34a_200000189569_100000210202 [0,2,0,0,0,0|2,0,0]=4 37174 B14R1.882 CCNCCSCc1ccccc1C 7a_200000189569_100000210202 [0,2,0,0,0,0|2,0,0]=4 37175 B14R1.882 CCNCCSCc1ccccc1Cl 2230a_100011219180_100000210202 [0,2,0,0,0,0|2,0,0]=4 37176 B14R1.882 CCNCCSCc1ccccc1Cl 34a_100011219180_100000210202 [0,2,0,0,0,0|2,0,0]=4 37177 B14R1.882 CCNCCSCc1ccccc1Cl 7a_100011219180_100000210202 [0,2,0,0,0,0|2,0,0]=4 37178 B14R1.882 CCOCCCCc1ccccc1Br 34a_100012092669_100000210202 [0,2,0,0,0,0|1,0,0]=3 37179 B14R1.882 CCOCCCCc1ccccc1Br 7a_100012092669_100000210202 [0,2,0,0,0,0|1,0,0]=3 37180 B14R1.882 CCOCCCNc1ccccc1Br 34a_100000210017_100012232248 [0,2,0,0,0,0|2,0,0]=4 37181 B14R1.882 CCOCCCNc1ccccc1C 34a_100015192222_100012232248 [0,2,0,0,0,0|2,0,0]=4 37182 B14R1.882 CCOCCCNc1ccccc1Cl 34a_100000185783_100012232248 [0,2,0,0,0,0|2,0,0]=4 37183 B14R1.882 CCOCCCNc1ccccc1F 34a_100000210422_100012232248 [0,2,0,0,0,0|2,0,0]=4 37184 B14R1.882 CCOCCCNc1ccccc1I 34a_100000210053_100012232248 [0,2,0,0,0,0|2,0,0]=4 37185 B14R1.882 CCOCCCNc1ccccc1O 34a_100000185747_100012232248 [0,2,0,0,0,0|2,0,0]=4 37186 B14R1.882 CCOCCCOc1ccccc1Br 34a_100000181306_100012232248 [0,2,0,0,0,0|2,0,0]=4 37187 B14R1.882 CCOCCCOc1ccccc1Br 34a_100121572206_200011259276 [0,2,0,0,0,0|2,0,0]=4 37188 B14R1.882 CCOCCCOc1ccccc1Br 7a_100000181306_100012232248 [0,2,0,0,0,0|2,0,0]=4 37189 B14R1.882 CCOCCCOc1ccccc1C 34a_100000210338_100012232248 [0,2,0,0,0,0|2,0,0]=4 37190 B14R1.882 CCOCCCOc1ccccc1C 34a_100121572206_100000742659 [0,2,0,0,0,0|2,0,0]=4 37191 B14R1.882 CCOCCCOc1ccccc1C 7a_100000210338_100012232248 [0,2,0,0,0,0|2,0,0]=4 37192 B14R1.882 CCOCCCOc1ccccc1Cl 34a_100000210172_100012232248 [0,2,0,0,0,0|2,0,0]=4 37193 B14R1.882 CCOCCCOc1ccccc1Cl 34a_100000230521_100000210202 [0,2,0,0,0,0|2,0,0]=4 37194 B14R1.882 CCOCCCOc1ccccc1Cl 7a_100000210172_100012232248 [0,2,0,0,0,0|2,0,0]=4 37195 B14R1.882 CCOCCCOc1ccccc1Cl 7a_100000230521_100000210202 [0,2,0,0,0,0|2,0,0]=4 37196 B14R1.882 CCOCCCOc1ccccc1F 34a_100000210171_100012232248 [0,2,0,0,0,0|2,0,0]=4 37197 B14R1.882 CCOCCCOc1ccccc1F 34a_100121572206_100011203253 [0,2,0,0,0,0|2,0,0]=4 37198 B14R1.882 CCOCCCOc1ccccc1F 7a_100000210171_100012232248 [0,2,0,0,0,0|2,0,0]=4 37199 B14R1.882 CCOCCCOc1ccccc1I 34a_100000739446_100012232248 [0,2,0,0,0,0|2,0,0]=4 37200 B14R1.882 CCOCCCOc1ccccc1I 7a_100000739446_100012232248 [0,2,0,0,0,0|2,0,0]=4 37201 B14R1.882 CCOCCCOc1ccccc1N 34a_100000185747_100012232248 [0,2,0,0,0,0|2,0,0]=4 37202 B14R1.882 CCOCCCOc1ccccc1N 7a_100000185747_100012232248 [0,2,0,0,0,0|2,0,0]=4 37203 B14R1.882 CCOCCCSc1ccccc1Br 62a_100000695589_100012232248 [0,2,0,0,0,0|2,0,0]=4 37204 B14R1.882 CCOCCCSc1ccccc1Br 62a_100012232248_100000695589 [0,2,0,0,0,0|2,0,0]=4 37205 B14R1.882 CCOCCCSc1ccccc1C 62a_100000210755_100012232248 [0,2,0,0,0,0|2,0,0]=4 37206 B14R1.882 CCOCCCSc1ccccc1C 62a_100012232248_100000210755 [0,2,0,0,0,0|2,0,0]=4 37207 B14R1.882 CCOCCCSc1ccccc1Cl 34a_100121572206_100000750589 [0,2,0,0,0,0|2,0,0]=4 37208 B14R1.882 CCOCCCSc1ccccc1Cl 62a_100000764095_100012232248 [0,2,0,0,0,0|2,0,0]=4 37209 B14R1.882 CCOCCCSc1ccccc1Cl 62a_100012232248_100000764095 [0,2,0,0,0,0|2,0,0]=4 37210 B14R1.882 CCOCCCSc1ccccc1F 62a_100011215700_100012232248 [0,2,0,0,0,0|2,0,0]=4 37211 B14R1.882 CCOCCCSc1ccccc1F 62a_100012232248_100011215700 [0,2,0,0,0,0|2,0,0]=4 37212 B14R1.882 CCOCCCSc1ccccc1N 62a_100000210017_100012232248 [0,2,0,0,0,0|2,0,0]=4 37213 B14R1.882 CCOCCCSc1ccccc1N 62a_100012232248_100000210017 [0,2,0,0,0,0|2,0,0]=4 37214 B14R1.882 CCOCCCSc1ccccc1O 62a_100000739446_100012232248 [0,2,0,0,0,0|2,0,0]=4 37215 B14R1.882 CCOCCCSc1ccccc1O 62a_100012232248_100000739446 [0,2,0,0,0,0|2,0,0]=4 37216 B14R1.882 CCOCCNCc1ccccc1Br 207a_100011200944_100000211189 [0,2,0,0,0,0|2,0,0]=4 37217 B14R1.882 CCOCCNCc1ccccc1Br 2230a_100000689332_100011215890 [0,2,0,0,0,0|2,0,0]=4 37218 B14R1.882 CCOCCNCc1ccccc1Br 2230a_102516460346_100000184730 [0,2,0,0,0,0|2,0,0]=4 37219 B14R1.882 CCOCCNCc1ccccc1Br 270004a_102516460346_100000211189 [0,2,0,0,0,0|2,0,0]=4 37220 B14R1.882 CCOCCNCc1ccccc1Br 34a_100000689332_100000210147 [0,2,0,0,0,0|2,0,0]=4 37221 B14R1.882 CCOCCNCc1ccccc1Br 34a_102516460346_100000184730 [0,2,0,0,0,0|2,0,0]=4 37222 B14R1.882 CCOCCNCc1ccccc1Br 34a_106744479749_100000210202 [0,2,0,0,0,0|2,0,0]=4 37223 B14R1.882 CCOCCNCc1ccccc1C 207a_100011200944_100000211143 [0,2,0,0,0,0|2,0,0]=4 37224 B14R1.882 CCOCCNCc1ccccc1C 2230a_102516460346_100000211839 [0,2,0,0,0,0|2,0,0]=4 37225 B14R1.882 CCOCCNCc1ccccc1C 270004a_102516460346_100000211143 [0,2,0,0,0,0|2,0,0]=4 37226 B14R1.882 CCOCCNCc1ccccc1C 34a_100000174972_100000210147 [0,2,0,0,0,0|2,0,0]=4 37227 B14R1.882 CCOCCNCc1ccccc1C 34a_102516460346_100000211839 [0,2,0,0,0,0|2,0,0]=4 37228 B14R1.882 CCOCCNCc1ccccc1Cl 207a_100011200944_100000210073 [0,2,0,0,0,0|2,0,0]=4 37229 B14R1.882 CCOCCNCc1ccccc1Cl 2230a_100000174879_100011215890 [0,2,0,0,0,0|2,0,0]=4 37230 B14R1.882 CCOCCNCc1ccccc1Cl 2230a_102516460346_100000187162 [0,2,0,0,0,0|2,0,0]=4 37231 B14R1.882 CCOCCNCc1ccccc1Cl 270004a_102516460346_100000210073 [0,2,0,0,0,0|2,0,0]=4 37232 B14R1.882 CCOCCNCc1ccccc1Cl 34a_100000174879_100000210147 [0,2,0,0,0,0|2,0,0]=4 37233 B14R1.882 CCOCCNCc1ccccc1Cl 34a_100015187164_100000210202 [0,2,0,0,0,0|2,0,0]=4 37234 B14R1.882 CCOCCNCc1ccccc1Cl 34a_102516460346_100000187162 [0,2,0,0,0,0|2,0,0]=4 37235 B14R1.882 CCOCCNCc1ccccc1F 207a_100011200944_100000210811 [0,2,0,0,0,0|2,0,0]=4 37236 B14R1.882 CCOCCNCc1ccccc1F 2230a_102516460346_100000211605 [0,2,0,0,0,0|2,0,0]=4 37237 B14R1.882 CCOCCNCc1ccccc1F 270004a_102516460346_100000210811 [0,2,0,0,0,0|2,0,0]=4 37238 B14R1.882 CCOCCNCc1ccccc1F 34a_100000174869_100000210147 [0,2,0,0,0,0|2,0,0]=4 37239 B14R1.882 CCOCCNCc1ccccc1F 34a_102516460346_100000211605 [0,2,0,0,0,0|2,0,0]=4 37240 B14R1.882 CCOCCNCc1ccccc1I 207a_100011200944_100000010305 [0,2,0,0,0,0|2,0,0]=4 37241 B14R1.882 CCOCCNCc1ccccc1I 2230a_102516460346_100011215278 [0,2,0,0,0,0|2,0,0]=4 37242 B14R1.882 CCOCCNCc1ccccc1I 270004a_102516460346_100000010305 [0,2,0,0,0,0|2,0,0]=4 37243 B14R1.882 CCOCCNCc1ccccc1I 34a_102516460346_100011215278 [0,2,0,0,0,0|2,0,0]=4 37244 B14R1.882 CCOCCNCc1ccccc1O 34a_100000185550_100000210147 [0,2,0,0,0,0|2,0,0]=4 37245 B14R1.882 CCOCCOCc1ccccc1Br 34a_100000210136_100000184730 [0,2,0,0,0,0|2,0,0]=4 37246 B14R1.882 CCOCCOCc1ccccc1Br 34a_100000756307_100000210147 [0,2,0,0,0,0|2,0,0]=4 37247 B14R1.882 CCOCCOCc1ccccc1Br 7a_100000210136_100000184730 [0,2,0,0,0,0|2,0,0]=4 37248 B14R1.882 CCOCCOCc1ccccc1Br 7a_100000756307_100011215890 [0,2,0,0,0,0|2,0,0]=4 37249 B14R1.882 CCOCCOCc1ccccc1C 34a_100000210136_100000211839 [0,2,0,0,0,0|2,0,0]=4 37250 B14R1.882 CCOCCOCc1ccccc1C 34a_100000698903_100000210147 [0,2,0,0,0,0|2,0,0]=4 37251 B14R1.882 CCOCCOCc1ccccc1C 7a_100000210136_100000211839 [0,2,0,0,0,0|2,0,0]=4 37252 B14R1.882 CCOCCOCc1ccccc1C 7a_100000698903_100011215890 [0,2,0,0,0,0|2,0,0]=4 37253 B14R1.882 CCOCCOCc1ccccc1Cl 34a_100000210136_100000187162 [0,2,0,0,0,0|2,0,0]=4 37254 B14R1.882 CCOCCOCc1ccccc1Cl 34a_100000210847_100000210147 [0,2,0,0,0,0|2,0,0]=4 37255 B14R1.882 CCOCCOCc1ccccc1Cl 7a_100000210136_100000187162 [0,2,0,0,0,0|2,0,0]=4 37256 B14R1.882 CCOCCOCc1ccccc1Cl 7a_100000210847_100011215890 [0,2,0,0,0,0|2,0,0]=4 37257 B14R1.882 CCOCCOCc1ccccc1F 34a_100000210136_100000211605 [0,2,0,0,0,0|2,0,0]=4 37258 B14R1.882 CCOCCOCc1ccccc1F 34a_100000211962_100000210147 [0,2,0,0,0,0|2,0,0]=4 37259 B14R1.882 CCOCCOCc1ccccc1F 7a_100000210136_100000211605 [0,2,0,0,0,0|2,0,0]=4 37260 B14R1.882 CCOCCOCc1ccccc1F 7a_100000211962_100011215890 [0,2,0,0,0,0|2,0,0]=4 37261 B14R1.882 CCOCCOCc1ccccc1I 34a_100000187465_100000210147 [0,2,0,0,0,0|2,0,0]=4 37262 B14R1.882 CCOCCOCc1ccccc1I 34a_100000210136_100011215278 [0,2,0,0,0,0|2,0,0]=4 37263 B14R1.882 CCOCCOCc1ccccc1I 7a_100000187465_100011215890 [0,2,0,0,0,0|2,0,0]=4 37264 B14R1.882 CCOCCOCc1ccccc1I 7a_100000210136_100011215278 [0,2,0,0,0,0|2,0,0]=4 37265 B14R1.882 CCOCCOCc1ccccc1N 34a_100000212039_100000210147 [0,2,0,0,0,0|2,0,0]=4 37266 B14R1.882 CCOCCSCc1ccccc1Br 62a_100000184730_100011215890 [0,2,0,0,0,0|2,0,0]=4 37267 B14R1.882 CCOCCSCc1ccccc1Br 62a_100000210147_100000184730 [0,2,0,0,0,0|2,0,0]=4 37268 B14R1.882 CCOCCSCc1ccccc1C 62a_100000210147_100000211839 [0,2,0,0,0,0|2,0,0]=4 37269 B14R1.882 CCOCCSCc1ccccc1C 62a_100000211839_100011215890 [0,2,0,0,0,0|2,0,0]=4 37270 B14R1.882 CCOCCSCc1ccccc1Cl 62a_100000187162_100011215890 [0,2,0,0,0,0|2,0,0]=4 37271 B14R1.882 CCOCCSCc1ccccc1Cl 62a_100000210147_100000187162 [0,2,0,0,0,0|2,0,0]=4 37272 B14R1.882 CCOCCSCc1ccccc1F 62a_100000210147_100000211605 [0,2,0,0,0,0|2,0,0]=4 37273 B14R1.882 CCOCCSCc1ccccc1F 62a_100000211605_100011215890 [0,2,0,0,0,0|2,0,0]=4 37274 B14R1.882 CCOCCSCc1ccccc1I 62a_100000210147_100011216222 [0,2,0,0,0,0|2,0,0]=4 37275 B14R1.882 CCOCCSCc1ccccc1I 62a_100011216222_100011215890 [0,2,0,0,0,0|2,0,0]=4 37276 B14R1.882 CCOCSCCc1ccccc1Br 62a_100000739092_100012161201 [0,2,0,0,0,0|2,0,0]=4 37277 B14R1.882 CCOCSCCc1ccccc1Br 62a_100012161201_100000739092 [0,2,0,0,0,0|2,0,0]=4 37278 B14R1.882 CCOCSCCc1ccccc1C 62a_100000739092_100011713688 [0,2,0,0,0,0|2,0,0]=4 37279 B14R1.882 CCOCSCCc1ccccc1C 62a_100011713688_100000739092 [0,2,0,0,0,0|2,0,0]=4 37280 B14R1.882 CCOCSCCc1ccccc1Cl 62a_100000739092_100011713703 [0,2,0,0,0,0|2,0,0]=4 37281 B14R1.882 CCOCSCCc1ccccc1Cl 62a_100011713703_100000739092 [0,2,0,0,0,0|2,0,0]=4 37282 B14R1.882 CCOCSCCc1ccccc1F 62a_100000739092_100011713696 [0,2,0,0,0,0|2,0,0]=4 37283 B14R1.882 CCOCSCCc1ccccc1F 62a_100011713696_100000739092 [0,2,0,0,0,0|2,0,0]=4 37284 B14R1.882 CCOCSCCc1ccccc1O 62a_100000722297_100000739092 [0,2,0,0,0,0|2,0,0]=4 37285 B14R1.882 CCOCSCCc1ccccc1O 62a_100000739092_100000722297 [0,2,0,0,0,0|2,0,0]=4 37286 B14R1.882 CCSCCCOc1ccccc1Br 62a_100000210202_200011259276 [0,2,0,0,0,0|2,0,0]=4 37287 B14R1.882 CCSCCCOc1ccccc1Br 62a_200011259276_100000210202 [0,2,0,0,0,0|2,0,0]=4 37288 B14R1.882 CCSCCCOc1ccccc1C 62a_100000210202_100000742659 [0,2,0,0,0,0|2,0,0]=4 37289 B14R1.882 CCSCCCOc1ccccc1C 62a_100000742659_100000210202 [0,2,0,0,0,0|2,0,0]=4 37290 B14R1.882 CCSCCCOc1ccccc1F 62a_100000210202_100011203253 [0,2,0,0,0,0|2,0,0]=4 37291 B14R1.882 CCSCCCOc1ccccc1F 62a_100011203253_100000210202 [0,2,0,0,0,0|2,0,0]=4 37292 B14R1.882 CCSCCCSc1ccccc1Cl 62a_100000210202_100000750589 [0,2,0,0,0,0|2,0,0]=4 37293 B14R1.882 CCSCCCSc1ccccc1Cl 62a_100000750589_100000210202 [0,2,0,0,0,0|2,0,0]=4 37294 B14R1.882 CCSCCNCc1ccccc1Br 207a_100000106463_100000211189 [0,2,0,0,0,0|2,0,0]=4 37295 B14R1.882 CCSCCNCc1ccccc1Br 2230a_100000106463_100000184730 [0,2,0,0,0,0|2,0,0]=4 37296 B14R1.882 CCSCCNCc1ccccc1Br 2230a_100000689332_100000757381 [0,2,0,0,0,0|2,0,0]=4 37297 B14R1.882 CCSCCNCc1ccccc1Br 270004a_100000106463_100000211189 [0,2,0,0,0,0|2,0,0]=4 37298 B14R1.882 CCSCCNCc1ccccc1Br 34a_100000689332_100000757381 [0,2,0,0,0,0|2,0,0]=4 37299 B14R1.882 CCSCCNCc1ccccc1C 207a_100000106463_100000211143 [0,2,0,0,0,0|2,0,0]=4 37300 B14R1.882 CCSCCNCc1ccccc1C 2230a_100000106463_100000211839 [0,2,0,0,0,0|2,0,0]=4 37301 B14R1.882 CCSCCNCc1ccccc1C 270004a_100000106463_100000211143 [0,2,0,0,0,0|2,0,0]=4 37302 B14R1.882 CCSCCNCc1ccccc1C 34a_100000174972_100000757381 [0,2,0,0,0,0|2,0,0]=4 37303 B14R1.882 CCSCCNCc1ccccc1Cl 207a_100000106463_100000210073 [0,2,0,0,0,0|2,0,0]=4 37304 B14R1.882 CCSCCNCc1ccccc1Cl 2230a_100000106463_100000187162 [0,2,0,0,0,0|2,0,0]=4 37305 B14R1.882 CCSCCNCc1ccccc1Cl 2230a_100000174879_100000757381 [0,2,0,0,0,0|2,0,0]=4 37306 B14R1.882 CCSCCNCc1ccccc1Cl 270004a_100000106463_100000210073 [0,2,0,0,0,0|2,0,0]=4 37307 B14R1.882 CCSCCNCc1ccccc1Cl 34a_100000174879_100000757381 [0,2,0,0,0,0|2,0,0]=4 37308 B14R1.882 CCSCCNCc1ccccc1F 207a_100000106463_100000210811 [0,2,0,0,0,0|2,0,0]=4 37309 B14R1.882 CCSCCNCc1ccccc1F 2230a_100000106463_100000211605 [0,2,0,0,0,0|2,0,0]=4 37310 B14R1.882 CCSCCNCc1ccccc1F 270004a_100000106463_100000210811 [0,2,0,0,0,0|2,0,0]=4 37311 B14R1.882 CCSCCNCc1ccccc1F 34a_100000174869_100000757381 [0,2,0,0,0,0|2,0,0]=4 37312 B14R1.882 CCSCCNCc1ccccc1I 207a_100000106463_100000010305 [0,2,0,0,0,0|2,0,0]=4 37313 B14R1.882 CCSCCNCc1ccccc1I 2230a_100000106463_100011215278 [0,2,0,0,0,0|2,0,0]=4 37314 B14R1.882 CCSCCNCc1ccccc1I 270004a_100000106463_100000010305 [0,2,0,0,0,0|2,0,0]=4 37315 B14R1.882 CCSCCNCc1ccccc1O 34a_100000185550_100000757381 [0,2,0,0,0,0|2,0,0]=4 37316 B14R1.882 CCSCCOCc1ccccc1Br 34a_100000212035_100000184730 [0,2,0,0,0,0|2,0,0]=4 37317 B14R1.882 CCSCCOCc1ccccc1Br 34a_100000756307_100000757381 [0,2,0,0,0,0|2,0,0]=4 37318 B14R1.882 CCSCCOCc1ccccc1Br 7a_100000212035_100000184730 [0,2,0,0,0,0|2,0,0]=4 37319 B14R1.882 CCSCCOCc1ccccc1Br 7a_100000756307_100000757381 [0,2,0,0,0,0|2,0,0]=4 37320 B14R1.882 CCSCCOCc1ccccc1C 34a_100000212035_100000211839 [0,2,0,0,0,0|2,0,0]=4 37321 B14R1.882 CCSCCOCc1ccccc1C 34a_100000698903_100000757381 [0,2,0,0,0,0|2,0,0]=4 37322 B14R1.882 CCSCCOCc1ccccc1C 7a_100000212035_100000211839 [0,2,0,0,0,0|2,0,0]=4 37323 B14R1.882 CCSCCOCc1ccccc1C 7a_100000698903_100000757381 [0,2,0,0,0,0|2,0,0]=4 37324 B14R1.882 CCSCCOCc1ccccc1Cl 34a_100000210847_100000757381 [0,2,0,0,0,0|2,0,0]=4 37325 B14R1.882 CCSCCOCc1ccccc1Cl 34a_100000212035_100000187162 [0,2,0,0,0,0|2,0,0]=4 37326 B14R1.882 CCSCCOCc1ccccc1Cl 7a_100000210847_100000757381 [0,2,0,0,0,0|2,0,0]=4 37327 B14R1.882 CCSCCOCc1ccccc1Cl 7a_100000212035_100000187162 [0,2,0,0,0,0|2,0,0]=4 37328 B14R1.882 CCSCCOCc1ccccc1F 34a_100000211962_100000757381 [0,2,0,0,0,0|2,0,0]=4 37329 B14R1.882 CCSCCOCc1ccccc1F 34a_100000212035_100000211605 [0,2,0,0,0,0|2,0,0]=4 37330 B14R1.882 CCSCCOCc1ccccc1F 7a_100000211962_100000757381 [0,2,0,0,0,0|2,0,0]=4 37331 B14R1.882 CCSCCOCc1ccccc1F 7a_100000212035_100000211605 [0,2,0,0,0,0|2,0,0]=4 37332 B14R1.882 CCSCCOCc1ccccc1I 34a_100000187465_100000757381 [0,2,0,0,0,0|2,0,0]=4 37333 B14R1.882 CCSCCOCc1ccccc1I 34a_100000212035_100011215278 [0,2,0,0,0,0|2,0,0]=4 37334 B14R1.882 CCSCCOCc1ccccc1I 7a_100000187465_100000757381 [0,2,0,0,0,0|2,0,0]=4 37335 B14R1.882 CCSCCOCc1ccccc1I 7a_100000212035_100011215278 [0,2,0,0,0,0|2,0,0]=4 37336 B14R1.882 CCSCCOCc1ccccc1N 34a_100000212039_100000757381 [0,2,0,0,0,0|2,0,0]=4 37337 B14R1.882 CCSCCSCc1ccccc1Br 62a_100000184730_100000757381 [0,2,0,0,0,0|2,0,0]=4 37338 B14R1.882 CCSCCSCc1ccccc1Br 62a_100000757381_100000184730 [0,2,0,0,0,0|2,0,0]=4 37339 B14R1.882 CCSCCSCc1ccccc1C 62a_100000211839_100000757381 [0,2,0,0,0,0|2,0,0]=4 37340 B14R1.882 CCSCCSCc1ccccc1C 62a_100000757381_100000211839 [0,2,0,0,0,0|2,0,0]=4 37341 B14R1.882 CCSCCSCc1ccccc1Cl 62a_100000187162_100000757381 [0,2,0,0,0,0|2,0,0]=4 37342 B14R1.882 CCSCCSCc1ccccc1Cl 62a_100000757381_100000187162 [0,2,0,0,0,0|2,0,0]=4 37343 B14R1.882 CCSCCSCc1ccccc1F 62a_100000211605_100000757381 [0,2,0,0,0,0|2,0,0]=4 37344 B14R1.882 CCSCCSCc1ccccc1F 62a_100000757381_100000211605 [0,2,0,0,0,0|2,0,0]=4 37345 B14R1.882 CCSCCSCc1ccccc1I 62a_100000757381_100011216222 [0,2,0,0,0,0|2,0,0]=4 37346 B14R1.882 CCSCCSCc1ccccc1I 62a_100011216222_100000757381 [0,2,0,0,0,0|2,0,0]=4 37347 B14R1.882 CNCCCOCc1ccccc1Br 34a_100000213112_100000184730 [0,2,0,0,0,0|2,0,0]=4 37348 B14R1.882 CNCCCOCc1ccccc1C 34a_100000213112_100000211839 [0,2,0,0,0,0|2,0,0]=4 37349 B14R1.882 CNCCCOCc1ccccc1Cl 34a_100000213112_100000187162 [0,2,0,0,0,0|2,0,0]=4 37350 B14R1.882 CNCCCOCc1ccccc1F 34a_100000213112_100000211605 [0,2,0,0,0,0|2,0,0]=4 37351 B14R1.882 CNCCCOCc1ccccc1I 34a_100000213112_100011215278 [0,2,0,0,0,0|2,0,0]=4 37352 B14R1.882 CNCCCSCc1ccccc1C 2230a_100000189570_200000210301 [0,2,0,0,0,0|2,0,0]=4 37353 B14R1.882 CNCCCSCc1ccccc1C 34a_100000189570_200000210301 [0,2,0,0,0,0|2,0,0]=4 37354 B14R1.882 CNCCCSCc1ccccc1C 7a_100000189570_200000210301 [0,2,0,0,0,0|2,0,0]=4 37355 B14R1.882 CNCCCSCc1ccccc1Cl 2230a_100012022078_200000210301 [0,2,0,0,0,0|2,0,0]=4 37356 B14R1.882 CNCCCSCc1ccccc1Cl 34a_100012022078_200000210301 [0,2,0,0,0,0|2,0,0]=4 37357 B14R1.882 CNCCCSCc1ccccc1Cl 7a_100012022078_200000210301 [0,2,0,0,0,0|2,0,0]=4 37358 B14R1.882 CNCCCSCc1ccccc1F 2230a_100012017350_200000210301 [0,2,0,0,0,0|2,0,0]=4 37359 B14R1.882 CNCCCSCc1ccccc1F 34a_100012017350_200000210301 [0,2,0,0,0,0|2,0,0]=4 37360 B14R1.882 CNCCCSCc1ccccc1F 7a_100012017350_200000210301 [0,2,0,0,0,0|2,0,0]=4 37361 B14R1.882 COCCCCNc1ccccc1Br 34a_100000210017_100000755781 [0,2,0,0,0,0|1,0,0]=3 37362 B14R1.882 COCCCCNc1ccccc1C 34a_100015192222_100000755781 [0,2,0,0,0,0|1,0,0]=3 37363 B14R1.882 COCCCCNc1ccccc1Cl 34a_100000185783_100000755781 [0,2,0,0,0,0|1,0,0]=3 37364 B14R1.882 COCCCCNc1ccccc1F 34a_100000210422_100000755781 [0,2,0,0,0,0|1,0,0]=3 37365 B14R1.882 COCCCCNc1ccccc1I 34a_100000210053_100000755781 [0,2,0,0,0,0|1,0,0]=3 37366 B14R1.882 COCCCCNc1ccccc1O 34a_100000185747_100000755781 [0,2,0,0,0,0|1,0,0]=3 37367 B14R1.882 COCCCCOc1cccc[n+]1[O-] 7a_100000211761_100000730899 [0,2,0,0,0,0|2,0,0]=4 37368 B14R1.882 COCCCCOc1ccccc1Br 34a_100000181306_100000755781 [0,2,0,0,0,0|1,0,0]=3 37369 B14R1.882 COCCCCOc1ccccc1Br 7a_100000181306_100000730899 [0,2,0,0,0,0|1,0,0]=3 37370 B14R1.882 COCCCCOc1ccccc1C 34a_100000210338_100000755781 [0,2,0,0,0,0|1,0,0]=3 37371 B14R1.882 COCCCCOc1ccccc1C 7a_100000210338_100000730899 [0,2,0,0,0,0|1,0,0]=3 37372 B14R1.882 COCCCCOc1ccccc1Cl 34a_100000210172_100000755781 [0,2,0,0,0,0|1,0,0]=3 37373 B14R1.882 COCCCCOc1ccccc1Cl 7a_100000210172_100000730899 [0,2,0,0,0,0|1,0,0]=3 37374 B14R1.882 COCCCCOc1ccccc1F 34a_100000210171_100000755781 [0,2,0,0,0,0|1,0,0]=3 37375 B14R1.882 COCCCCOc1ccccc1F 7a_100000210171_100000730899 [0,2,0,0,0,0|1,0,0]=3 37376 B14R1.882 COCCCCOc1ccccc1I 34a_100000739446_100000755781 [0,2,0,0,0,0|1,0,0]=3 37377 B14R1.882 COCCCCOc1ccccc1I 7a_100000739446_100000730899 [0,2,0,0,0,0|1,0,0]=3 37378 B14R1.882 COCCCCOc1ccccc1N 34a_100000185747_100000755781 [0,2,0,0,0,0|1,0,0]=3 37379 B14R1.882 COCCCCOc1ccccc1N 7a_100000185747_100000730899 [0,2,0,0,0,0|1,0,0]=3 37380 B14R1.882 COCCCCOc1cccnc1Br 34a_100000744436_100000755781 [0,2,0,0,0,0|2,0,0]=4 37381 B14R1.882 COCCCCOc1cccnc1Br 7a_100000744436_100000730899 [0,2,0,0,0,0|2,0,0]=4 37382 B14R1.882 COCCCCOc1cccnc1C 34a_100000745507_100000755781 [0,2,0,0,0,0|2,0,0]=4 37383 B14R1.882 COCCCCOc1cccnc1C 7a_100000745507_100000730899 [0,2,0,0,0,0|2,0,0]=4 37384 B14R1.882 COCCCCOc1cccnc1Cl 34a_100000757616_100000755781 [0,2,0,0,0,0|2,0,0]=4 37385 B14R1.882 COCCCCOc1cccnc1Cl 7a_100000757616_100000730899 [0,2,0,0,0,0|2,0,0]=4 37386 B14R1.882 COCCCCOc1cccnc1F 34a_100000061740_100000755781 [0,2,0,0,0,0|2,0,0]=4 37387 B14R1.882 COCCCCOc1cccnc1F 7a_100000061740_100000730899 [0,2,0,0,0,0|2,0,0]=4 37388 B14R1.882 COCCCCOc1cccnc1I 34a_100000034122_100000755781 [0,2,0,0,0,0|2,0,0]=4 37389 B14R1.882 COCCCCOc1cccnc1I 7a_100000034122_100000730899 [0,2,0,0,0,0|2,0,0]=4 37390 B14R1.882 COCCCCOc1cccnc1N 34a_100000211975_100000755781 [0,2,0,0,0,0|2,0,0]=4 37391 B14R1.882 COCCCCOc1cccnc1N 7a_100000211975_100000730899 [0,2,0,0,0,0|2,0,0]=4 37392 B14R1.882 COCCCCOc1cccoc1=O 34a_100000077404_100000755781 [0,2,0,0,0,0|2,0,0]=4 37393 B14R1.882 COCCCCOc1cccoc1=O 7a_100000077404_100000730899 [0,2,0,0,0,0|2,0,0]=4 37394 B14R1.882 COCCCCOc1ccncc1Br 34a_100011996408_100000755781 [0,2,0,0,0,0|2,0,0]=4 37395 B14R1.882 COCCCCOc1ccncc1C 34a_100000694293_100000755781 [0,2,0,0,0,0|2,0,0]=4 37396 B14R1.882 COCCCCOc1ccncc1Cl 34a_100011997054_100000755781 [0,2,0,0,0,0|2,0,0]=4 37397 B14R1.882 COCCCCOc1ccncc1F 34a_200000081243_100000755781 [0,2,0,0,0,0|2,0,0]=4 37398 B14R1.882 COCCCCOc1cnccc1C 34a_100011997053_100000755781 [0,2,0,0,0,0|2,0,0]=4 37399 B14R1.882 COCCCCOc1cnccc1C 7a_100011997053_100000730899 [0,2,0,0,0,0|2,0,0]=4 37400 B14R1.882 COCCCCOc1cnccc1Cl 34a_100011996695_100000755781 [0,2,0,0,0,0|2,0,0]=4 37401 B14R1.882 COCCCCOc1cnccc1I 34a_100000050107_100000755781 [0,2,0,0,0,0|2,0,0]=4 37402 B14R1.882 COCCCCOc1cnccc1N 34a_100000753702_100000755781 [0,2,0,0,0,0|2,0,0]=4 37403 B14R1.882 COCCCCOc1coccc1=O 34a_100000060831_100000755781 [0,2,0,0,0,0|2,0,0]=4 37404 B14R1.882 COCCCCOc1ncccc1Cl 34a_100011290957_100000755781 [0,2,0,0,0,0|2,0,0]=4 37405 B14R1.882 COCCCCOc1ncccc1F 34a_100011219419_100000755781 [0,2,0,0,0,0|2,0,0]=4 37406 B14R1.882 COCCCCOc1ncccc1N 34a_100000746358_100000755781 [0,2,0,0,0,0|2,0,0]=4 37407 B14R1.882 COCCCCSc1c[nH]ccc1=O 62a_100000730899_100009998708 [0,2,0,0,0,0|2,0,0]=4 37408 B14R1.882 COCCCCSc1c[nH]ccc1=O 62a_100009998708_100000730899 [0,2,0,0,0,0|2,0,0]=4 37409 B14R1.882 COCCCCSc1c[nH]ccc1=S 62a_100000730899_200012280681 [0,2,0,0,0,0|2,0,0]=4 37410 B14R1.882 COCCCCSc1c[nH]ccc1=S 62a_200012280681_100000730899 [0,2,0,0,0,0|2,0,0]=4 37411 B14R1.882 COCCCCSc1cccc[n+]1C 62a_100000730899_100000212160 [0,2,0,0,0,0|2,0,0]=4 37412 B14R1.882 COCCCCSc1cccc[n+]1[O-] 62a_100000730899_200000042595 [0,2,0,0,0,0|2,0,0]=4 37413 B14R1.882 COCCCCSc1ccccc1Br 62a_100000695589_100000730899 [0,2,0,0,0,0|1,0,0]=3 37414 B14R1.882 COCCCCSc1ccccc1Br 62a_100000730899_100000695589 [0,2,0,0,0,0|1,0,0]=3 37415 B14R1.882 COCCCCSc1ccccc1C 62a_100000210755_100000730899 [0,2,0,0,0,0|1,0,0]=3 37416 B14R1.882 COCCCCSc1ccccc1C 62a_100000730899_100000210755 [0,2,0,0,0,0|1,0,0]=3 37417 B14R1.882 COCCCCSc1ccccc1Cl 62a_100000730899_100000764095 [0,2,0,0,0,0|1,0,0]=3 37418 B14R1.882 COCCCCSc1ccccc1Cl 62a_100000764095_100000730899 [0,2,0,0,0,0|1,0,0]=3 37419 B14R1.882 COCCCCSc1ccccc1F 62a_100000730899_100011215700 [0,2,0,0,0,0|1,0,0]=3 37420 B14R1.882 COCCCCSc1ccccc1F 62a_100011215700_100000730899 [0,2,0,0,0,0|1,0,0]=3 37421 B14R1.882 COCCCCSc1ccccc1N 62a_100000210017_100000730899 [0,2,0,0,0,0|1,0,0]=3 37422 B14R1.882 COCCCCSc1ccccc1N 62a_100000730899_100000210017 [0,2,0,0,0,0|1,0,0]=3 37423 B14R1.882 COCCCCSc1ccccc1O 62a_100000730899_100000739446 [0,2,0,0,0,0|1,0,0]=3 37424 B14R1.882 COCCCCSc1ccccc1O 62a_100000739446_100000730899 [0,2,0,0,0,0|1,0,0]=3 37425 B14R1.882 COCCCCSc1cccnc1Br 62a_100000730899_100010202626 [0,2,0,0,0,0|2,0,0]=4 37426 B14R1.882 COCCCCSc1cccnc1Br 62a_100010202626_100000730899 [0,2,0,0,0,0|2,0,0]=4 37427 B14R1.882 COCCCCSc1cccnc1C 62a_100000730899_100000751574 [0,2,0,0,0,0|2,0,0]=4 37428 B14R1.882 COCCCCSc1cccnc1C 62a_100000751574_100000730899 [0,2,0,0,0,0|2,0,0]=4 37429 B14R1.882 COCCCCSc1cccnc1Cl 62a_100000036424_100000730899 [0,2,0,0,0,0|2,0,0]=4 37430 B14R1.882 COCCCCSc1cccnc1Cl 62a_100000730899_100000036424 [0,2,0,0,0,0|2,0,0]=4 37431 B14R1.882 COCCCCSc1cccnc1F 62a_100000730899_100009816115 [0,2,0,0,0,0|2,0,0]=4 37432 B14R1.882 COCCCCSc1cccnc1F 62a_100009816115_100000730899 [0,2,0,0,0,0|2,0,0]=4 37433 B14R1.882 COCCCCSc1cccnc1N 62a_100000045569_100000730899 [0,2,0,0,0,0|2,0,0]=4 37434 B14R1.882 COCCCCSc1cccnc1N 62a_100000730899_100000045569 [0,2,0,0,0,0|2,0,0]=4 37435 B14R1.882 COCCCCSc1cccnc1O 62a_100000730899_100000760158 [0,2,0,0,0,0|2,0,0]=4 37436 B14R1.882 COCCCCSc1cccnc1O 62a_100000760158_100000730899 [0,2,0,0,0,0|2,0,0]=4 37437 B14R1.882 COCCCCSc1ccncc1Br 62a_100000726257_100000730899 [0,2,0,0,0,0|2,0,0]=4 37438 B14R1.882 COCCCCSc1ccncc1Br 62a_100000730899_100000726257 [0,2,0,0,0,0|2,0,0]=4 37439 B14R1.882 COCCCCSc1ccncc1C 62a_100000730899_100000765111 [0,2,0,0,0,0|2,0,0]=4 37440 B14R1.882 COCCCCSc1ccncc1C 62a_100000765111_100000730899 [0,2,0,0,0,0|2,0,0]=4 37441 B14R1.882 COCCCCSc1ccncc1Cl 62a_100000708259_100000730899 [0,2,0,0,0,0|2,0,0]=4 37442 B14R1.882 COCCCCSc1ccncc1Cl 62a_100000730899_100000708259 [0,2,0,0,0,0|2,0,0]=4 37443 B14R1.882 COCCCCSc1ccncc1F 62a_100000047030_100000730899 [0,2,0,0,0,0|2,0,0]=4 37444 B14R1.882 COCCCCSc1ccncc1F 62a_100000730899_100000047030 [0,2,0,0,0,0|2,0,0]=4 37445 B14R1.882 COCCCCSc1ccncc1N 62a_100000730899_100000756074 [0,2,0,0,0,0|2,0,0]=4 37446 B14R1.882 COCCCCSc1ccncc1N 62a_100000756074_100000730899 [0,2,0,0,0,0|2,0,0]=4 37447 B14R1.882 COCCCCSc1ccncc1O 62a_100000730899_100009817591 [0,2,0,0,0,0|2,0,0]=4 37448 B14R1.882 COCCCCSc1ccncc1O 62a_100009817591_100000730899 [0,2,0,0,0,0|2,0,0]=4 37449 B14R1.882 COCCCCSc1cnccc1Br 62a_100000730899_100010138639 [0,2,0,0,0,0|2,0,0]=4 37450 B14R1.882 COCCCCSc1cnccc1Br 62a_100010138639_100000730899 [0,2,0,0,0,0|2,0,0]=4 37451 B14R1.882 COCCCCSc1cnccc1C 62a_100000730899_100000761580 [0,2,0,0,0,0|2,0,0]=4 37452 B14R1.882 COCCCCSc1cnccc1C 62a_100000761580_100000730899 [0,2,0,0,0,0|2,0,0]=4 37453 B14R1.882 COCCCCSc1cnccc1Cl 62a_100000730899_100009995489 [0,2,0,0,0,0|2,0,0]=4 37454 B14R1.882 COCCCCSc1cnccc1Cl 62a_100009995489_100000730899 [0,2,0,0,0,0|2,0,0]=4 37455 B14R1.882 COCCCCSc1cnccc1F 62a_100000730899_100009820683 [0,2,0,0,0,0|2,0,0]=4 37456 B14R1.882 COCCCCSc1cnccc1F 62a_100009820683_100000730899 [0,2,0,0,0,0|2,0,0]=4 37457 B14R1.882 COCCCCSc1cnccc1N 62a_100000047001_100000730899 [0,2,0,0,0,0|2,0,0]=4 37458 B14R1.882 COCCCCSc1cnccc1N 62a_100000730899_100000047001 [0,2,0,0,0,0|2,0,0]=4 37459 B14R1.882 COCCCCSc1ncccc1Br 62a_100000696092_100000730899 [0,2,0,0,0,0|2,0,0]=4 37460 B14R1.882 COCCCCSc1ncccc1Br 62a_100000730899_100000696092 [0,2,0,0,0,0|2,0,0]=4 37461 B14R1.882 COCCCCSc1ncccc1C 62a_100000730899_100000751373 [0,2,0,0,0,0|2,0,0]=4 37462 B14R1.882 COCCCCSc1ncccc1C 62a_100000751373_100000730899 [0,2,0,0,0,0|2,0,0]=4 37463 B14R1.882 COCCCCSc1ncccc1Cl 62a_100000730899_100011356963 [0,2,0,0,0,0|2,0,0]=4 37464 B14R1.882 COCCCCSc1ncccc1Cl 62a_100011356963_100000730899 [0,2,0,0,0,0|2,0,0]=4 37465 B14R1.882 COCCCCSc1ncccc1F 62a_100000685392_100000730899 [0,2,0,0,0,0|2,0,0]=4 37466 B14R1.882 COCCCCSc1ncccc1F 62a_100000730899_100000685392 [0,2,0,0,0,0|2,0,0]=4 37467 B14R1.882 COCCCCSc1ncccc1N 62a_100000688686_100000730899 [0,2,0,0,0,0|2,0,0]=4 37468 B14R1.882 COCCCCSc1ncccc1N 62a_100000730899_100000688686 [0,2,0,0,0,0|2,0,0]=4 37469 B14R1.882 COCCCCSc1ncccc1O 62a_100000034122_100000730899 [0,2,0,0,0,0|2,0,0]=4 37470 B14R1.882 COCCCCSc1ncccc1O 62a_100000730899_100000034122 [0,2,0,0,0,0|2,0,0]=4 37471 B14R1.882 COCCCNCc1ccccc1Br 207a_100150723488_100000211189 [0,2,0,0,0,0|1,0,0]=3 37472 B14R1.882 COCCCNCc1ccccc1Br 2230a_100000689332_100000740836 [0,2,0,0,0,0|1,0,0]=3 37473 B14R1.882 COCCCNCc1ccccc1Br 270004a_100150723488_100000211189 [0,2,0,0,0,0|1,0,0]=3 37474 B14R1.882 COCCCNCc1ccccc1Br 34a_100000689332_100000740836 [0,2,0,0,0,0|1,0,0]=3 37475 B14R1.882 COCCCNCc1ccccc1Br 34a_100150723488_100000184730 [0,2,0,0,0,0|1,0,0]=3 37476 B14R1.882 COCCCNCc1ccccc1C 207a_100150723488_100000211143 [0,2,0,0,0,0|1,0,0]=3 37477 B14R1.882 COCCCNCc1ccccc1C 270004a_100150723488_100000211143 [0,2,0,0,0,0|1,0,0]=3 37478 B14R1.882 COCCCNCc1ccccc1C 34a_100000174972_100000740836 [0,2,0,0,0,0|1,0,0]=3 37479 B14R1.882 COCCCNCc1ccccc1C 34a_100150723488_100000211839 [0,2,0,0,0,0|1,0,0]=3 37480 B14R1.882 COCCCNCc1ccccc1Cl 207a_100150723488_100000210073 [0,2,0,0,0,0|1,0,0]=3 37481 B14R1.882 COCCCNCc1ccccc1Cl 2230a_100000174879_100000740836 [0,2,0,0,0,0|1,0,0]=3 37482 B14R1.882 COCCCNCc1ccccc1Cl 270004a_100150723488_100000210073 [0,2,0,0,0,0|1,0,0]=3 37483 B14R1.882 COCCCNCc1ccccc1Cl 34a_100000174879_100000740836 [0,2,0,0,0,0|1,0,0]=3 37484 B14R1.882 COCCCNCc1ccccc1Cl 34a_100150723488_100000187162 [0,2,0,0,0,0|1,0,0]=3 37485 B14R1.882 COCCCNCc1ccccc1F 207a_100150723488_100000210811 [0,2,0,0,0,0|1,0,0]=3 37486 B14R1.882 COCCCNCc1ccccc1F 270004a_100150723488_100000210811 [0,2,0,0,0,0|1,0,0]=3 37487 B14R1.882 COCCCNCc1ccccc1F 34a_100000174869_100000740836 [0,2,0,0,0,0|1,0,0]=3 37488 B14R1.882 COCCCNCc1ccccc1F 34a_100150723488_100000211605 [0,2,0,0,0,0|1,0,0]=3 37489 B14R1.882 COCCCNCc1ccccc1I 207a_100150723488_100000010305 [0,2,0,0,0,0|1,0,0]=3 37490 B14R1.882 COCCCNCc1ccccc1I 270004a_100150723488_100000010305 [0,2,0,0,0,0|1,0,0]=3 37491 B14R1.882 COCCCNCc1ccccc1I 34a_100150723488_100011215278 [0,2,0,0,0,0|1,0,0]=3 37492 B14R1.882 COCCCNCc1ccccc1O 34a_100000185550_100000740836 [0,2,0,0,0,0|1,0,0]=3 37493 B14R1.882 COCCCNCc1cccnc1Br 2230a_100009818023_100000740836 [0,2,0,0,0,0|2,0,0]=4 37494 B14R1.882 COCCCNCc1cccnc1Br 34a_100009818023_100000740836 [0,2,0,0,0,0|2,0,0]=4 37495 B14R1.882 COCCCNCc1cccnc1Br 34a_100150723488_100010140945 [0,2,0,0,0,0|2,0,0]=4 37496 B14R1.882 COCCCNCc1cccnc1C 207a_100150723488_100000751968 [0,2,0,0,0,0|2,0,0]=4 37497 B14R1.882 COCCCNCc1cccnc1C 270004a_100150723488_100000751968 [0,2,0,0,0,0|2,0,0]=4 37498 B14R1.882 COCCCNCc1cccnc1C 34a_100150723488_100000732876 [0,2,0,0,0,0|2,0,0]=4 37499 B14R1.882 COCCCNCc1cccnc1Cl 2230a_100015189234_100000740836 [0,2,0,0,0,0|2,0,0]=4 37500 B14R1.882 COCCCNCc1cccnc1Cl 34a_100015189234_100000740836 [0,2,0,0,0,0|2,0,0]=4 37501 B14R1.882 COCCCNCc1cccnc1Cl 34a_100150723488_100000045678 [0,2,0,0,0,0|2,0,0]=4 37502 B14R1.882 COCCCNCc1cccnc1F 34a_100000724633_100000740836 [0,2,0,0,0,0|2,0,0]=4 37503 B14R1.882 COCCCNCc1cccnc1F 34a_100150723488_100000099810 [0,2,0,0,0,0|2,0,0]=4 37504 B14R1.882 COCCCNCc1cccnc1O 207a_100150723488_100011998315 [0,2,0,0,0,0|2,0,0]=4 37505 B14R1.882 COCCCNCc1cccnc1O 270004a_100150723488_100011998315 [0,2,0,0,0,0|2,0,0]=4 37506 B14R1.882 COCCCNCc1ccncc1Br 270004a_100150723488_100000755692 [0,2,0,0,0,0|2,0,0]=4 37507 B14R1.882 COCCCNCc1ccncc1C 34a_100150723488_100020672809 [0,2,0,0,0,0|2,0,0]=4 37508 B14R1.882 COCCCNCc1ccncc1Cl 207a_100150723488_100011934409 [0,2,0,0,0,0|2,0,0]=4 37509 B14R1.882 COCCCNCc1ccncc1Cl 270004a_100150723488_100011934409 [0,2,0,0,0,0|2,0,0]=4 37510 B14R1.882 COCCCNCc1ccncc1F 34a_100011935246_100000740836 [0,2,0,0,0,0|2,0,0]=4 37511 B14R1.882 COCCCNCc1cnccc1Br 270004a_100150723488_100009816821 [0,2,0,0,0,0|2,0,0]=4 37512 B14R1.882 COCCCNCc1cnccc1C 207a_100150723488_100000685662 [0,2,0,0,0,0|2,0,0]=4 37513 B14R1.882 COCCCNCc1cnccc1C 270004a_100150723488_100000685662 [0,2,0,0,0,0|2,0,0]=4 37514 B14R1.882 COCCCNCc1cnccc1C 34a_100150723488_100000690890 [0,2,0,0,0,0|2,0,0]=4 37515 B14R1.882 COCCCNCc1cnccc1Cl 270004a_100150723488_100000050567 [0,2,0,0,0,0|2,0,0]=4 37516 B14R1.882 COCCCNCc1ncccc1Br 207a_100150723488_100011934733 [0,2,0,0,0,0|2,0,0]=4 37517 B14R1.882 COCCCNCc1ncccc1Br 270004a_100150723488_100011934733 [0,2,0,0,0,0|2,0,0]=4 37518 B14R1.882 COCCCNCc1ncccc1Br 34a_100150723488_100025702911 [0,2,0,0,0,0|2,0,0]=4 37519 B14R1.882 COCCCNCc1ncccc1C 207a_100150723488_100000698913 [0,2,0,0,0,0|2,0,0]=4 37520 B14R1.882 COCCCNCc1ncccc1C 270004a_100150723488_100000698913 [0,2,0,0,0,0|2,0,0]=4 37521 B14R1.882 COCCCNCc1ncccc1C 34a_100011223789_100000740836 [0,2,0,0,0,0|2,0,0]=4 37522 B14R1.882 COCCCNCc1ncccc1C 34a_100150723488_100000696600 [0,2,0,0,0,0|2,0,0]=4 37523 B14R1.882 COCCCNCc1ncccc1Cl 207a_100150723488_100012001307 [0,2,0,0,0,0|2,0,0]=4 37524 B14R1.882 COCCCNCc1ncccc1Cl 2230a_100015189233_100000740836 [0,2,0,0,0,0|2,0,0]=4 37525 B14R1.882 COCCCNCc1ncccc1Cl 270004a_100150723488_100012001307 [0,2,0,0,0,0|2,0,0]=4 37526 B14R1.882 COCCCNCc1ncccc1F 207a_100150723488_100011934734 [0,2,0,0,0,0|2,0,0]=4 37527 B14R1.882 COCCCNCc1ncccc1F 270004a_100150723488_100011934734 [0,2,0,0,0,0|2,0,0]=4 37528 B14R1.882 COCCCNCc1ncccc1F 34a_100000690088_100000740836 [0,2,0,0,0,0|2,0,0]=4 37529 B14R1.882 COCCCNCc1ncccc1F 34a_100150723488_100000104219 [0,2,0,0,0,0|2,0,0]=4 37530 B14R1.882 COCCCNCc1ncccc1O 34a_100150723488_200020655725 [0,2,0,0,0,0|2,0,0]=4 37531 B14R1.882 COCCCOCc1ccccc1Br 34a_100000740835_100000184730 [0,2,0,0,0,0|1,0,0]=3 37532 B14R1.882 COCCCOCc1ccccc1Br 34a_100000756307_100000740836 [0,2,0,0,0,0|1,0,0]=3 37533 B14R1.882 COCCCOCc1ccccc1Br 7a_100000756307_100000740836 [0,2,0,0,0,0|1,0,0]=3 37534 B14R1.882 COCCCOCc1ccccc1C 34a_100000698903_100000740836 [0,2,0,0,0,0|1,0,0]=3 37535 B14R1.882 COCCCOCc1ccccc1C 34a_100000740835_100000211839 [0,2,0,0,0,0|1,0,0]=3 37536 B14R1.882 COCCCOCc1ccccc1C 7a_100000698903_100000740836 [0,2,0,0,0,0|1,0,0]=3 37537 B14R1.882 COCCCOCc1ccccc1Cl 34a_100000210847_100000740836 [0,2,0,0,0,0|1,0,0]=3 37538 B14R1.882 COCCCOCc1ccccc1Cl 34a_100000740835_100000187162 [0,2,0,0,0,0|1,0,0]=3 37539 B14R1.882 COCCCOCc1ccccc1Cl 7a_100000210847_100000740836 [0,2,0,0,0,0|1,0,0]=3 37540 B14R1.882 COCCCOCc1ccccc1F 34a_100000211962_100000740836 [0,2,0,0,0,0|1,0,0]=3 37541 B14R1.882 COCCCOCc1ccccc1F 34a_100000740835_100000211605 [0,2,0,0,0,0|1,0,0]=3 37542 B14R1.882 COCCCOCc1ccccc1F 7a_100000211962_100000740836 [0,2,0,0,0,0|1,0,0]=3 37543 B14R1.882 COCCCOCc1ccccc1I 34a_100000187465_100000740836 [0,2,0,0,0,0|1,0,0]=3 37544 B14R1.882 COCCCOCc1ccccc1I 34a_100000740835_100011215278 [0,2,0,0,0,0|1,0,0]=3 37545 B14R1.882 COCCCOCc1ccccc1I 7a_100000187465_100000740836 [0,2,0,0,0,0|1,0,0]=3 37546 B14R1.882 COCCCOCc1ccccc1N 34a_100000212039_100000740836 [0,2,0,0,0,0|1,0,0]=3 37547 B14R1.882 COCCCOCc1cccnc1Br 34a_100000719692_100000740836 [0,2,0,0,0,0|2,0,0]=4 37548 B14R1.882 COCCCOCc1cccnc1Br 34a_100000740835_100010140945 [0,2,0,0,0,0|2,0,0]=4 37549 B14R1.882 COCCCOCc1cccnc1Br 7a_100000719692_100000740836 [0,2,0,0,0,0|2,0,0]=4 37550 B14R1.882 COCCCOCc1cccnc1C 34a_100000729262_100000740836 [0,2,0,0,0,0|2,0,0]=4 37551 B14R1.882 COCCCOCc1cccnc1C 34a_100000740835_100000732876 [0,2,0,0,0,0|2,0,0]=4 37552 B14R1.882 COCCCOCc1cccnc1C 7a_100000729262_100000740836 [0,2,0,0,0,0|2,0,0]=4 37553 B14R1.882 COCCCOCc1cccnc1Cl 34a_100000740835_100000045678 [0,2,0,0,0,0|2,0,0]=4 37554 B14R1.882 COCCCOCc1cccnc1Cl 34a_100000748726_100000740836 [0,2,0,0,0,0|2,0,0]=4 37555 B14R1.882 COCCCOCc1cccnc1Cl 7a_100000748726_100000740836 [0,2,0,0,0,0|2,0,0]=4 37556 B14R1.882 COCCCOCc1cccnc1F 34a_100000079888_100000740836 [0,2,0,0,0,0|2,0,0]=4 37557 B14R1.882 COCCCOCc1cccnc1F 34a_100000740835_100000099810 [0,2,0,0,0,0|2,0,0]=4 37558 B14R1.882 COCCCOCc1cccnc1F 7a_100000079888_100000740836 [0,2,0,0,0,0|2,0,0]=4 37559 B14R1.882 COCCCOCc1ccncc1C 34a_100000740835_100020672809 [0,2,0,0,0,0|2,0,0]=4 37560 B14R1.882 COCCCOCc1ccncc1C 34a_100011997032_100000740836 [0,2,0,0,0,0|2,0,0]=4 37561 B14R1.882 COCCCOCc1ccncc1F 34a_100012172863_100000740836 [0,2,0,0,0,0|2,0,0]=4 37562 B14R1.882 COCCCOCc1cnccc1C 34a_100000740835_100000690890 [0,2,0,0,0,0|2,0,0]=4 37563 B14R1.882 COCCCOCc1cnccc1C 34a_100011996381_100000740836 [0,2,0,0,0,0|2,0,0]=4 37564 B14R1.882 COCCCOCc1cnccc1Cl 34a_100000117392_100000740836 [0,2,0,0,0,0|2,0,0]=4 37565 B14R1.882 COCCCOCc1ncccc1Br 34a_100000740835_100025702911 [0,2,0,0,0,0|2,0,0]=4 37566 B14R1.882 COCCCOCc1ncccc1Br 34a_100011996772_100000740836 [0,2,0,0,0,0|2,0,0]=4 37567 B14R1.882 COCCCOCc1ncccc1C 34a_100000698912_100000740836 [0,2,0,0,0,0|2,0,0]=4 37568 B14R1.882 COCCCOCc1ncccc1C 34a_100000740835_100000696600 [0,2,0,0,0,0|2,0,0]=4 37569 B14R1.882 COCCCOCc1ncccc1Cl 34a_100012002383_100000740836 [0,2,0,0,0,0|2,0,0]=4 37570 B14R1.882 COCCCOCc1ncccc1F 34a_100000740835_100000104219 [0,2,0,0,0,0|2,0,0]=4 37571 B14R1.882 COCCCOCc1ncccc1F 34a_100011934865_100000740836 [0,2,0,0,0,0|2,0,0]=4 37572 B14R1.882 COCCCOCc1ncccc1N 34a_114873767017_100000740836 [0,2,0,0,0,0|2,0,0]=4 37573 B14R1.882 COCCCOCc1ncccc1O 34a_100000740835_200020655725 [0,2,0,0,0,0|2,0,0]=4 37574 B14R1.882 COCCCSCc1ccccc1Br 62a_100000184730_100000709357 [0,2,0,0,0,0|1,0,0]=3 37575 B14R1.882 COCCCSCc1ccccc1Br 62a_100000709357_100000184730 [0,2,0,0,0,0|1,0,0]=3 37576 B14R1.882 COCCCSCc1ccccc1C 62a_100000211839_100000709357 [0,2,0,0,0,0|1,0,0]=3 37577 B14R1.882 COCCCSCc1ccccc1C 62a_100000709357_100000211839 [0,2,0,0,0,0|1,0,0]=3 37578 B14R1.882 COCCCSCc1ccccc1Cl 62a_100000187162_100000709357 [0,2,0,0,0,0|1,0,0]=3 37579 B14R1.882 COCCCSCc1ccccc1Cl 62a_100000709357_100000187162 [0,2,0,0,0,0|1,0,0]=3 37580 B14R1.882 COCCCSCc1ccccc1F 62a_100000211605_100000709357 [0,2,0,0,0,0|1,0,0]=3 37581 B14R1.882 COCCCSCc1ccccc1F 62a_100000709357_100000211605 [0,2,0,0,0,0|1,0,0]=3 37582 B14R1.882 COCCCSCc1ccccc1I 62a_100000709357_100011216222 [0,2,0,0,0,0|1,0,0]=3 37583 B14R1.882 COCCCSCc1ccccc1I 62a_100011216222_100000709357 [0,2,0,0,0,0|1,0,0]=3 37584 B14R1.882 COCCCSCc1cccnc1Br 62a_100000709357_100010140945 [0,2,0,0,0,0|2,0,0]=4 37585 B14R1.882 COCCCSCc1cccnc1Br 62a_100010140945_100000709357 [0,2,0,0,0,0|2,0,0]=4 37586 B14R1.882 COCCCSCc1cccnc1C 62a_100000709357_100000732876 [0,2,0,0,0,0|2,0,0]=4 37587 B14R1.882 COCCCSCc1cccnc1C 62a_100000732876_100000709357 [0,2,0,0,0,0|2,0,0]=4 37588 B14R1.882 COCCCSCc1cccnc1Cl 62a_100000045678_100000709357 [0,2,0,0,0,0|2,0,0]=4 37589 B14R1.882 COCCCSCc1cccnc1Cl 62a_100000709357_100000045678 [0,2,0,0,0,0|2,0,0]=4 37590 B14R1.882 COCCCSCc1cccnc1F 62a_100000099810_100000709357 [0,2,0,0,0,0|2,0,0]=4 37591 B14R1.882 COCCCSCc1cccnc1F 62a_100000709357_100000099810 [0,2,0,0,0,0|2,0,0]=4 37592 B14R1.882 COCCCSCc1ccncc1C 62a_100000709357_100020672808 [0,2,0,0,0,0|2,0,0]=4 37593 B14R1.882 COCCCSCc1ccncc1C 62a_100020672808_100000709357 [0,2,0,0,0,0|2,0,0]=4 37594 B14R1.882 COCCCSCc1ccncc1Cl 62a_100000709357_100000763264 [0,2,0,0,0,0|2,0,0]=4 37595 B14R1.882 COCCCSCc1ccncc1Cl 62a_100000763264_100000709357 [0,2,0,0,0,0|2,0,0]=4 37596 B14R1.882 COCCCSCc1cnccc1C 62a_100000690890_100000709357 [0,2,0,0,0,0|2,0,0]=4 37597 B14R1.882 COCCCSCc1cnccc1C 62a_100000709357_100000690890 [0,2,0,0,0,0|2,0,0]=4 37598 B14R1.882 COCCCSCc1ncccc1Br 62a_100000709357_100025702911 [0,2,0,0,0,0|2,0,0]=4 37599 B14R1.882 COCCCSCc1ncccc1Br 62a_100025702911_100000709357 [0,2,0,0,0,0|2,0,0]=4 37600 B14R1.882 COCCCSCc1ncccc1C 62a_100000696600_100000709357 [0,2,0,0,0,0|2,0,0]=4 37601 B14R1.882 COCCCSCc1ncccc1C 62a_100000709357_100000696600 [0,2,0,0,0,0|2,0,0]=4 37602 B14R1.882 COCCCSCc1ncccc1Cl 62a_100000099807_100000709357 [0,2,0,0,0,0|2,0,0]=4 37603 B14R1.882 COCCCSCc1ncccc1Cl 62a_100000709357_100000099807 [0,2,0,0,0,0|2,0,0]=4 37604 B14R1.882 COCCCSCc1ncccc1F 62a_100000104219_100000709357 [0,2,0,0,0,0|2,0,0]=4 37605 B14R1.882 COCCCSCc1ncccc1F 62a_100000709357_100000104219 [0,2,0,0,0,0|2,0,0]=4 37606 B14R1.882 COCCCSCc1ncccc1O 62a_100000709357_200020655725 [0,2,0,0,0,0|2,0,0]=4 37607 B14R1.882 COCCCSCc1ncccc1O 62a_200020655725_100000709357 [0,2,0,0,0,0|2,0,0]=4 37608 B14R1.882 COCCNCCc1ccccc1Br 2230a_100000209980_100012161201 [0,2,0,0,0,0|1,0,0]=3 37609 B14R1.882 COCCNCCc1ccccc1Br 2230a_100000747383_100011201679 [0,2,0,0,0,0|1,0,0]=3 37610 B14R1.882 COCCNCCc1ccccc1Br 34a_100000747383_100011201679 [0,2,0,0,0,0|1,0,0]=3 37611 B14R1.882 COCCNCCc1ccccc1C 2230a_100000209980_100011713688 [0,2,0,0,0,0|1,0,0]=3 37612 B14R1.882 COCCNCCc1ccccc1C 2230a_100000685071_100011201679 [0,2,0,0,0,0|1,0,0]=3 37613 B14R1.882 COCCNCCc1ccccc1C 34a_100000685071_100011201679 [0,2,0,0,0,0|1,0,0]=3 37614 B14R1.882 COCCNCCc1ccccc1Cl 2230a_100000209980_100011713703 [0,2,0,0,0,0|1,0,0]=3 37615 B14R1.882 COCCNCCc1ccccc1Cl 2230a_100011207228_100011201679 [0,2,0,0,0,0|1,0,0]=3 37616 B14R1.882 COCCNCCc1ccccc1Cl 270004a_100000209980_200011713468 [0,2,0,0,0,0|1,0,0]=3 37617 B14R1.882 COCCNCCc1ccccc1Cl 34a_100011207228_100011201679 [0,2,0,0,0,0|1,0,0]=3 37618 B14R1.882 COCCNCCc1ccccc1F 2230a_100000185272_100011201679 [0,2,0,0,0,0|1,0,0]=3 37619 B14R1.882 COCCNCCc1ccccc1F 2230a_100000209980_100011713696 [0,2,0,0,0,0|1,0,0]=3 37620 B14R1.882 COCCNCCc1ccccc1F 34a_100000185272_100011201679 [0,2,0,0,0,0|1,0,0]=3 37621 B14R1.882 COCCNCCc1ccccc1O 34a_100011207237_100011201679 [0,2,0,0,0,0|1,0,0]=3 37622 B14R1.882 COCCNCCn1ccccc1=O 2230a_100000687133_100011201679 [0,2,0,0,0,0|2,0,0]=4 37623 B14R1.882 COCCOCCc1ccccc1Br 34a_100000210237_100012161201 [0,2,0,0,0,0|1,0,0]=3 37624 B14R1.882 COCCOCCc1ccccc1Br 34a_100000731337_100011201679 [0,2,0,0,0,0|1,0,0]=3 37625 B14R1.882 COCCOCCc1ccccc1Br 7a_100000731337_100000233755 [0,2,0,0,0,0|1,0,0]=3 37626 B14R1.882 COCCOCCc1ccccc1C 34a_100000210237_100011713688 [0,2,0,0,0,0|1,0,0]=3 37627 B14R1.882 COCCOCCc1ccccc1C 34a_100011220023_100011201679 [0,2,0,0,0,0|1,0,0]=3 37628 B14R1.882 COCCOCCc1ccccc1C 7a_100011220023_100000233755 [0,2,0,0,0,0|1,0,0]=3 37629 B14R1.882 COCCOCCc1ccccc1Cl 34a_100000210237_100011713703 [0,2,0,0,0,0|1,0,0]=3 37630 B14R1.882 COCCOCCc1ccccc1Cl 34a_100011215284_100011201679 [0,2,0,0,0,0|1,0,0]=3 37631 B14R1.882 COCCOCCc1ccccc1Cl 7a_100011215284_100000233755 [0,2,0,0,0,0|1,0,0]=3 37632 B14R1.882 COCCOCCc1ccccc1F 34a_100000210237_100000720011 [0,2,0,0,0,0|1,0,0]=3 37633 B14R1.882 COCCOCCc1ccccc1F 34a_100000753711_100011201679 [0,2,0,0,0,0|1,0,0]=3 37634 B14R1.882 COCCOCCc1ccccc1F 7a_100000753711_100000233755 [0,2,0,0,0,0|1,0,0]=3 37635 B14R1.882 COCCOCCc1ccccc1I 34a_100010255290_100011201679 [0,2,0,0,0,0|1,0,0]=3 37636 B14R1.882 COCCOCCc1ccccc1I 7a_100010255290_100000233755 [0,2,0,0,0,0|1,0,0]=3 37637 B14R1.882 COCCOCCc1ccccc1N 34a_100011215289_100011201679 [0,2,0,0,0,0|1,0,0]=3 37638 B14R1.882 COCCOCCc1ccccc1O 34a_100000210237_100000722297 [0,2,0,0,0,0|1,0,0]=3 37639 B14R1.882 COCCOCCc1ncccc1C 34a_100011997706_100011201679 [0,2,0,0,0,0|2,0,0]=4 37640 B14R1.882 COCCOCCc1ncccc1C 7a_100011997706_100000233755 [0,2,0,0,0,0|2,0,0]=4 37641 B14R1.882 COCCOCSc1ccccc1Br 62a_100000231047_100000695589 [0,2,0,0,0,0|2,0,0]=4 37642 B14R1.882 COCCOCSc1ccccc1Br 62a_100000695589_100000231047 [0,2,0,0,0,0|2,0,0]=4 37643 B14R1.882 COCCOCSc1ccccc1C 62a_100000210755_100000231047 [0,2,0,0,0,0|2,0,0]=4 37644 B14R1.882 COCCOCSc1ccccc1C 62a_100000231047_100000210755 [0,2,0,0,0,0|2,0,0]=4 37645 B14R1.882 COCCOCSc1ccccc1Cl 62a_100000231047_100000764095 [0,2,0,0,0,0|2,0,0]=4 37646 B14R1.882 COCCOCSc1ccccc1Cl 62a_100000764095_100000231047 [0,2,0,0,0,0|2,0,0]=4 37647 B14R1.882 COCCOCSc1ccccc1F 62a_100000231047_100011215700 [0,2,0,0,0,0|2,0,0]=4 37648 B14R1.882 COCCOCSc1ccccc1F 62a_100011215700_100000231047 [0,2,0,0,0,0|2,0,0]=4 37649 B14R1.882 COCCOCSc1ccccc1N 62a_100000210017_100000231047 [0,2,0,0,0,0|2,0,0]=4 37650 B14R1.882 COCCOCSc1ccccc1N 62a_100000231047_100000210017 [0,2,0,0,0,0|2,0,0]=4 37651 B14R1.882 COCCOCSc1ccccc1O 62a_100000231047_100000739446 [0,2,0,0,0,0|2,0,0]=4 37652 B14R1.882 COCCOCSc1ccccc1O 62a_100000739446_100000231047 [0,2,0,0,0,0|2,0,0]=4 37653 B14R1.882 COCCSCCc1ccccc1Br 62a_100000233755_100012161201 [0,2,0,0,0,0|1,0,0]=3 37654 B14R1.882 COCCSCCc1ccccc1Br 62a_100012161201_100000233755 [0,2,0,0,0,0|1,0,0]=3 37655 B14R1.882 COCCSCCc1ccccc1C 62a_100000233755_100011713688 [0,2,0,0,0,0|1,0,0]=3 37656 B14R1.882 COCCSCCc1ccccc1C 62a_100011713688_100000233755 [0,2,0,0,0,0|1,0,0]=3 37657 B14R1.882 COCCSCCc1ccccc1Cl 62a_100000233755_100011713703 [0,2,0,0,0,0|1,0,0]=3 37658 B14R1.882 COCCSCCc1ccccc1Cl 62a_100011713703_100000233755 [0,2,0,0,0,0|1,0,0]=3 37659 B14R1.882 COCCSCCc1ccccc1F 62a_100000233755_100011713696 [0,2,0,0,0,0|1,0,0]=3 37660 B14R1.882 COCCSCCc1ccccc1F 62a_100011713696_100000233755 [0,2,0,0,0,0|1,0,0]=3 37661 B14R1.882 COCCSCCc1ccccc1O 62a_100000233755_100000722297 [0,2,0,0,0,0|1,0,0]=3 37662 B14R1.882 COCCSCCc1ccccc1O 62a_100000722297_100000233755 [0,2,0,0,0,0|1,0,0]=3 37663 B14R1.882 COCNCCCc1ccccc1F 2230a_100000724733_100000766300 [0,2,0,0,0,0|1,0,0]=3 37664 B14R1.882 COCNCCOc1ccccc1Br 2230a_100000744007_100000766300 [0,2,0,0,0,0|2,0,0]=4 37665 B14R1.882 COCNCCOc1ccccc1C 2230a_100000743344_100000766300 [0,2,0,0,0,0|2,0,0]=4 37666 B14R1.882 COCNCCOc1ccccc1Cl 2230a_100000174932_100000766300 [0,2,0,0,0,0|2,0,0]=4 37667 B14R1.882 COCNCCOc1ccccc1F 2230a_100000683764_100000766300 [0,2,0,0,0,0|2,0,0]=4 37668 B14R1.882 COCSCCCc1ccccc1Br 62a_100000766300_200011713681 [0,2,0,0,0,0|1,0,0]=3 37669 B14R1.882 COCSCCCc1ccccc1Br 62a_200011713681_100000766300 [0,2,0,0,0,0|1,0,0]=3 37670 B14R1.882 COCSCCOc1ccccc1Br 62a_100000695877_100000766300 [0,2,0,0,0,0|2,0,0]=4 37671 B14R1.882 COCSCCOc1ccccc1Br 62a_100000766300_100000695877 [0,2,0,0,0,0|2,0,0]=4 37672 B14R1.882 COCSCCOc1ccccc1C 62a_100000184434_100000766300 [0,2,0,0,0,0|2,0,0]=4 37673 B14R1.882 COCSCCOc1ccccc1C 62a_100000766300_100000184434 [0,2,0,0,0,0|2,0,0]=4 37674 B14R1.882 COCSCCOc1ccccc1F 62a_100000183290_100000766300 [0,2,0,0,0,0|2,0,0]=4 37675 B14R1.882 COCSCCOc1ccccc1F 62a_100000766300_100000183290 [0,2,0,0,0,0|2,0,0]=4 37676 B14R1.882 CSCCCNCc1ccccc1Br 207a_100000749238_100000211189 [0,2,0,0,0,0|1,1,0]=4 37677 B14R1.882 CSCCCNCc1ccccc1Br 2230a_100000749238_100000184730 [0,2,0,0,0,0|1,1,0]=4 37678 B14R1.882 CSCCCNCc1ccccc1Br 270004a_100000749238_100000211189 [0,2,0,0,0,0|1,1,0]=4 37679 B14R1.882 CSCCCNCc1ccccc1C 207a_100000749238_100000211143 [0,2,0,0,0,0|1,1,0]=4 37680 B14R1.882 CSCCCNCc1ccccc1C 2230a_100000749238_100000211839 [0,2,0,0,0,0|1,1,0]=4 37681 B14R1.882 CSCCCNCc1ccccc1C 270004a_100000749238_100000211143 [0,2,0,0,0,0|1,1,0]=4 37682 B14R1.882 CSCCCNCc1ccccc1Cl 207a_100000749238_100000210073 [0,2,0,0,0,0|1,1,0]=4 37683 B14R1.882 CSCCCNCc1ccccc1Cl 2230a_100000749238_100000187162 [0,2,0,0,0,0|1,1,0]=4 37684 B14R1.882 CSCCCNCc1ccccc1Cl 270004a_100000749238_100000210073 [0,2,0,0,0,0|1,1,0]=4 37685 B14R1.882 CSCCCNCc1ccccc1F 207a_100000749238_100000210811 [0,2,0,0,0,0|1,1,0]=4 37686 B14R1.882 CSCCCNCc1ccccc1F 2230a_100000749238_100000211605 [0,2,0,0,0,0|1,1,0]=4 37687 B14R1.882 CSCCCNCc1ccccc1F 270004a_100000749238_100000210811 [0,2,0,0,0,0|1,1,0]=4 37688 B14R1.882 CSCCCNCc1ccccc1I 207a_100000749238_100000010305 [0,2,0,0,0,0|1,1,0]=4 37689 B14R1.882 CSCCCNCc1ccccc1I 2230a_100000749238_100011215278 [0,2,0,0,0,0|1,1,0]=4 37690 B14R1.882 CSCCCNCc1ccccc1I 270004a_100000749238_100000010305 [0,2,0,0,0,0|1,1,0]=4 37691 B14R1.882 CSCCCOCc1ccccc1Br 34a_100000690336_100000184730 [0,2,0,0,0,0|1,1,0]=4 37692 B14R1.882 CSCCCOCc1ccccc1Br 7a_100000690336_100000184730 [0,2,0,0,0,0|1,1,0]=4 37693 B14R1.882 CSCCCOCc1ccccc1C 34a_100000690336_100000211839 [0,2,0,0,0,0|1,1,0]=4 37694 B14R1.882 CSCCCOCc1ccccc1C 7a_100000690336_100000211839 [0,2,0,0,0,0|1,1,0]=4 37695 B14R1.882 CSCCCOCc1ccccc1Cl 34a_100000690336_100000187162 [0,2,0,0,0,0|1,1,0]=4 37696 B14R1.882 CSCCCOCc1ccccc1Cl 7a_100000690336_100000187162 [0,2,0,0,0,0|1,1,0]=4 37697 B14R1.882 CSCCCOCc1ccccc1F 34a_100000690336_100000211605 [0,2,0,0,0,0|1,1,0]=4 37698 B14R1.882 CSCCCOCc1ccccc1F 7a_100000690336_100000211605 [0,2,0,0,0,0|1,1,0]=4 37699 B14R1.882 CSCCCOCc1ccccc1I 34a_100000690336_100011215278 [0,2,0,0,0,0|1,1,0]=4 37700 B14R1.882 CSCCCOCc1ccccc1I 7a_100000690336_100011215278 [0,2,0,0,0,0|1,1,0]=4 37701 B14R1.882 CSCCNCCc1ccccc1Br 2230a_100000747383_100000751147 [0,2,0,0,0,0|1,1,0]=4 37702 B14R1.882 CSCCNCCc1ccccc1Br 2230a_100020590264_100012161201 [0,2,0,0,0,0|1,1,0]=4 37703 B14R1.882 CSCCNCCc1ccccc1Br 34a_100000747383_100000212216 [0,2,0,0,0,0|1,1,0]=4 37704 B14R1.882 CSCCNCCc1ccccc1C 2230a_100000685071_100000751147 [0,2,0,0,0,0|1,1,0]=4 37705 B14R1.882 CSCCNCCc1ccccc1C 2230a_100020590264_100011713688 [0,2,0,0,0,0|1,1,0]=4 37706 B14R1.882 CSCCNCCc1ccccc1C 34a_100000685071_100000212216 [0,2,0,0,0,0|1,1,0]=4 37707 B14R1.882 CSCCNCCc1ccccc1Cl 2230a_100011207228_100000751147 [0,2,0,0,0,0|1,1,0]=4 37708 B14R1.882 CSCCNCCc1ccccc1Cl 2230a_100020590264_100011713703 [0,2,0,0,0,0|1,1,0]=4 37709 B14R1.882 CSCCNCCc1ccccc1Cl 270004a_100020590264_200011713468 [0,2,0,0,0,0|1,1,0]=4 37710 B14R1.882 CSCCNCCc1ccccc1Cl 34a_100011207228_100000212216 [0,2,0,0,0,0|1,1,0]=4 37711 B14R1.882 CSCCNCCc1ccccc1F 2230a_100000185272_100000751147 [0,2,0,0,0,0|1,1,0]=4 37712 B14R1.882 CSCCNCCc1ccccc1F 2230a_100020590264_100011713696 [0,2,0,0,0,0|1,1,0]=4 37713 B14R1.882 CSCCNCCc1ccccc1F 34a_100000185272_100000212216 [0,2,0,0,0,0|1,1,0]=4 37714 B14R1.882 CSCCNCCc1ccccc1O 34a_100011207237_100000212216 [0,2,0,0,0,0|1,1,0]=4 37715 B14R1.882 CSCCOCCc1ccccc1Br 34a_100000230434_100012161201 [0,2,0,0,0,0|1,1,0]=4 37716 B14R1.882 CSCCOCCc1ccccc1Br 34a_100000731337_100000212216 [0,2,0,0,0,0|1,1,0]=4 37717 B14R1.882 CSCCOCCc1ccccc1Br 7a_100000230434_100012161201 [0,2,0,0,0,0|1,1,0]=4 37718 B14R1.882 CSCCOCCc1ccccc1Br 7a_100000731337_100000212216 [0,2,0,0,0,0|1,1,0]=4 37719 B14R1.882 CSCCOCCc1ccccc1C 34a_100000230434_100011713688 [0,2,0,0,0,0|1,1,0]=4 37720 B14R1.882 CSCCOCCc1ccccc1C 34a_100011220023_100000212216 [0,2,0,0,0,0|1,1,0]=4 37721 B14R1.882 CSCCOCCc1ccccc1C 7a_100000230434_100011713688 [0,2,0,0,0,0|1,1,0]=4 37722 B14R1.882 CSCCOCCc1ccccc1C 7a_100011220023_100000212216 [0,2,0,0,0,0|1,1,0]=4 37723 B14R1.882 CSCCOCCc1ccccc1Cl 34a_100000230434_100011713703 [0,2,0,0,0,0|1,1,0]=4 37724 B14R1.882 CSCCOCCc1ccccc1Cl 34a_100011215284_100000212216 [0,2,0,0,0,0|1,1,0]=4 37725 B14R1.882 CSCCOCCc1ccccc1Cl 7a_100000230434_100011713703 [0,2,0,0,0,0|1,1,0]=4 37726 B14R1.882 CSCCOCCc1ccccc1Cl 7a_100011215284_100000212216 [0,2,0,0,0,0|1,1,0]=4 37727 B14R1.882 CSCCOCCc1ccccc1F 34a_100000230434_100000720011 [0,2,0,0,0,0|1,1,0]=4 37728 B14R1.882 CSCCOCCc1ccccc1F 34a_100000753711_100000212216 [0,2,0,0,0,0|1,1,0]=4 37729 B14R1.882 CSCCOCCc1ccccc1F 7a_100000230434_100000720011 [0,2,0,0,0,0|1,1,0]=4 37730 B14R1.882 CSCCOCCc1ccccc1F 7a_100000753711_100000212216 [0,2,0,0,0,0|1,1,0]=4 37731 B14R1.882 CSCCOCCc1ccccc1I 34a_100010255290_100000212216 [0,2,0,0,0,0|1,1,0]=4 37732 B14R1.882 CSCCOCCc1ccccc1I 7a_100010255290_100000212216 [0,2,0,0,0,0|1,1,0]=4 37733 B14R1.882 CSCCOCCc1ccccc1N 34a_100011215289_100000212216 [0,2,0,0,0,0|1,1,0]=4 37734 B14R1.882 CSCCOCCc1ccccc1O 34a_100000230434_100000722297 [0,2,0,0,0,0|1,1,0]=4 37735 B14R1.882 CSCCOCCc1ccccc1O 7a_100000230434_100000722297 [0,2,0,0,0,0|1,1,0]=4 37736 B14R1.882 CSCCSCCc1ccccc1Br 62a_100000212216_100012161201 [0,2,0,0,0,0|1,1,0]=4 37737 B14R1.882 CSCCSCCc1ccccc1Br 62a_100012161201_100000751147 [0,2,0,0,0,0|1,1,0]=4 37738 B14R1.882 CSCCSCCc1ccccc1C 62a_100000212216_100011713688 [0,2,0,0,0,0|1,1,0]=4 37739 B14R1.882 CSCCSCCc1ccccc1C 62a_100011713688_100000751147 [0,2,0,0,0,0|1,1,0]=4 37740 B14R1.882 CSCCSCCc1ccccc1Cl 62a_100000212216_100011713703 [0,2,0,0,0,0|1,1,0]=4 37741 B14R1.882 CSCCSCCc1ccccc1Cl 62a_100011713703_100000751147 [0,2,0,0,0,0|1,1,0]=4 37742 B14R1.882 CSCCSCCc1ccccc1F 62a_100000212216_100011713696 [0,2,0,0,0,0|1,1,0]=4 37743 B14R1.882 CSCCSCCc1ccccc1F 62a_100011713696_100000751147 [0,2,0,0,0,0|1,1,0]=4 37744 B14R1.882 CSCCSCCc1ccccc1O 62a_100000212216_100000722297 [0,2,0,0,0,0|1,1,0]=4 37745 B14R1.882 CSCCSCCc1ccccc1O 62a_100000722297_100000751147 [0,2,0,0,0,0|1,1,0]=4 37746 B14R1.882 CSCNCCCc1ccccc1F 2230a_100000724733_100011218213 [0,2,0,0,0,0|1,1,0]=4 37747 B14R1.882 CSCNCCCc1ccccc1F 34a_100000724733_100011218213 [0,2,0,0,0,0|1,1,0]=4 37748 B14R1.882 CSCOCCCc1ccccc1Br 34a_100000699526_100011218213 [0,2,0,0,0,0|1,1,0]=4 37749 B14R1.882 CSCOCCCc1ccccc1Cl 34a_100011709251_100011218213 [0,2,0,0,0,0|1,1,0]=4 37750 B14R1.882 CSCOCCCc1ccccc1F 34a_100011709249_100011218213 [0,2,0,0,0,0|1,1,0]=4 37751 B14R1.882 CSCSCCCc1ccccc1Br 62a_100011218213_200011713681 [0,2,0,0,0,0|1,1,0]=4 37752 B14R1.882 CSCSCCCc1ccccc1Br 62a_200011713681_100011218213 [0,2,0,0,0,0|1,1,0]=4 37753 B14R1.882 C[n+]1ccccc1SCCCCCF 62a_100000729378_100000212160 [0,2,0,0,0,0|2,0,0]=4 37754 B14R1.882 C[n+]1ccccc1SCCCCCO 62a_100000746330_100000212160 [0,2,0,0,0,0|1,0,0]=3 37755 B14R1.882 C[n+]1ccccc1SCCOCCO 62a_100011215305_100000212160 [0,2,0,0,0,0|2,0,0]=4 37756 B14R1.882 Cc1ccccc1C#CCOCCO 34a_200011352491_100000211926 [0,2,0,0,0,0|0,0,2]=4 37757 B14R1.882 Cc1ccccc1C#CCOCCO 7a_200011352491_100000211926 [0,2,0,0,0,0|0,0,2]=4 37758 B14R1.882 Cc1ccccc1CCNCCC#N 2230a_100000685071_100011215226 [0,2,0,0,0,0|1,0,1]=4 37759 B14R1.882 Cc1ccccc1CCNCCCF 2230a_100000685071_100011934791 [0,2,0,0,0,0|1,0,0]=3 37760 B14R1.882 Cc1ccccc1CCNCCCF 2230a_100015189416_100011713688 [0,2,0,0,0,0|1,0,0]=3 37761 B14R1.882 Cc1ccccc1CCNCCCF 34a_100000685071_100011934791 [0,2,0,0,0,0|1,0,0]=3 37762 B14R1.882 Cc1ccccc1CCNCCCF 34a_100015189416_100011713688 [0,2,0,0,0,0|1,0,0]=3 37763 B14R1.882 Cc1ccccc1CCNCCCO 2230a_100000685071_100000230001 [0,2,0,0,0,0|0,0,0]=2 37764 B14R1.882 Cc1ccccc1CCNCCCO 34a_100000685071_100000230001 [0,2,0,0,0,0|0,0,0]=2 37765 B14R1.882 Cc1ccccc1CCOCCC#N 7a_100011220023_100000184422 [0,2,0,0,0,0|1,0,1]=4 37766 B14R1.882 Cc1ccccc1CCOCCCBr 34a_100011217188_100011713688 [0,2,0,0,0,0|1,0,0]=3 37767 B14R1.882 Cc1ccccc1CCOCCCCl 34a_100000230001_100011713688 [0,2,0,0,0,0|1,0,0]=3 37768 B14R1.882 Cc1ccccc1CCOCCCF 34a_100000759539_100011713688 [0,2,0,0,0,0|1,0,0]=3 37769 B14R1.882 Cc1ccccc1CCOCCCF 34a_100011220023_100011934791 [0,2,0,0,0,0|1,0,0]=3 37770 B14R1.882 Cc1ccccc1CCOCCCF 7a_100011220023_100011934791 [0,2,0,0,0,0|1,0,0]=3 37771 B14R1.882 Cc1ccccc1CCOCCCN 34a_100000182051_100011713688 [0,2,0,0,0,0|1,0,0]=3 37772 B14R1.882 Cc1ccccc1CCOCCCO 34a_100011220023_100000230001 [0,2,0,0,0,0|0,0,0]=2 37773 B14R1.882 Cc1ccccc1CCOCCCO 7a_100011220023_100011215043 [0,2,0,0,0,0|0,0,0]=2 37774 B14R1.882 Cc1ccccc1CCOCCON 34a_100000700252_100011713688 [0,2,0,0,0,0|1,0,0]=3 37775 B14R1.882 Cc1ccccc1CCSCCC#N 62a_100011215226_100011713688 [0,2,0,0,0,0|1,0,1]=4 37776 B14R1.882 Cc1ccccc1CCSCCC#N 62a_100011713688_100011215226 [0,2,0,0,0,0|1,0,1]=4 37777 B14R1.882 Cc1ccccc1CCSCCCF 62a_100011713688_100011934791 [0,2,0,0,0,0|1,0,0]=3 37778 B14R1.882 Cc1ccccc1CCSCCCF 62a_100011934791_100011713688 [0,2,0,0,0,0|1,0,0]=3 37779 B14R1.882 Cc1ccccc1CCSCCCO 62a_100011215043_100011713688 [0,2,0,0,0,0|0,0,0]=2 37780 B14R1.882 Cc1ccccc1CCSCCCO 62a_100011713688_100011215043 [0,2,0,0,0,0|0,0,0]=2 37781 B14R1.882 Cc1ccccc1CNCC#CCO 34a_100000174972_200000047223 [0,2,0,0,0,0|0,0,2]=4 37782 B14R1.882 Cc1ccccc1CNCCCCF 34a_100000174972_100000729493 [0,2,0,0,0,0|1,0,0]=3 37783 B14R1.882 Cc1ccccc1CNCCCCO 207a_100000750430_100000211143 [0,2,0,0,0,0|0,0,0]=2 37784 B14R1.882 Cc1ccccc1CNCCCCO 2230a_100000750430_100000211839 [0,2,0,0,0,0|0,0,0]=2 37785 B14R1.882 Cc1ccccc1CNCCCCO 270004a_100000750430_100000211143 [0,2,0,0,0,0|0,0,0]=2 37786 B14R1.882 Cc1ccccc1CNCCCCO 34a_100000174972_100011216708 [0,2,0,0,0,0|0,0,0]=2 37787 B14R1.882 Cc1ccccc1CNCCCCO 34a_100000750430_100000211839 [0,2,0,0,0,0|0,0,0]=2 37788 B14R1.882 Cc1ccccc1COCC#CCO 34a_100000698903_200000047223 [0,2,0,0,0,0|0,0,2]=4 37789 B14R1.882 Cc1ccccc1COCC#CCO 7a_100000698903_200000047223 [0,2,0,0,0,0|0,0,2]=4 37790 B14R1.882 Cc1ccccc1COCCCC#N 7a_100000698903_100000687738 [0,2,0,0,0,0|1,0,1]=4 37791 B14R1.882 Cc1ccccc1COCCCC=O 7a_100000698903_200011292268 [0,2,0,0,0,0|0,0,2]=4 37792 B14R1.882 Cc1ccccc1COCCCCBr 34a_100011216708_100000211839 [0,2,0,0,0,0|1,0,0]=3 37793 B14R1.882 Cc1ccccc1COCCCCCl 34a_100000210776_100000211839 [0,2,0,0,0,0|1,0,0]=3 37794 B14R1.882 Cc1ccccc1COCCCCCl 7a_100000210776_100000211839 [0,2,0,0,0,0|1,0,0]=3 37795 B14R1.882 Cc1ccccc1COCCCCF 34a_100000698903_100000729493 [0,2,0,0,0,0|1,0,0]=3 37796 B14R1.882 Cc1ccccc1COCCCCF 34a_100011995726_100000211839 [0,2,0,0,0,0|1,0,0]=3 37797 B14R1.882 Cc1ccccc1COCCCCF 7a_100000698903_100000729493 [0,2,0,0,0,0|1,0,0]=3 37798 B14R1.882 Cc1ccccc1COCCCCF 7a_100011995726_100000211839 [0,2,0,0,0,0|1,0,0]=3 37799 B14R1.882 Cc1ccccc1COCCCCI 34a_200012148704_100000211839 [0,2,0,0,0,0|1,0,0]=3 37800 B14R1.882 Cc1ccccc1COCCCCN 34a_100000750430_100000211839 [0,2,0,0,0,0|1,0,0]=3 37801 B14R1.882 Cc1ccccc1COCCCCO 34a_100000698903_100011216708 [0,2,0,0,0,0|0,0,0]=2 37802 B14R1.882 Cc1ccccc1COCCCCO 7a_100000698903_100000210776 [0,2,0,0,0,0|0,0,0]=2 37803 B14R1.882 Cc1ccccc1CSCC#CCO 62a_100000211839_200000047223 [0,2,0,0,0,0|0,0,2]=4 37804 B14R1.882 Cc1ccccc1CSCC#CCO 62a_200000047223_100000211839 [0,2,0,0,0,0|0,0,2]=4 37805 B14R1.882 Cc1ccccc1CSCCCC#N 62a_100000211839_100000687738 [0,2,0,0,0,0|1,0,1]=4 37806 B14R1.882 Cc1ccccc1CSCCCC#N 62a_100000687738_100000211839 [0,2,0,0,0,0|1,0,1]=4 37807 B14R1.882 Cc1ccccc1CSCCCC=O 62a_100000211839_200011292268 [0,2,0,0,0,0|0,0,2]=4 37808 B14R1.882 Cc1ccccc1CSCCCC=O 62a_200011292268_100000211839 [0,2,0,0,0,0|0,0,2]=4 37809 B14R1.882 Cc1ccccc1CSCCCCF 62a_100000211839_100000729493 [0,2,0,0,0,0|1,0,0]=3 37810 B14R1.882 Cc1ccccc1CSCCCCF 62a_100000729493_100000211839 [0,2,0,0,0,0|1,0,0]=3 37811 B14R1.882 Cc1ccccc1CSCCCCO 62a_100000210776_100000211839 [0,2,0,0,0,0|0,0,0]=2 37812 B14R1.882 Cc1ccccc1CSCCCCO 62a_100000211839_100000210776 [0,2,0,0,0,0|0,0,0]=2 37813 B14R1.882 Cc1ccccc1CSCCCN[13CH3] 2230a_100000189570_200025704644 [0,2,0,0,0,0|2,0,0]=4 37814 B14R1.882 Cc1ccccc1CSCCCN[13CH3] 34a_100000189570_200025704644 [0,2,0,0,0,0|2,0,0]=4 37815 B14R1.882 Cc1ccccc1CSCCCN[13CH3] 7a_100000189570_200025704644 [0,2,0,0,0,0|2,0,0]=4 37816 B14R1.882 Cc1ccccc1CSCCNCF 34a_200000189569_100015361967 [0,2,0,0,0,0|2,0,0]=4 37817 B14R1.882 Cc1ccccc1CSCCNCF 7a_200000189569_100015361967 [0,2,0,0,0,0|2,0,0]=4 37818 B14R1.882 Cc1ccccc1NCCCCCF 34a_100015192222_100000729378 [0,2,0,0,0,0|1,0,0]=3 37819 B14R1.882 Cc1ccccc1NCCCCCO 34a_100015192222_100000746330 [0,2,0,0,0,0|0,0,0]=2 37820 B14R1.882 Cc1ccccc1NCCOCCF 34a_100011233185_100011217306 [0,2,0,0,0,0|2,0,0]=4 37821 B14R1.882 Cc1ccccc1NCCOCCO 34a_100011233185_100000211926 [0,2,0,0,0,0|1,0,0]=3 37822 B14R1.882 Cc1ccccc1NCCOCCO 34a_100015192222_100000692535 [0,2,0,0,0,0|1,0,0]=3 37823 B14R1.882 Cc1ccccc1OCCCCC#N 7a_100000210338_100000211819 [0,2,0,0,0,0|1,0,1]=4 37824 B14R1.882 Cc1ccccc1OCCCCC=O 7a_100000210338_100000139335 [0,2,0,0,0,0|0,0,2]=4 37825 B14R1.882 Cc1ccccc1OCCCCCF 34a_100000210338_100000729378 [0,2,0,0,0,0|1,0,0]=3 37826 B14R1.882 Cc1ccccc1OCCCCCF 7a_100000210338_100000729378 [0,2,0,0,0,0|1,0,0]=3 37827 B14R1.882 Cc1ccccc1OCCCCCO 34a_100000210338_100000746330 [0,2,0,0,0,0|0,0,0]=2 37828 B14R1.882 Cc1ccccc1OCCCCCO 7a_100000210338_100000746330 [0,2,0,0,0,0|0,0,0]=2 37829 B14R1.882 Cc1ccccc1OCCCNCF 34a_106633784460_100015361967 [0,2,0,0,0,0|2,0,0]=4 37830 B14R1.882 Cc1ccccc1OCCCSCF 62a_100000742659_100015361967 [0,2,0,0,0,0|2,0,0]=4 37831 B14R1.882 Cc1ccccc1OCCCSCF 62a_100015361967_100000742659 [0,2,0,0,0,0|2,0,0]=4 37832 B14R1.882 Cc1ccccc1OCCNCCF 2230a_100000743344_100011217306 [0,2,0,0,0,0|2,0,0]=4 37833 B14R1.882 Cc1ccccc1OCCNCCF 34a_100000724931_100000184434 [0,2,0,0,0,0|2,0,0]=4 37834 B14R1.882 Cc1ccccc1OCCNCCF 34a_100000743344_100011217306 [0,2,0,0,0,0|2,0,0]=4 37835 B14R1.882 Cc1ccccc1OCCNCCO 2230a_100000743344_100000211926 [0,2,0,0,0,0|1,0,0]=3 37836 B14R1.882 Cc1ccccc1OCCNCCO 2230a_100016997473_100000184434 [0,2,0,0,0,0|1,0,0]=3 37837 B14R1.882 Cc1ccccc1OCCNCCO 34a_100000743344_100000211926 [0,2,0,0,0,0|1,0,0]=3 37838 B14R1.882 Cc1ccccc1OCCNCCO 34a_100016990907_100000184434 [0,2,0,0,0,0|1,0,0]=3 37839 B14R1.882 Cc1ccccc1OCCOCCBr 34a_100000211926_100000184434 [0,2,0,0,0,0|2,0,0]=4 37840 B14R1.882 Cc1ccccc1OCCOCCN 34a_100000210304_100000184434 [0,2,0,0,0,0|2,0,0]=4 37841 B14R1.882 Cc1ccccc1OCCOCCO 34a_100000210338_100000692535 [0,2,0,0,0,0|1,0,0]=3 37842 B14R1.882 Cc1ccccc1OCCOCCO 7a_100000210338_100011215305 [0,2,0,0,0,0|1,0,0]=3 37843 B14R1.882 Cc1ccccc1OCCSCCF 62a_100000184434_100011217306 [0,2,0,0,0,0|2,0,0]=4 37844 B14R1.882 Cc1ccccc1OCCSCCF 62a_100011217306_100000184434 [0,2,0,0,0,0|2,0,0]=4 37845 B14R1.882 Cc1ccccc1OCCSCCO 62a_100000184434_100000211926 [0,2,0,0,0,0|1,0,0]=3 37846 B14R1.882 Cc1ccccc1OCCSCCO 62a_100000211926_100000184434 [0,2,0,0,0,0|1,0,0]=3 37847 B14R1.882 Cc1ccccc1SCCCCC#N 62a_100000210755_100000211819 [0,2,0,0,0,0|1,0,1]=4 37848 B14R1.882 Cc1ccccc1SCCCCC#N 62a_100011219923_100000210755 [0,2,0,0,0,0|1,0,1]=4 37849 B14R1.882 Cc1ccccc1SCCCCC=O 62a_100000139335_100000210755 [0,2,0,0,0,0|0,0,2]=4 37850 B14R1.882 Cc1ccccc1SCCCCC=O 62a_100000210755_100000139335 [0,2,0,0,0,0|0,0,2]=4 37851 B14R1.882 Cc1ccccc1SCCCCCF 62a_100000210755_100000729378 [0,2,0,0,0,0|1,0,0]=3 37852 B14R1.882 Cc1ccccc1SCCCCCF 62a_100000729378_100000210755 [0,2,0,0,0,0|1,0,0]=3 37853 B14R1.882 Cc1ccccc1SCCCCCO 62a_100000210755_100000746330 [0,2,0,0,0,0|0,0,0]=2 37854 B14R1.882 Cc1ccccc1SCCCCCO 62a_100000746330_100000210755 [0,2,0,0,0,0|0,0,0]=2 37855 B14R1.882 Cc1ccccc1SCCOCCO 62a_100000210755_100011215305 [0,2,0,0,0,0|1,0,0]=3 37856 B14R1.882 Cc1ccccc1SCCOCCO 62a_100011215305_100000210755 [0,2,0,0,0,0|1,0,0]=3 37857 B14R1.882 Cc1cccnc1CCOCCCF 34a_100011997706_100011934791 [0,2,0,0,0,0|2,0,0]=4 37858 B14R1.882 Cc1cccnc1CCOCCCF 7a_100011997706_100011934791 [0,2,0,0,0,0|2,0,0]=4 37859 B14R1.882 Cc1cccnc1CCOCCCO 34a_100011997706_100000230001 [0,2,0,0,0,0|1,0,0]=3 37860 B14R1.882 Cc1cccnc1CCOCCCO 7a_100011997706_100011215043 [0,2,0,0,0,0|1,0,0]=3 37861 B14R1.882 Cc1cccnc1CNCCCCF 34a_100011223789_100000729493 [0,2,0,0,0,0|2,0,0]=4 37862 B14R1.882 Cc1cccnc1CNCCCCO 207a_100000750430_100000698913 [0,2,0,0,0,0|1,0,0]=3 37863 B14R1.882 Cc1cccnc1CNCCCCO 2230a_100000750430_100000696600 [0,2,0,0,0,0|1,0,0]=3 37864 B14R1.882 Cc1cccnc1CNCCCCO 270004a_100000750430_100000698913 [0,2,0,0,0,0|1,0,0]=3 37865 B14R1.882 Cc1cccnc1CNCCCCO 34a_100000750430_100000696600 [0,2,0,0,0,0|1,0,0]=3 37866 B14R1.882 Cc1cccnc1CNCCCCO 34a_100011223789_100011216708 [0,2,0,0,0,0|1,0,0]=3 37867 B14R1.882 Cc1cccnc1COCCCCBr 34a_100011216708_100000696600 [0,2,0,0,0,0|2,0,0]=4 37868 B14R1.882 Cc1cccnc1COCCCCCl 34a_100000210776_100000696600 [0,2,0,0,0,0|2,0,0]=4 37869 B14R1.882 Cc1cccnc1COCCCCCl 7a_100000210776_100000696600 [0,2,0,0,0,0|2,0,0]=4 37870 B14R1.882 Cc1cccnc1COCCCCF 34a_100000698912_100000729493 [0,2,0,0,0,0|2,0,0]=4 37871 B14R1.882 Cc1cccnc1COCCCCF 34a_100011995726_100000696600 [0,2,0,0,0,0|2,0,0]=4 37872 B14R1.882 Cc1cccnc1COCCCCF 7a_100011995726_100000696600 [0,2,0,0,0,0|2,0,0]=4 37873 B14R1.882 Cc1cccnc1COCCCCI 34a_200012148704_100000696600 [0,2,0,0,0,0|2,0,0]=4 37874 B14R1.882 Cc1cccnc1COCCCCN 34a_100000750430_100000696600 [0,2,0,0,0,0|2,0,0]=4 37875 B14R1.882 Cc1cccnc1COCCCCO 34a_100000698912_100011216708 [0,2,0,0,0,0|1,0,0]=3 37876 B14R1.882 Cc1cccnc1CSCCCCF 62a_100000696600_100000729493 [0,2,0,0,0,0|2,0,0]=4 37877 B14R1.882 Cc1cccnc1CSCCCCF 62a_100000729493_100000696600 [0,2,0,0,0,0|2,0,0]=4 37878 B14R1.882 Cc1cccnc1CSCCCCO 62a_100000210776_100000696600 [0,2,0,0,0,0|1,0,0]=3 37879 B14R1.882 Cc1cccnc1CSCCCCO 62a_100000696600_100000210776 [0,2,0,0,0,0|1,0,0]=3 37880 B14R1.882 Cc1cccnc1SCCCCCF 62a_100000729378_100000751373 [0,2,0,0,0,0|2,0,0]=4 37881 B14R1.882 Cc1cccnc1SCCCCCF 62a_100000751373_100000729378 [0,2,0,0,0,0|2,0,0]=4 37882 B14R1.882 Cc1cccnc1SCCCCCO 62a_100000746330_100000751373 [0,2,0,0,0,0|1,0,0]=3 37883 B14R1.882 Cc1cccnc1SCCCCCO 62a_100000751373_100000746330 [0,2,0,0,0,0|1,0,0]=3 37884 B14R1.882 Cc1cccnc1SCCOCCO 62a_100000751373_100011215305 [0,2,0,0,0,0|2,0,0]=4 37885 B14R1.882 Cc1cccnc1SCCOCCO 62a_100011215305_100000751373 [0,2,0,0,0,0|2,0,0]=4 37886 B14R1.882 Cc1ccncc1CNCCCCO 207a_100000750430_100000685662 [0,2,0,0,0,0|1,0,0]=3 37887 B14R1.882 Cc1ccncc1CNCCCCO 2230a_100000750430_100000690890 [0,2,0,0,0,0|1,0,0]=3 37888 B14R1.882 Cc1ccncc1CNCCCCO 270004a_100000750430_100000685662 [0,2,0,0,0,0|1,0,0]=3 37889 B14R1.882 Cc1ccncc1CNCCCCO 34a_100000750430_100000690890 [0,2,0,0,0,0|1,0,0]=3 37890 B14R1.882 Cc1ccncc1COCCCCBr 34a_100011216708_100000690890 [0,2,0,0,0,0|2,0,0]=4 37891 B14R1.882 Cc1ccncc1COCCCCCl 34a_100000210776_100000690890 [0,2,0,0,0,0|2,0,0]=4 37892 B14R1.882 Cc1ccncc1COCCCCCl 7a_100000210776_100000690890 [0,2,0,0,0,0|2,0,0]=4 37893 B14R1.882 Cc1ccncc1COCCCCF 34a_100011995726_100000690890 [0,2,0,0,0,0|2,0,0]=4 37894 B14R1.882 Cc1ccncc1COCCCCF 34a_100011996381_100000729493 [0,2,0,0,0,0|2,0,0]=4 37895 B14R1.882 Cc1ccncc1COCCCCF 7a_100011995726_100000690890 [0,2,0,0,0,0|2,0,0]=4 37896 B14R1.882 Cc1ccncc1COCCCCI 34a_200012148704_100000690890 [0,2,0,0,0,0|2,0,0]=4 37897 B14R1.882 Cc1ccncc1COCCCCN 34a_100000750430_100000690890 [0,2,0,0,0,0|2,0,0]=4 37898 B14R1.882 Cc1ccncc1COCCCCO 34a_100011996381_100011216708 [0,2,0,0,0,0|1,0,0]=3 37899 B14R1.882 Cc1ccncc1CSCCCCF 62a_100000690890_100000729493 [0,2,0,0,0,0|2,0,0]=4 37900 B14R1.882 Cc1ccncc1CSCCCCF 62a_100000729493_100000690890 [0,2,0,0,0,0|2,0,0]=4 37901 B14R1.882 Cc1ccncc1CSCCCCO 62a_100000210776_100000690890 [0,2,0,0,0,0|1,0,0]=3 37902 B14R1.882 Cc1ccncc1CSCCCCO 62a_100000690890_100000210776 [0,2,0,0,0,0|1,0,0]=3 37903 B14R1.882 Cc1ccncc1OCCCCCF 34a_100011997053_100000729378 [0,2,0,0,0,0|2,0,0]=4 37904 B14R1.882 Cc1ccncc1OCCCCCF 7a_100011997053_100000729378 [0,2,0,0,0,0|2,0,0]=4 37905 B14R1.882 Cc1ccncc1OCCCCCO 34a_100011997053_100000746330 [0,2,0,0,0,0|1,0,0]=3 37906 B14R1.882 Cc1ccncc1OCCCCCO 7a_100011997053_100000746330 [0,2,0,0,0,0|1,0,0]=3 37907 B14R1.882 Cc1ccncc1OCCOCCO 34a_100011997053_100000692535 [0,2,0,0,0,0|2,0,0]=4 37908 B14R1.882 Cc1ccncc1OCCOCCO 7a_100011997053_100011215305 [0,2,0,0,0,0|2,0,0]=4 37909 B14R1.882 Cc1ccncc1SCCCCCF 62a_100000729378_100000761580 [0,2,0,0,0,0|2,0,0]=4 37910 B14R1.882 Cc1ccncc1SCCCCCF 62a_100000761580_100000729378 [0,2,0,0,0,0|2,0,0]=4 37911 B14R1.882 Cc1ccncc1SCCCCCO 62a_100000746330_100000761580 [0,2,0,0,0,0|1,0,0]=3 37912 B14R1.882 Cc1ccncc1SCCCCCO 62a_100000761580_100000746330 [0,2,0,0,0,0|1,0,0]=3 37913 B14R1.882 Cc1ccncc1SCCOCCO 62a_100000761580_100011215305 [0,2,0,0,0,0|2,0,0]=4 37914 B14R1.882 Cc1ccncc1SCCOCCO 62a_100011215305_100000761580 [0,2,0,0,0,0|2,0,0]=4 37915 B14R1.882 Cc1ccnnc1NCCCCCO 27a_100000762737_100000089043 [0,2,0,0,0,0|2,0,0]=4 37916 B14R1.882 Cc1ccnnc1SCCCCCO 62a_100000746330_100000089043 [0,2,0,0,0,0|2,0,0]=4 37917 B14R1.882 Cc1cnccc1CNCCCCO 2230a_100000750430_100020672808 [0,2,0,0,0,0|1,0,0]=3 37918 B14R1.882 Cc1cnccc1CNCCCCO 34a_100000750430_100020672809 [0,2,0,0,0,0|1,0,0]=3 37919 B14R1.882 Cc1cnccc1COCCCCBr 34a_100011216708_100020672809 [0,2,0,0,0,0|2,0,0]=4 37920 B14R1.882 Cc1cnccc1COCCCCCl 34a_100000210776_100020672809 [0,2,0,0,0,0|2,0,0]=4 37921 B14R1.882 Cc1cnccc1COCCCCCl 7a_100000210776_100020672808 [0,2,0,0,0,0|2,0,0]=4 37922 B14R1.882 Cc1cnccc1COCCCCF 34a_100011995726_100020672809 [0,2,0,0,0,0|2,0,0]=4 37923 B14R1.882 Cc1cnccc1COCCCCF 34a_100011997032_100000729493 [0,2,0,0,0,0|2,0,0]=4 37924 B14R1.882 Cc1cnccc1COCCCCF 7a_100011995726_100020672808 [0,2,0,0,0,0|2,0,0]=4 37925 B14R1.882 Cc1cnccc1COCCCCI 34a_200012148704_100020672809 [0,2,0,0,0,0|2,0,0]=4 37926 B14R1.882 Cc1cnccc1COCCCCN 34a_100000750430_100020672809 [0,2,0,0,0,0|2,0,0]=4 37927 B14R1.882 Cc1cnccc1COCCCCO 34a_100011997032_100011216708 [0,2,0,0,0,0|1,0,0]=3 37928 B14R1.882 Cc1cnccc1CSCCCCF 62a_100000729493_100020672808 [0,2,0,0,0,0|2,0,0]=4 37929 B14R1.882 Cc1cnccc1CSCCCCF 62a_100020672808_100000729493 [0,2,0,0,0,0|2,0,0]=4 37930 B14R1.882 Cc1cnccc1CSCCCCO 62a_100000210776_100020672808 [0,2,0,0,0,0|1,0,0]=3 37931 B14R1.882 Cc1cnccc1CSCCCCO 62a_100020672808_100000210776 [0,2,0,0,0,0|1,0,0]=3 37932 B14R1.882 Cc1cnccc1NCCCCCO 27a_100000762737_100000765111 [0,2,0,0,0,0|1,0,0]=3 37933 B14R1.882 Cc1cnccc1NCCOCCO 27a_100000211614_100000765111 [0,2,0,0,0,0|2,0,0]=4 37934 B14R1.882 Cc1cnccc1NCCSCCO 27a_100011219999_100000765111 [0,2,0,0,0,0|2,0,0]=4 37935 B14R1.882 Cc1cnccc1OCCCCCF 34a_100000694293_100000729378 [0,2,0,0,0,0|2,0,0]=4 37936 B14R1.882 Cc1cnccc1OCCCCCO 34a_100000694293_100000746330 [0,2,0,0,0,0|1,0,0]=3 37937 B14R1.882 Cc1cnccc1OCCOCCO 34a_100000694293_100000692535 [0,2,0,0,0,0|2,0,0]=4 37938 B14R1.882 Cc1cnccc1SCCCCCF 62a_100000729378_100000765111 [0,2,0,0,0,0|2,0,0]=4 37939 B14R1.882 Cc1cnccc1SCCCCCF 62a_100000765111_100000729378 [0,2,0,0,0,0|2,0,0]=4 37940 B14R1.882 Cc1cnccc1SCCCCCO 62a_100000746330_100000765111 [0,2,0,0,0,0|1,0,0]=3 37941 B14R1.882 Cc1cnccc1SCCCCCO 62a_100000765111_100000746330 [0,2,0,0,0,0|1,0,0]=3 37942 B14R1.882 Cc1cnccc1SCCOCCO 62a_100000765111_100011215305 [0,2,0,0,0,0|2,0,0]=4 37943 B14R1.882 Cc1cnccc1SCCOCCO 62a_100011215305_100000765111 [0,2,0,0,0,0|2,0,0]=4 37944 B14R1.882 Cc1cncnc1NCCCCCO 27a_100000762737_100011998708 [0,2,0,0,0,0|2,0,0]=4 37945 B14R1.882 Cc1cncnc1SCCCCCO 62a_100000746330_100011998708 [0,2,0,0,0,0|2,0,0]=4 37946 B14R1.882 Cc1cncnc1SCCCCCO 62a_100011998708_100000746330 [0,2,0,0,0,0|2,0,0]=4 37947 B14R1.882 Cc1ncccc1CNCCCCO 207a_100000750430_100000751968 [0,2,0,0,0,0|1,0,0]=3 37948 B14R1.882 Cc1ncccc1CNCCCCO 2230a_100000750430_100000732876 [0,2,0,0,0,0|1,0,0]=3 37949 B14R1.882 Cc1ncccc1CNCCCCO 270004a_100000750430_100000751968 [0,2,0,0,0,0|1,0,0]=3 37950 B14R1.882 Cc1ncccc1CNCCCCO 34a_100000750430_100000732876 [0,2,0,0,0,0|1,0,0]=3 37951 B14R1.882 Cc1ncccc1COCCCCBr 34a_100011216708_100000732876 [0,2,0,0,0,0|2,0,0]=4 37952 B14R1.882 Cc1ncccc1COCCCCCl 34a_100000210776_100000732876 [0,2,0,0,0,0|2,0,0]=4 37953 B14R1.882 Cc1ncccc1COCCCCCl 7a_100000210776_100000732876 [0,2,0,0,0,0|2,0,0]=4 37954 B14R1.882 Cc1ncccc1COCCCCF 34a_100000729262_100000729493 [0,2,0,0,0,0|2,0,0]=4 37955 B14R1.882 Cc1ncccc1COCCCCF 34a_100011995726_100000732876 [0,2,0,0,0,0|2,0,0]=4 37956 B14R1.882 Cc1ncccc1COCCCCF 7a_100000729262_100000729493 [0,2,0,0,0,0|2,0,0]=4 37957 B14R1.882 Cc1ncccc1COCCCCF 7a_100011995726_100000732876 [0,2,0,0,0,0|2,0,0]=4 37958 B14R1.882 Cc1ncccc1COCCCCI 34a_200012148704_100000732876 [0,2,0,0,0,0|2,0,0]=4 37959 B14R1.882 Cc1ncccc1COCCCCN 34a_100000750430_100000732876 [0,2,0,0,0,0|2,0,0]=4 37960 B14R1.882 Cc1ncccc1COCCCCO 34a_100000729262_100011216708 [0,2,0,0,0,0|1,0,0]=3 37961 B14R1.882 Cc1ncccc1COCCCCO 7a_100000729262_100000210776 [0,2,0,0,0,0|1,0,0]=3 37962 B14R1.882 Cc1ncccc1CSCCCCF 62a_100000729493_100000732876 [0,2,0,0,0,0|2,0,0]=4 37963 B14R1.882 Cc1ncccc1CSCCCCF 62a_100000732876_100000729493 [0,2,0,0,0,0|2,0,0]=4 37964 B14R1.882 Cc1ncccc1CSCCCCO 62a_100000210776_100000732876 [0,2,0,0,0,0|1,0,0]=3 37965 B14R1.882 Cc1ncccc1CSCCCCO 62a_100000732876_100000210776 [0,2,0,0,0,0|1,0,0]=3 37966 B14R1.882 Cc1ncccc1OCCCCCF 34a_100000745507_100000729378 [0,2,0,0,0,0|2,0,0]=4 37967 B14R1.882 Cc1ncccc1OCCCCCF 7a_100000745507_100000729378 [0,2,0,0,0,0|2,0,0]=4 37968 B14R1.882 Cc1ncccc1OCCCCCO 34a_100000745507_100000746330 [0,2,0,0,0,0|1,0,0]=3 37969 B14R1.882 Cc1ncccc1OCCCCCO 7a_100000745507_100000746330 [0,2,0,0,0,0|1,0,0]=3 37970 B14R1.882 Cc1ncccc1OCCOCCO 34a_100000745507_100000692535 [0,2,0,0,0,0|2,0,0]=4 37971 B14R1.882 Cc1ncccc1OCCOCCO 7a_100000745507_100011215305 [0,2,0,0,0,0|2,0,0]=4 37972 B14R1.882 Cc1ncccc1SCCCCCF 62a_100000729378_100000751574 [0,2,0,0,0,0|2,0,0]=4 37973 B14R1.882 Cc1ncccc1SCCCCCF 62a_100000751574_100000729378 [0,2,0,0,0,0|2,0,0]=4 37974 B14R1.882 Cc1ncccc1SCCCCCO 62a_100000746330_100000751574 [0,2,0,0,0,0|1,0,0]=3 37975 B14R1.882 Cc1ncccc1SCCCCCO 62a_100000751574_100000746330 [0,2,0,0,0,0|1,0,0]=3 37976 B14R1.882 Cc1ncccc1SCCOCCO 62a_100000751574_100011215305 [0,2,0,0,0,0|2,0,0]=4 37977 B14R1.882 Cc1ncccc1SCCOCCO 62a_100011215305_100000751574 [0,2,0,0,0,0|2,0,0]=4 37978 B14R1.882 Cc1nccnc1CNCCCCO 2230a_100020641712_100000210776 [0,2,0,0,0,0|2,0,0]=4 37979 B14R1.882 Cc1nccnc1CNCCCCO 270004a_100000750430_100000050726 [0,2,0,0,0,0|2,0,0]=4 37980 B14R1.882 Cc1nccnc1CNCCCCO 34a_100020641712_100011216708 [0,2,0,0,0,0|2,0,0]=4 37981 B14R1.882 Cc1nccnc1NCCCCCO 27a_100000762737_100011999405 [0,2,0,0,0,0|2,0,0]=4 37982 B14R1.882 Cc1nccnc1OCCCCCO 34a_100000766352_100000746330 [0,2,0,0,0,0|2,0,0]=4 37983 B14R1.882 Cc1nccnc1SCCCCCO 62a_100000746330_100011999405 [0,2,0,0,0,0|2,0,0]=4 37984 B14R1.882 Cc1nccnc1SCCCCCO 62a_100011999405_100000746330 [0,2,0,0,0,0|2,0,0]=4 37985 B14R1.882 Cc1ncncc1SCCCCCO 62a_100000746330_100009819671 [0,2,0,0,0,0|2,0,0]=4 37986 B14R1.882 Cc1ncncc1SCCCCCO 62a_100009819671_100000746330 [0,2,0,0,0,0|2,0,0]=4 37987 B14R1.882 ClCCCCOCc1ccccc1Br 34a_100000210776_100000184730 [0,2,0,0,0,0|1,0,0]=3 37988 B14R1.882 ClCCCCOCc1ccccc1Br 7a_100000210776_100000184730 [0,2,0,0,0,0|1,0,0]=3 37989 B14R1.882 ClCCCCOCc1ccccc1Cl 34a_100000210776_100000187162 [0,2,0,0,0,0|1,0,0]=3 37990 B14R1.882 ClCCCCOCc1ccccc1Cl 7a_100000210776_100000187162 [0,2,0,0,0,0|1,0,0]=3 37991 B14R1.882 ClCCCCOCc1ccccc1I 34a_100000210776_100011215278 [0,2,0,0,0,0|1,0,0]=3 37992 B14R1.882 ClCCCCOCc1ccccc1I 7a_100000210776_100011215278 [0,2,0,0,0,0|1,0,0]=3 37993 B14R1.882 ClCCCCOCc1cccnc1Br 34a_100000210776_100010140945 [0,2,0,0,0,0|2,0,0]=4 37994 B14R1.882 ClCCCCOCc1cccnc1Br 7a_100000210776_100010140945 [0,2,0,0,0,0|2,0,0]=4 37995 B14R1.882 ClCCCCOCc1cccnc1Cl 34a_100000210776_100000045678 [0,2,0,0,0,0|2,0,0]=4 37996 B14R1.882 ClCCCCOCc1cccnc1Cl 7a_100000210776_100000045678 [0,2,0,0,0,0|2,0,0]=4 37997 B14R1.882 ClCCCCOCc1ccncc1Cl 7a_100000210776_100000763264 [0,2,0,0,0,0|2,0,0]=4 37998 B14R1.882 ClCCCCOCc1ncccc1Br 34a_100000210776_100025702911 [0,2,0,0,0,0|2,0,0]=4 37999 B14R1.882 ClCCCCOCc1ncccc1Br 7a_100000210776_100025702911 [0,2,0,0,0,0|2,0,0]=4 38000 B14R1.882 ClCCCCOCc1ncccc1Cl 7a_100000210776_100000099807 [0,2,0,0,0,0|2,0,0]=4 38001 B14R1.882 ClCCCOCCc1ccccc1Br 34a_100000230001_100012161201 [0,2,0,0,0,0|1,0,0]=3 38002 B14R1.882 ClCCCOCCc1ccccc1Cl 34a_100000230001_100011713703 [0,2,0,0,0,0|1,0,0]=3 38003 B14R1.882 Clc1ccccc1CCOCCCBr 34a_100011217188_100011713703 [0,2,0,0,0,0|1,0,0]=3 38004 B14R1.882 Clc1ccccc1COCCCCBr 34a_100011216708_100000187162 [0,2,0,0,0,0|1,0,0]=3 38005 B14R1.882 Clc1ccccc1COCCCCI 34a_200012148704_100000187162 [0,2,0,0,0,0|1,0,0]=3 38006 B14R1.882 Clc1ncccc1COCCCCBr 34a_100011216708_100000045678 [0,2,0,0,0,0|2,0,0]=4 38007 B14R1.882 Clc1ncccc1COCCCCI 34a_200012148704_100000045678 [0,2,0,0,0,0|2,0,0]=4 38008 B14R1.882 FCCCCCNc1ccccc1Br 34a_100000210017_100000729378 [0,2,0,0,0,0|1,0,0]=3 38009 B14R1.882 FCCCCCNc1ccccc1Cl 34a_100000185783_100000729378 [0,2,0,0,0,0|1,0,0]=3 38010 B14R1.882 FCCCCCNc1ccccc1F 34a_100000210422_100000729378 [0,2,0,0,0,0|1,0,0]=3 38011 B14R1.882 FCCCCCNc1ccccc1I 34a_100000210053_100000729378 [0,2,0,0,0,0|1,0,0]=3 38012 B14R1.882 FCCCCCOc1ccccc1Br 34a_100000181306_100000729378 [0,2,0,0,0,0|1,0,0]=3 38013 B14R1.882 FCCCCCOc1ccccc1Br 7a_100000181306_100000729378 [0,2,0,0,0,0|1,0,0]=3 38014 B14R1.882 FCCCCCOc1ccccc1Cl 34a_100000210172_100000729378 [0,2,0,0,0,0|1,0,0]=3 38015 B14R1.882 FCCCCCOc1ccccc1Cl 7a_100000210172_100000729378 [0,2,0,0,0,0|1,0,0]=3 38016 B14R1.882 FCCCCCOc1ccccc1F 34a_100000210171_100000729378 [0,2,0,0,0,0|1,0,0]=3 38017 B14R1.882 FCCCCCOc1ccccc1F 7a_100000210171_100000729378 [0,2,0,0,0,0|1,0,0]=3 38018 B14R1.882 FCCCCCOc1ccccc1I 34a_100000739446_100000729378 [0,2,0,0,0,0|1,0,0]=3 38019 B14R1.882 FCCCCCOc1ccccc1I 7a_100000739446_100000729378 [0,2,0,0,0,0|1,0,0]=3 38020 B14R1.882 FCCCCCOc1cccnc1Br 34a_100000744436_100000729378 [0,2,0,0,0,0|2,0,0]=4 38021 B14R1.882 FCCCCCOc1cccnc1Br 7a_100000744436_100000729378 [0,2,0,0,0,0|2,0,0]=4 38022 B14R1.882 FCCCCCOc1cccnc1Cl 34a_100000757616_100000729378 [0,2,0,0,0,0|2,0,0]=4 38023 B14R1.882 FCCCCCOc1cccnc1Cl 7a_100000757616_100000729378 [0,2,0,0,0,0|2,0,0]=4 38024 B14R1.882 FCCCCCOc1cccnc1F 34a_100000061740_100000729378 [0,2,0,0,0,0|2,0,0]=4 38025 B14R1.882 FCCCCCOc1cccnc1F 7a_100000061740_100000729378 [0,2,0,0,0,0|2,0,0]=4 38026 B14R1.882 FCCCCCOc1cccnc1I 34a_100000034122_100000729378 [0,2,0,0,0,0|2,0,0]=4 38027 B14R1.882 FCCCCCOc1cccnc1I 7a_100000034122_100000729378 [0,2,0,0,0,0|2,0,0]=4 38028 B14R1.882 FCCCCCOc1ccncc1Br 34a_100011996408_100000729378 [0,2,0,0,0,0|2,0,0]=4 38029 B14R1.882 FCCCCCOc1ccncc1Cl 34a_100011997054_100000729378 [0,2,0,0,0,0|2,0,0]=4 38030 B14R1.882 FCCCCCOc1ccncc1F 34a_200000081243_100000729378 [0,2,0,0,0,0|2,0,0]=4 38031 B14R1.882 FCCCCCOc1cnccc1Cl 34a_100011996695_100000729378 [0,2,0,0,0,0|2,0,0]=4 38032 B14R1.882 FCCCCCOc1cnccc1I 34a_100000050107_100000729378 [0,2,0,0,0,0|2,0,0]=4 38033 B14R1.882 FCCCCCOc1ncccc1Cl 34a_100011290957_100000729378 [0,2,0,0,0,0|2,0,0]=4 38034 B14R1.882 FCCCCCOc1ncccc1F 34a_100011219419_100000729378 [0,2,0,0,0,0|2,0,0]=4 38035 B14R1.882 FCCCCCSc1c[nH]ccc1=S 62a_100000729378_200012280681 [0,2,0,0,0,0|2,0,0]=4 38036 B14R1.882 FCCCCCSc1c[nH]ccc1=S 62a_200012280681_100000729378 [0,2,0,0,0,0|2,0,0]=4 38037 B14R1.882 FCCCCCSc1ccccc1Br 62a_100000695589_100000729378 [0,2,0,0,0,0|1,0,0]=3 38038 B14R1.882 FCCCCCSc1ccccc1Br 62a_100000729378_100000695589 [0,2,0,0,0,0|1,0,0]=3 38039 B14R1.882 FCCCCCSc1ccccc1Cl 62a_100000729378_100000764095 [0,2,0,0,0,0|1,0,0]=3 38040 B14R1.882 FCCCCCSc1ccccc1Cl 62a_100000764095_100000729378 [0,2,0,0,0,0|1,0,0]=3 38041 B14R1.882 FCCCCCSc1ccccc1F 62a_100000729378_100011215700 [0,2,0,0,0,0|1,0,0]=3 38042 B14R1.882 FCCCCCSc1ccccc1F 62a_100011215700_100000729378 [0,2,0,0,0,0|1,0,0]=3 38043 B14R1.882 FCCCCCSc1cccnc1Br 62a_100000729378_100010202626 [0,2,0,0,0,0|2,0,0]=4 38044 B14R1.882 FCCCCCSc1cccnc1Br 62a_100010202626_100000729378 [0,2,0,0,0,0|2,0,0]=4 38045 B14R1.882 FCCCCCSc1cccnc1Cl 62a_100000036424_100000729378 [0,2,0,0,0,0|2,0,0]=4 38046 B14R1.882 FCCCCCSc1cccnc1Cl 62a_100000729378_100000036424 [0,2,0,0,0,0|2,0,0]=4 38047 B14R1.882 FCCCCCSc1cccnc1F 62a_100000729378_100009816115 [0,2,0,0,0,0|2,0,0]=4 38048 B14R1.882 FCCCCCSc1cccnc1F 62a_100009816115_100000729378 [0,2,0,0,0,0|2,0,0]=4 38049 B14R1.882 FCCCCCSc1ccncc1Br 62a_100000726257_100000729378 [0,2,0,0,0,0|2,0,0]=4 38050 B14R1.882 FCCCCCSc1ccncc1Br 62a_100000729378_100000726257 [0,2,0,0,0,0|2,0,0]=4 38051 B14R1.882 FCCCCCSc1ccncc1Cl 62a_100000708259_100000729378 [0,2,0,0,0,0|2,0,0]=4 38052 B14R1.882 FCCCCCSc1ccncc1Cl 62a_100000729378_100000708259 [0,2,0,0,0,0|2,0,0]=4 38053 B14R1.882 FCCCCCSc1ccncc1F 62a_100000047030_100000729378 [0,2,0,0,0,0|2,0,0]=4 38054 B14R1.882 FCCCCCSc1ccncc1F 62a_100000729378_100000047030 [0,2,0,0,0,0|2,0,0]=4 38055 B14R1.882 FCCCCCSc1cnccc1Br 62a_100000729378_100010138639 [0,2,0,0,0,0|2,0,0]=4 38056 B14R1.882 FCCCCCSc1cnccc1Br 62a_100010138639_100000729378 [0,2,0,0,0,0|2,0,0]=4 38057 B14R1.882 FCCCCCSc1cnccc1Cl 62a_100000729378_100009995489 [0,2,0,0,0,0|2,0,0]=4 38058 B14R1.882 FCCCCCSc1cnccc1Cl 62a_100009995489_100000729378 [0,2,0,0,0,0|2,0,0]=4 38059 B14R1.882 FCCCCCSc1cnccc1F 62a_100000729378_100009820683 [0,2,0,0,0,0|2,0,0]=4 38060 B14R1.882 FCCCCCSc1cnccc1F 62a_100009820683_100000729378 [0,2,0,0,0,0|2,0,0]=4 38061 B14R1.882 FCCCCCSc1ncccc1Br 62a_100000696092_100000729378 [0,2,0,0,0,0|2,0,0]=4 38062 B14R1.882 FCCCCCSc1ncccc1Br 62a_100000729378_100000696092 [0,2,0,0,0,0|2,0,0]=4 38063 B14R1.882 FCCCCCSc1ncccc1Cl 62a_100000729378_100011356963 [0,2,0,0,0,0|2,0,0]=4 38064 B14R1.882 FCCCCCSc1ncccc1Cl 62a_100011356963_100000729378 [0,2,0,0,0,0|2,0,0]=4 38065 B14R1.882 FCCCCCSc1ncccc1F 62a_100000685392_100000729378 [0,2,0,0,0,0|2,0,0]=4 38066 B14R1.882 FCCCCCSc1ncccc1F 62a_100000729378_100000685392 [0,2,0,0,0,0|2,0,0]=4 38067 B14R1.882 FCCCCNCc1ccccc1Br 2230a_100000689332_100000729493 [0,2,0,0,0,0|1,0,0]=3 38068 B14R1.882 FCCCCNCc1ccccc1Br 34a_100000689332_100000729493 [0,2,0,0,0,0|1,0,0]=3 38069 B14R1.882 FCCCCNCc1ccccc1Cl 2230a_100000174879_100000729493 [0,2,0,0,0,0|1,0,0]=3 38070 B14R1.882 FCCCCNCc1ccccc1Cl 34a_100000174879_100000729493 [0,2,0,0,0,0|1,0,0]=3 38071 B14R1.882 FCCCCNCc1ccccc1F 34a_100000174869_100000729493 [0,2,0,0,0,0|1,0,0]=3 38072 B14R1.882 FCCCCNCc1cccnc1Br 2230a_100009818023_100000729493 [0,2,0,0,0,0|2,0,0]=4 38073 B14R1.882 FCCCCNCc1cccnc1Br 34a_100009818023_100000729493 [0,2,0,0,0,0|2,0,0]=4 38074 B14R1.882 FCCCCNCc1cccnc1Cl 2230a_100015189234_100000729493 [0,2,0,0,0,0|2,0,0]=4 38075 B14R1.882 FCCCCNCc1cccnc1Cl 34a_100015189234_100000729493 [0,2,0,0,0,0|2,0,0]=4 38076 B14R1.882 FCCCCNCc1cccnc1F 34a_100000724633_100000729493 [0,2,0,0,0,0|2,0,0]=4 38077 B14R1.882 FCCCCNCc1ccncc1F 34a_100011935246_100000729493 [0,2,0,0,0,0|2,0,0]=4 38078 B14R1.882 FCCCCNCc1ncccc1Cl 2230a_100015189233_100000729493 [0,2,0,0,0,0|2,0,0]=4 38079 B14R1.882 FCCCCNCc1ncccc1F 34a_100000690088_100000729493 [0,2,0,0,0,0|2,0,0]=4 38080 B14R1.882 FCCCCOCc1ccccc1Br 34a_100000756307_100000729493 [0,2,0,0,0,0|1,0,0]=3 38081 B14R1.882 FCCCCOCc1ccccc1Br 34a_100011995726_100000184730 [0,2,0,0,0,0|1,0,0]=3 38082 B14R1.882 FCCCCOCc1ccccc1Br 7a_100000756307_100000729493 [0,2,0,0,0,0|1,0,0]=3 38083 B14R1.882 FCCCCOCc1ccccc1Br 7a_100011995726_100000184730 [0,2,0,0,0,0|1,0,0]=3 38084 B14R1.882 FCCCCOCc1ccccc1Cl 34a_100000210847_100000729493 [0,2,0,0,0,0|1,0,0]=3 38085 B14R1.882 FCCCCOCc1ccccc1Cl 34a_100011995726_100000187162 [0,2,0,0,0,0|1,0,0]=3 38086 B14R1.882 FCCCCOCc1ccccc1Cl 7a_100000210847_100000729493 [0,2,0,0,0,0|1,0,0]=3 38087 B14R1.882 FCCCCOCc1ccccc1Cl 7a_100011995726_100000187162 [0,2,0,0,0,0|1,0,0]=3 38088 B14R1.882 FCCCCOCc1ccccc1F 34a_100000211962_100000729493 [0,2,0,0,0,0|1,0,0]=3 38089 B14R1.882 FCCCCOCc1ccccc1F 34a_100011995726_100000211605 [0,2,0,0,0,0|1,0,0]=3 38090 B14R1.882 FCCCCOCc1ccccc1F 7a_100000211962_100000729493 [0,2,0,0,0,0|1,0,0]=3 38091 B14R1.882 FCCCCOCc1ccccc1F 7a_100011995726_100000211605 [0,2,0,0,0,0|1,0,0]=3 38092 B14R1.882 FCCCCOCc1ccccc1I 34a_100000187465_100000729493 [0,2,0,0,0,0|1,0,0]=3 38093 B14R1.882 FCCCCOCc1ccccc1I 34a_100011995726_100011215278 [0,2,0,0,0,0|1,0,0]=3 38094 B14R1.882 FCCCCOCc1ccccc1I 7a_100000187465_100000729493 [0,2,0,0,0,0|1,0,0]=3 38095 B14R1.882 FCCCCOCc1ccccc1I 7a_100011995726_100011215278 [0,2,0,0,0,0|1,0,0]=3 38096 B14R1.882 FCCCCOCc1cccnc1Br 34a_100000719692_100000729493 [0,2,0,0,0,0|2,0,0]=4 38097 B14R1.882 FCCCCOCc1cccnc1Br 34a_100011995726_100010140945 [0,2,0,0,0,0|2,0,0]=4 38098 B14R1.882 FCCCCOCc1cccnc1Br 7a_100000719692_100000729493 [0,2,0,0,0,0|2,0,0]=4 38099 B14R1.882 FCCCCOCc1cccnc1Br 7a_100011995726_100010140945 [0,2,0,0,0,0|2,0,0]=4 38100 B14R1.882 FCCCCOCc1cccnc1Cl 34a_100000748726_100000729493 [0,2,0,0,0,0|2,0,0]=4 38101 B14R1.882 FCCCCOCc1cccnc1Cl 34a_100011995726_100000045678 [0,2,0,0,0,0|2,0,0]=4 38102 B14R1.882 FCCCCOCc1cccnc1Cl 7a_100000748726_100000729493 [0,2,0,0,0,0|2,0,0]=4 38103 B14R1.882 FCCCCOCc1cccnc1Cl 7a_100011995726_100000045678 [0,2,0,0,0,0|2,0,0]=4 38104 B14R1.882 FCCCCOCc1cccnc1F 34a_100000079888_100000729493 [0,2,0,0,0,0|2,0,0]=4 38105 B14R1.882 FCCCCOCc1cccnc1F 34a_100011995726_100000099810 [0,2,0,0,0,0|2,0,0]=4 38106 B14R1.882 FCCCCOCc1cccnc1F 7a_100000079888_100000729493 [0,2,0,0,0,0|2,0,0]=4 38107 B14R1.882 FCCCCOCc1cccnc1F 7a_100011995726_100000099810 [0,2,0,0,0,0|2,0,0]=4 38108 B14R1.882 FCCCCOCc1ccncc1Cl 7a_100011995726_100000763264 [0,2,0,0,0,0|2,0,0]=4 38109 B14R1.882 FCCCCOCc1ccncc1F 34a_100012172863_100000729493 [0,2,0,0,0,0|2,0,0]=4 38110 B14R1.882 FCCCCOCc1cnccc1Cl 34a_100000117392_100000729493 [0,2,0,0,0,0|2,0,0]=4 38111 B14R1.882 FCCCCOCc1ncccc1Br 34a_100011995726_100025702911 [0,2,0,0,0,0|2,0,0]=4 38112 B14R1.882 FCCCCOCc1ncccc1Br 34a_100011996772_100000729493 [0,2,0,0,0,0|2,0,0]=4 38113 B14R1.882 FCCCCOCc1ncccc1Br 7a_100011995726_100025702911 [0,2,0,0,0,0|2,0,0]=4 38114 B14R1.882 FCCCCOCc1ncccc1Cl 34a_100012002383_100000729493 [0,2,0,0,0,0|2,0,0]=4 38115 B14R1.882 FCCCCOCc1ncccc1Cl 7a_100011995726_100000099807 [0,2,0,0,0,0|2,0,0]=4 38116 B14R1.882 FCCCCOCc1ncccc1F 34a_100011934865_100000729493 [0,2,0,0,0,0|2,0,0]=4 38117 B14R1.882 FCCCCOCc1ncccc1F 34a_100011995726_100000104219 [0,2,0,0,0,0|2,0,0]=4 38118 B14R1.882 FCCCCOCc1ncccc1F 7a_100011995726_100000104219 [0,2,0,0,0,0|2,0,0]=4 38119 B14R1.882 FCCCCSCc1ccccc1Br 62a_100000184730_100000729493 [0,2,0,0,0,0|1,0,0]=3 38120 B14R1.882 FCCCCSCc1ccccc1Br 62a_100000729493_100000184730 [0,2,0,0,0,0|1,0,0]=3 38121 B14R1.882 FCCCCSCc1ccccc1Cl 62a_100000187162_100000729493 [0,2,0,0,0,0|1,0,0]=3 38122 B14R1.882 FCCCCSCc1ccccc1Cl 62a_100000729493_100000187162 [0,2,0,0,0,0|1,0,0]=3 38123 B14R1.882 FCCCCSCc1ccccc1F 62a_100000211605_100000729493 [0,2,0,0,0,0|1,0,0]=3 38124 B14R1.882 FCCCCSCc1ccccc1F 62a_100000729493_100000211605 [0,2,0,0,0,0|1,0,0]=3 38125 B14R1.882 FCCCCSCc1ccccc1I 62a_100000729493_100011216222 [0,2,0,0,0,0|1,0,0]=3 38126 B14R1.882 FCCCCSCc1ccccc1I 62a_100011216222_100000729493 [0,2,0,0,0,0|1,0,0]=3 38127 B14R1.882 FCCCCSCc1cccnc1Br 62a_100000729493_100010140945 [0,2,0,0,0,0|2,0,0]=4 38128 B14R1.882 FCCCCSCc1cccnc1Br 62a_100010140945_100000729493 [0,2,0,0,0,0|2,0,0]=4 38129 B14R1.882 FCCCCSCc1cccnc1Cl 62a_100000045678_100000729493 [0,2,0,0,0,0|2,0,0]=4 38130 B14R1.882 FCCCCSCc1cccnc1Cl 62a_100000729493_100000045678 [0,2,0,0,0,0|2,0,0]=4 38131 B14R1.882 FCCCCSCc1cccnc1F 62a_100000099810_100000729493 [0,2,0,0,0,0|2,0,0]=4 38132 B14R1.882 FCCCCSCc1cccnc1F 62a_100000729493_100000099810 [0,2,0,0,0,0|2,0,0]=4 38133 B14R1.882 FCCCCSCc1ccncc1Cl 62a_100000729493_100000763264 [0,2,0,0,0,0|2,0,0]=4 38134 B14R1.882 FCCCCSCc1ccncc1Cl 62a_100000763264_100000729493 [0,2,0,0,0,0|2,0,0]=4 38135 B14R1.882 FCCCCSCc1ncccc1Br 62a_100000729493_100025702911 [0,2,0,0,0,0|2,0,0]=4 38136 B14R1.882 FCCCCSCc1ncccc1Br 62a_100025702911_100000729493 [0,2,0,0,0,0|2,0,0]=4 38137 B14R1.882 FCCCCSCc1ncccc1Cl 62a_100000099807_100000729493 [0,2,0,0,0,0|2,0,0]=4 38138 B14R1.882 FCCCCSCc1ncccc1Cl 62a_100000729493_100000099807 [0,2,0,0,0,0|2,0,0]=4 38139 B14R1.882 FCCCCSCc1ncccc1F 62a_100000104219_100000729493 [0,2,0,0,0,0|2,0,0]=4 38140 B14R1.882 FCCCCSCc1ncccc1F 62a_100000729493_100000104219 [0,2,0,0,0,0|2,0,0]=4 38141 B14R1.882 FCCCNCCc1ccccc1Br 2230a_100000747383_100011934791 [0,2,0,0,0,0|1,0,0]=3 38142 B14R1.882 FCCCNCCc1ccccc1Br 2230a_100015189416_100012161201 [0,2,0,0,0,0|1,0,0]=3 38143 B14R1.882 FCCCNCCc1ccccc1Br 34a_100000747383_100011934791 [0,2,0,0,0,0|1,0,0]=3 38144 B14R1.882 FCCCNCCc1ccccc1Br 34a_100015189416_100012161201 [0,2,0,0,0,0|1,0,0]=3 38145 B14R1.882 FCCCNCCc1ccccc1Cl 2230a_100011207228_100011934791 [0,2,0,0,0,0|1,0,0]=3 38146 B14R1.882 FCCCNCCc1ccccc1Cl 2230a_100015189416_100011713703 [0,2,0,0,0,0|1,0,0]=3 38147 B14R1.882 FCCCNCCc1ccccc1Cl 270004a_100015189416_200011713468 [0,2,0,0,0,0|1,0,0]=3 38148 B14R1.882 FCCCNCCc1ccccc1Cl 34a_100011207228_100011934791 [0,2,0,0,0,0|1,0,0]=3 38149 B14R1.882 FCCCNCCc1ccccc1Cl 34a_100015189416_100011713703 [0,2,0,0,0,0|1,0,0]=3 38150 B14R1.882 FCCCNCCc1ccccc1F 2230a_100000185272_100011934791 [0,2,0,0,0,0|1,0,0]=3 38151 B14R1.882 FCCCNCCc1ccccc1F 2230a_100015189416_100011713696 [0,2,0,0,0,0|1,0,0]=3 38152 B14R1.882 FCCCNCCc1ccccc1F 34a_100000185272_100011934791 [0,2,0,0,0,0|1,0,0]=3 38153 B14R1.882 FCCCNCCc1ccccc1F 34a_100015189416_100000720011 [0,2,0,0,0,0|1,0,0]=3 38154 B14R1.882 FCCCOCCc1ccccc1Br 34a_100000731337_100011934791 [0,2,0,0,0,0|1,0,0]=3 38155 B14R1.882 FCCCOCCc1ccccc1Br 34a_100000759539_100012161201 [0,2,0,0,0,0|1,0,0]=3 38156 B14R1.882 FCCCOCCc1ccccc1Br 7a_100000731337_100011934791 [0,2,0,0,0,0|1,0,0]=3 38157 B14R1.882 FCCCOCCc1ccccc1Cl 34a_100000759539_100011713703 [0,2,0,0,0,0|1,0,0]=3 38158 B14R1.882 FCCCOCCc1ccccc1Cl 34a_100011215284_100011934791 [0,2,0,0,0,0|1,0,0]=3 38159 B14R1.882 FCCCOCCc1ccccc1Cl 7a_100011215284_100011934791 [0,2,0,0,0,0|1,0,0]=3 38160 B14R1.882 FCCCOCCc1ccccc1F 34a_100000753711_100011934791 [0,2,0,0,0,0|1,0,0]=3 38161 B14R1.882 FCCCOCCc1ccccc1F 34a_100000759539_100000720011 [0,2,0,0,0,0|1,0,0]=3 38162 B14R1.882 FCCCOCCc1ccccc1F 7a_100000753711_100011934791 [0,2,0,0,0,0|1,0,0]=3 38163 B14R1.882 FCCCOCCc1ccccc1I 34a_100010255290_100011934791 [0,2,0,0,0,0|1,0,0]=3 38164 B14R1.882 FCCCOCCc1ccccc1I 7a_100010255290_100011934791 [0,2,0,0,0,0|1,0,0]=3 38165 B14R1.882 FCCCSCCc1ccccc1Br 62a_100011934791_100012161201 [0,2,0,0,0,0|1,0,0]=3 38166 B14R1.882 FCCCSCCc1ccccc1Br 62a_100012161201_100011934791 [0,2,0,0,0,0|1,0,0]=3 38167 B14R1.882 FCCCSCCc1ccccc1Cl 62a_100011713703_100011934791 [0,2,0,0,0,0|1,0,0]=3 38168 B14R1.882 FCCCSCCc1ccccc1Cl 62a_100011934791_100011713703 [0,2,0,0,0,0|1,0,0]=3 38169 B14R1.882 FCCCSCCc1ccccc1F 62a_100011713696_100011934791 [0,2,0,0,0,0|1,0,0]=3 38170 B14R1.882 FCCCSCCc1ccccc1F 62a_100011934791_100011713696 [0,2,0,0,0,0|1,0,0]=3 38171 B14R1.882 FCCNCCCc1ccccc1Br 34a_100000724931_200011713681 [0,2,0,0,0,0|1,0,0]=3 38172 B14R1.882 FCCNCCCc1ccccc1F 2230a_100000724733_100011217306 [0,2,0,0,0,0|1,0,0]=3 38173 B14R1.882 FCCNCCCc1ccccc1F 34a_100000724733_100011217306 [0,2,0,0,0,0|1,0,0]=3 38174 B14R1.882 FCCNCCOc1ccccc1Br 2230a_100000744007_100011217306 [0,2,0,0,0,0|2,0,0]=4 38175 B14R1.882 FCCNCCOc1ccccc1Br 34a_100000724931_100000695877 [0,2,0,0,0,0|2,0,0]=4 38176 B14R1.882 FCCNCCOc1ccccc1Br 34a_100000744007_100011217306 [0,2,0,0,0,0|2,0,0]=4 38177 B14R1.882 FCCNCCOc1ccccc1Cl 2230a_100000174932_100011217306 [0,2,0,0,0,0|2,0,0]=4 38178 B14R1.882 FCCNCCOc1ccccc1Cl 34a_100000174932_100011217306 [0,2,0,0,0,0|2,0,0]=4 38179 B14R1.882 FCCNCCOc1ccccc1F 2230a_100000683764_100011217306 [0,2,0,0,0,0|2,0,0]=4 38180 B14R1.882 FCCNCCOc1ccccc1F 34a_100000683764_100011217306 [0,2,0,0,0,0|2,0,0]=4 38181 B14R1.882 FCCNCCOc1ccccc1F 34a_100000724931_100000183290 [0,2,0,0,0,0|2,0,0]=4 38182 B14R1.882 FCCOCCCc1ccccc1Br 34a_100000699526_100011217306 [0,2,0,0,0,0|1,0,0]=3 38183 B14R1.882 FCCOCCCc1ccccc1Br 7a_100000699526_100011217306 [0,2,0,0,0,0|1,0,0]=3 38184 B14R1.882 FCCOCCCc1ccccc1Cl 34a_100011709251_100011217306 [0,2,0,0,0,0|1,0,0]=3 38185 B14R1.882 FCCOCCCc1ccccc1Cl 7a_100011709251_100011217306 [0,2,0,0,0,0|1,0,0]=3 38186 B14R1.882 FCCOCCCc1ccccc1F 34a_100011709249_100011217306 [0,2,0,0,0,0|1,0,0]=3 38187 B14R1.882 FCCOCCCc1ccccc1F 7a_100011709249_100011217306 [0,2,0,0,0,0|1,0,0]=3 38188 B14R1.882 FCCOCCOc1ccccc1Br 34a_100000230753_100011217306 [0,2,0,0,0,0|2,0,0]=4 38189 B14R1.882 FCCOCCOc1ccccc1Br 7a_100000230753_100011217306 [0,2,0,0,0,0|2,0,0]=4 38190 B14R1.882 FCCOCCOc1ccccc1Cl 34a_200000230518_100011217306 [0,2,0,0,0,0|2,0,0]=4 38191 B14R1.882 FCCOCCOc1ccccc1Cl 7a_200000230518_100011217306 [0,2,0,0,0,0|2,0,0]=4 38192 B14R1.882 FCCOCCOc1ccccc1F 34a_100000756447_100011217306 [0,2,0,0,0,0|2,0,0]=4 38193 B14R1.882 FCCOCCOc1ccccc1F 7a_100000756447_100011217306 [0,2,0,0,0,0|2,0,0]=4 38194 B14R1.882 FCCOCCSc1ccccc1Br 34a_200000230852_100011217306 [0,2,0,0,0,0|2,0,0]=4 38195 B14R1.882 FCCOCCSc1ccccc1Br 7a_200000230852_100011217306 [0,2,0,0,0,0|2,0,0]=4 38196 B14R1.882 FCCOCCSc1ccccc1Cl 34a_200000230572_100011217306 [0,2,0,0,0,0|2,0,0]=4 38197 B14R1.882 FCCOCCSc1ccccc1Cl 7a_200000230572_100011217306 [0,2,0,0,0,0|2,0,0]=4 38198 B14R1.882 FCCOCCSc1ccccc1F 34a_200000230732_100011217306 [0,2,0,0,0,0|2,0,0]=4 38199 B14R1.882 FCCOCCSc1ccccc1F 7a_200000230732_100011217306 [0,2,0,0,0,0|2,0,0]=4 38200 B14R1.882 FCCSCCCc1ccccc1Br 62a_100011217306_200011713681 [0,2,0,0,0,0|1,0,0]=3 38201 B14R1.882 FCCSCCCc1ccccc1Br 62a_200011713681_100011217306 [0,2,0,0,0,0|1,0,0]=3 38202 B14R1.882 FCCSCCOc1ccccc1Br 62a_100000695877_100011217306 [0,2,0,0,0,0|2,0,0]=4 38203 B14R1.882 FCCSCCOc1ccccc1Br 62a_100011217306_100000695877 [0,2,0,0,0,0|2,0,0]=4 38204 B14R1.882 FCCSCCOc1ccccc1F 62a_100000183290_100011217306 [0,2,0,0,0,0|2,0,0]=4 38205 B14R1.882 FCCSCCOc1ccccc1F 62a_100011217306_100000183290 [0,2,0,0,0,0|2,0,0]=4 38206 B14R1.882 FCNCCCOc1ccccc1F 34a_100000707858_100015361967 [0,2,0,0,0,0|2,0,0]=4 38207 B14R1.882 FCNCCOCc1ccccc1Cl 34a_100000745786_100015361967 [0,2,0,0,0,0|2,0,0]=4 38208 B14R1.882 FCNCCSCc1ccccc1Cl 34a_100011219180_100015361967 [0,2,0,0,0,0|2,0,0]=4 38209 B14R1.882 FCNCCSCc1ccccc1Cl 7a_100011219180_100015361967 [0,2,0,0,0,0|2,0,0]=4 38210 B14R1.882 FCOCCCCc1ccccc1Br 34a_100012092669_100015361967 [0,2,0,0,0,0|1,0,0]=3 38211 B14R1.882 FCOCCCCc1ccccc1Br 7a_100012092669_100015361967 [0,2,0,0,0,0|1,0,0]=3 38212 B14R1.882 FCOCCCOc1ccccc1Cl 34a_100000230521_100015361967 [0,2,0,0,0,0|2,0,0]=4 38213 B14R1.882 FCOCCCOc1ccccc1Cl 7a_100000230521_100015361967 [0,2,0,0,0,0|2,0,0]=4 38214 B14R1.882 FCOCCNCc1ccccc1Br 34a_106744479749_100015361967 [0,2,0,0,0,0|2,0,0]=4 38215 B14R1.882 FCOCCNCc1ccccc1Cl 34a_100015187164_100015361967 [0,2,0,0,0,0|2,0,0]=4 38216 B14R1.882 FCSCCCOc1ccccc1Br 62a_100015361967_200011259276 [0,2,0,0,0,0|2,0,0]=4 38217 B14R1.882 FCSCCCOc1ccccc1Br 62a_200011259276_100015361967 [0,2,0,0,0,0|2,0,0]=4 38218 B14R1.882 FCSCCCOc1ccccc1F 62a_100011203253_100015361967 [0,2,0,0,0,0|2,0,0]=4 38219 B14R1.882 FCSCCCOc1ccccc1F 62a_100015361967_100011203253 [0,2,0,0,0,0|2,0,0]=4 38220 B14R1.882 FCSCCCSc1ccccc1Cl 62a_100000750589_100015361967 [0,2,0,0,0,0|2,0,0]=4 38221 B14R1.882 FCSCCCSc1ccccc1Cl 62a_100015361967_100000750589 [0,2,0,0,0,0|2,0,0]=4 38222 B14R1.882 Fc1ccccc1CCOCCCBr 34a_100011217188_100000720011 [0,2,0,0,0,0|1,0,0]=3 38223 B14R1.882 Fc1ccccc1CCOCCCCl 34a_100000230001_100000720011 [0,2,0,0,0,0|1,0,0]=3 38224 B14R1.882 Fc1ccccc1COCCCCBr 34a_100011216708_100000211605 [0,2,0,0,0,0|1,0,0]=3 38225 B14R1.882 Fc1ccccc1COCCCCCl 34a_100000210776_100000211605 [0,2,0,0,0,0|1,0,0]=3 38226 B14R1.882 Fc1ccccc1COCCCCCl 7a_100000210776_100000211605 [0,2,0,0,0,0|1,0,0]=3 38227 B14R1.882 Fc1ccccc1COCCCCI 34a_200012148704_100000211605 [0,2,0,0,0,0|1,0,0]=3 38228 B14R1.882 Fc1ccccc1OCCOCCBr 34a_100000211926_100000183290 [0,2,0,0,0,0|2,0,0]=4 38229 B14R1.882 Fc1cccnc1COCCCCBr 34a_100011216708_100000104219 [0,2,0,0,0,0|2,0,0]=4 38230 B14R1.882 Fc1cccnc1COCCCCCl 34a_100000210776_100000104219 [0,2,0,0,0,0|2,0,0]=4 38231 B14R1.882 Fc1cccnc1COCCCCCl 7a_100000210776_100000104219 [0,2,0,0,0,0|2,0,0]=4 38232 B14R1.882 Fc1cccnc1COCCCCI 34a_200012148704_100000104219 [0,2,0,0,0,0|2,0,0]=4 38233 B14R1.882 Fc1ncccc1COCCCCBr 34a_100011216708_100000099810 [0,2,0,0,0,0|2,0,0]=4 38234 B14R1.882 Fc1ncccc1COCCCCCl 34a_100000210776_100000099810 [0,2,0,0,0,0|2,0,0]=4 38235 B14R1.882 Fc1ncccc1COCCCCCl 7a_100000210776_100000099810 [0,2,0,0,0,0|2,0,0]=4 38236 B14R1.882 Fc1ncccc1COCCCCI 34a_200012148704_100000099810 [0,2,0,0,0,0|2,0,0]=4 38237 B14R1.882 ICCCCOCc1ccccc1I 34a_200012148704_100011215278 [0,2,0,0,0,0|1,0,0]=3 38238 B14R1.882 N#CCCCCOc1ccccc1Br 7a_100000181306_100000211819 [0,2,0,0,0,0|1,0,1]=4 38239 B14R1.882 N#CCCCCOc1ccccc1Cl 7a_100000210172_100000211819 [0,2,0,0,0,0|1,0,1]=4 38240 B14R1.882 N#CCCCCOc1ccccc1F 7a_100000210171_100000211819 [0,2,0,0,0,0|1,0,1]=4 38241 B14R1.882 N#CCCCCOc1ccccc1I 7a_100000739446_100000211819 [0,2,0,0,0,0|1,0,1]=4 38242 B14R1.882 N#CCCCCOc1ccccc1N 7a_100000185747_100000211819 [0,2,0,0,0,0|1,0,1]=4 38243 B14R1.882 N#CCCCCSc1ccccc1Br 62a_100000695589_100000211819 [0,2,0,0,0,0|1,0,1]=4 38244 B14R1.882 N#CCCCCSc1ccccc1Br 62a_100011219923_100000695589 [0,2,0,0,0,0|1,0,1]=4 38245 B14R1.882 N#CCCCCSc1ccccc1Cl 62a_100000764095_100000211819 [0,2,0,0,0,0|1,0,1]=4 38246 B14R1.882 N#CCCCCSc1ccccc1Cl 62a_100011219923_100000764095 [0,2,0,0,0,0|1,0,1]=4 38247 B14R1.882 N#CCCCCSc1ccccc1F 62a_100011215700_100000211819 [0,2,0,0,0,0|1,0,1]=4 38248 B14R1.882 N#CCCCCSc1ccccc1F 62a_100011219923_100011215700 [0,2,0,0,0,0|1,0,1]=4 38249 B14R1.882 N#CCCCCSc1ccccc1N 62a_100000210017_100000211819 [0,2,0,0,0,0|1,0,1]=4 38250 B14R1.882 N#CCCCCSc1ccccc1N 62a_100011219923_100000210017 [0,2,0,0,0,0|1,0,1]=4 38251 B14R1.882 N#CCCCCSc1ccccc1O 62a_100000739446_100000211819 [0,2,0,0,0,0|1,0,1]=4 38252 B14R1.882 N#CCCCCSc1ccccc1O 62a_100011219923_100000739446 [0,2,0,0,0,0|1,0,1]=4 38253 B14R1.882 N#CCCCNCc1ccccc1Br 2230a_100000689332_100000687738 [0,2,0,0,0,0|1,0,1]=4 38254 B14R1.882 N#CCCCNCc1ccccc1Cl 2230a_100000174879_100000687738 [0,2,0,0,0,0|1,0,1]=4 38255 B14R1.882 N#CCCCOCc1ccccc1Br 7a_100000756307_100000687738 [0,2,0,0,0,0|1,0,1]=4 38256 B14R1.882 N#CCCCOCc1ccccc1Cl 7a_100000210847_100000687738 [0,2,0,0,0,0|1,0,1]=4 38257 B14R1.882 N#CCCCOCc1ccccc1F 7a_100000211962_100000687738 [0,2,0,0,0,0|1,0,1]=4 38258 B14R1.882 N#CCCCOCc1ccccc1I 7a_100000187465_100000687738 [0,2,0,0,0,0|1,0,1]=4 38259 B14R1.882 N#CCCCSCc1ccccc1Br 62a_100000184730_100000687738 [0,2,0,0,0,0|1,0,1]=4 38260 B14R1.882 N#CCCCSCc1ccccc1Br 62a_100000687738_100000184730 [0,2,0,0,0,0|1,0,1]=4 38261 B14R1.882 N#CCCCSCc1ccccc1Cl 62a_100000187162_100000687738 [0,2,0,0,0,0|1,0,1]=4 38262 B14R1.882 N#CCCCSCc1ccccc1Cl 62a_100000687738_100000187162 [0,2,0,0,0,0|1,0,1]=4 38263 B14R1.882 N#CCCCSCc1ccccc1F 62a_100000211605_100000687738 [0,2,0,0,0,0|1,0,1]=4 38264 B14R1.882 N#CCCCSCc1ccccc1F 62a_100000687738_100000211605 [0,2,0,0,0,0|1,0,1]=4 38265 B14R1.882 N#CCCCSCc1ccccc1I 62a_100000687738_100011216222 [0,2,0,0,0,0|1,0,1]=4 38266 B14R1.882 N#CCCCSCc1ccccc1I 62a_100011216222_100000687738 [0,2,0,0,0,0|1,0,1]=4 38267 B14R1.882 N#CCCNCCc1ccccc1Br 2230a_100000747383_100011215226 [0,2,0,0,0,0|1,0,1]=4 38268 B14R1.882 N#CCCNCCc1ccccc1Cl 2230a_100011207228_100011215226 [0,2,0,0,0,0|1,0,1]=4 38269 B14R1.882 N#CCCNCCc1ccccc1Cl 270004a_100000720768_200011713468 [0,2,0,0,0,0|1,0,1]=4 38270 B14R1.882 N#CCCNCCc1ccccc1F 2230a_100000185272_100011215226 [0,2,0,0,0,0|1,0,1]=4 38271 B14R1.882 N#CCCOCCc1ccccc1Br 7a_100000731337_100000184422 [0,2,0,0,0,0|1,0,1]=4 38272 B14R1.882 N#CCCOCCc1ccccc1Cl 7a_100011215284_100000184422 [0,2,0,0,0,0|1,0,1]=4 38273 B14R1.882 N#CCCOCCc1ccccc1F 7a_100000753711_100000184422 [0,2,0,0,0,0|1,0,1]=4 38274 B14R1.882 N#CCCOCCc1ccccc1I 7a_100010255290_100000184422 [0,2,0,0,0,0|1,0,1]=4 38275 B14R1.882 N#CCCSCCc1ccccc1Br 62a_100011215226_100012161201 [0,2,0,0,0,0|1,0,1]=4 38276 B14R1.882 N#CCCSCCc1ccccc1Br 62a_100012161201_100011215226 [0,2,0,0,0,0|1,0,1]=4 38277 B14R1.882 N#CCCSCCc1ccccc1Cl 62a_100011215226_100011713703 [0,2,0,0,0,0|1,0,1]=4 38278 B14R1.882 N#CCCSCCc1ccccc1Cl 62a_100011713703_100011215226 [0,2,0,0,0,0|1,0,1]=4 38279 B14R1.882 N#CCCSCCc1ccccc1F 62a_100011215226_100011713696 [0,2,0,0,0,0|1,0,1]=4 38280 B14R1.882 N#CCCSCCc1ccccc1F 62a_100011713696_100011215226 [0,2,0,0,0,0|1,0,1]=4 38281 B14R1.882 N#CCCSCCc1ccccc1O 62a_100000722297_100011215226 [0,2,0,0,0,0|1,0,1]=4 38282 B14R1.882 N#CCCSCCc1ccccc1O 62a_100011215226_100000722297 [0,2,0,0,0,0|1,0,1]=4 38283 B14R1.882 N#CCNCCCc1ccccc1F 2230a_100000724733_100011215382 [0,2,0,0,0,0|1,0,1]=4 38284 B14R1.882 N#CCOCCCc1ccccc1Br 7a_100000699526_100011215382 [0,2,0,0,0,0|1,0,1]=4 38285 B14R1.882 N#CCOCCCc1ccccc1Cl 7a_100011709251_100011215382 [0,2,0,0,0,0|1,0,1]=4 38286 B14R1.882 N#CCOCCCc1ccccc1F 7a_100011709249_100011215382 [0,2,0,0,0,0|1,0,1]=4 38287 B14R1.882 N#CCSCCCc1ccccc1Br 62a_100011215382_200011713681 [0,2,0,0,0,0|1,0,1]=4 38288 B14R1.882 N#CCSCCCc1ccccc1Br 62a_200011713681_100011215382 [0,2,0,0,0,0|1,0,1]=4 38289 B14R1.882 NCCCCOCc1ccccc1Br 34a_100000750430_100000184730 [0,2,0,0,0,0|1,0,0]=3 38290 B14R1.882 NCCCCOCc1ccccc1Cl 34a_100000750430_100000187162 [0,2,0,0,0,0|1,0,0]=3 38291 B14R1.882 NCCCCOCc1ccccc1F 34a_100000750430_100000211605 [0,2,0,0,0,0|1,0,0]=3 38292 B14R1.882 NCCCCOCc1ccccc1I 34a_100000750430_100011215278 [0,2,0,0,0,0|1,0,0]=3 38293 B14R1.882 NCCCCOCc1cccnc1Br 34a_100000750430_100010140945 [0,2,0,0,0,0|2,0,0]=4 38294 B14R1.882 NCCCCOCc1cccnc1Cl 34a_100000750430_100000045678 [0,2,0,0,0,0|2,0,0]=4 38295 B14R1.882 NCCCCOCc1cccnc1F 34a_100000750430_100000099810 [0,2,0,0,0,0|2,0,0]=4 38296 B14R1.882 NCCCCOCc1ncccc1Br 34a_100000750430_100025702911 [0,2,0,0,0,0|2,0,0]=4 38297 B14R1.882 NCCCCOCc1ncccc1F 34a_100000750430_100000104219 [0,2,0,0,0,0|2,0,0]=4 38298 B14R1.882 NCCCCOCc1ncccc1O 34a_100000750430_200020655725 [0,2,0,0,0,0|2,0,0]=4 38299 B14R1.882 NCCCOCCc1ccccc1Br 34a_100000182051_100012161201 [0,2,0,0,0,0|1,0,0]=3 38300 B14R1.882 NCCCOCCc1ccccc1Cl 34a_100000182051_100011713703 [0,2,0,0,0,0|1,0,0]=3 38301 B14R1.882 NCCCOCCc1ccccc1F 34a_100000182051_100000720011 [0,2,0,0,0,0|1,0,0]=3 38302 B14R1.882 NCCCOCCc1ccccc1O 34a_100000182051_100000722297 [0,2,0,0,0,0|1,0,0]=3 38303 B14R1.882 NCCOCCCc1ccccc1Br 34a_100000210304_200011713681 [0,2,0,0,0,0|1,0,0]=3 38304 B14R1.882 NCCOCCOc1ccccc1Br 34a_100000210304_100000695877 [0,2,0,0,0,0|2,0,0]=4 38305 B14R1.882 NCCOCCOc1ccccc1F 34a_100000210304_100000183290 [0,2,0,0,0,0|2,0,0]=4 38306 B14R1.882 NOCCOCCc1ccccc1Br 34a_100000700252_100012161201 [0,2,0,0,0,0|1,0,0]=3 38307 B14R1.882 NOCCOCCc1ccccc1Cl 34a_100000700252_100011713703 [0,2,0,0,0,0|1,0,0]=3 38308 B14R1.882 NOCCOCCc1ccccc1F 34a_100000700252_100000720011 [0,2,0,0,0,0|1,0,0]=3 38309 B14R1.882 NOCCOCCc1ccccc1O 34a_100000700252_100000722297 [0,2,0,0,0,0|1,0,0]=3 38310 B14R1.882 Nc1ccccc1CCOCCCF 34a_100011215289_100011934791 [0,2,0,0,0,0|1,0,0]=3 38311 B14R1.882 Nc1ccccc1CCOCCCO 34a_100011215289_100000230001 [0,2,0,0,0,0|0,0,0]=2 38312 B14R1.882 Nc1ccccc1COCC#CCO 34a_100000212039_200000047223 [0,2,0,0,0,0|0,0,2]=4 38313 B14R1.882 Nc1ccccc1COCCCCF 34a_100000212039_100000729493 [0,2,0,0,0,0|1,0,0]=3 38314 B14R1.882 Nc1ccccc1COCCCCO 34a_100000212039_100011216708 [0,2,0,0,0,0|0,0,0]=2 38315 B14R1.882 Nc1ccccc1NCCOCCF 34a_100000683943_100011217306 [0,2,0,0,0,0|2,0,0]=4 38316 B14R1.882 Nc1ccccc1NCCOCCO 34a_100000683943_100000211926 [0,2,0,0,0,0|1,0,0]=3 38317 B14R1.882 Nc1ccccc1OCCCCC=O 7a_100000185747_100000139335 [0,2,0,0,0,0|0,0,2]=4 38318 B14R1.882 Nc1ccccc1OCCCCCF 34a_100000185747_100000729378 [0,2,0,0,0,0|1,0,0]=3 38319 B14R1.882 Nc1ccccc1OCCCCCF 7a_100000185747_100000729378 [0,2,0,0,0,0|1,0,0]=3 38320 B14R1.882 Nc1ccccc1OCCCCCO 34a_100000185747_100000746330 [0,2,0,0,0,0|0,0,0]=2 38321 B14R1.882 Nc1ccccc1OCCCCCO 7a_100000185747_100000746330 [0,2,0,0,0,0|0,0,0]=2 38322 B14R1.882 Nc1ccccc1OCCOCCF 34a_100132302172_100011217306 [0,2,0,0,0,0|2,0,0]=4 38323 B14R1.882 Nc1ccccc1OCCOCCO 34a_100000185747_100000692535 [0,2,0,0,0,0|1,0,0]=3 38324 B14R1.882 Nc1ccccc1OCCOCCO 34a_100132302172_100000211926 [0,2,0,0,0,0|1,0,0]=3 38325 B14R1.882 Nc1ccccc1OCCOCCO 7a_100000185747_100011215305 [0,2,0,0,0,0|1,0,0]=3 38326 B14R1.882 Nc1ccccc1SCCCCC=O 62a_100000139335_100000210017 [0,2,0,0,0,0|0,0,2]=4 38327 B14R1.882 Nc1ccccc1SCCCCC=O 62a_100000210017_100000139335 [0,2,0,0,0,0|0,0,2]=4 38328 B14R1.882 Nc1ccccc1SCCCCCF 62a_100000210017_100000729378 [0,2,0,0,0,0|1,0,0]=3 38329 B14R1.882 Nc1ccccc1SCCCCCF 62a_100000729378_100000210017 [0,2,0,0,0,0|1,0,0]=3 38330 B14R1.882 Nc1ccccc1SCCCCCO 62a_100000210017_100000746330 [0,2,0,0,0,0|0,0,0]=2 38331 B14R1.882 Nc1ccccc1SCCCCCO 62a_100000746330_100000210017 [0,2,0,0,0,0|0,0,0]=2 38332 B14R1.882 Nc1ccccc1SCCOCCO 62a_100000210017_100011215305 [0,2,0,0,0,0|1,0,0]=3 38333 B14R1.882 Nc1ccccc1SCCOCCO 62a_100011215305_100000210017 [0,2,0,0,0,0|1,0,0]=3 38334 B14R1.882 Nc1cccnc1COCCCCF 34a_114873767017_100000729493 [0,2,0,0,0,0|2,0,0]=4 38335 B14R1.882 Nc1cccnc1COCCCCO 34a_114873767017_100011216708 [0,2,0,0,0,0|1,0,0]=3 38336 B14R1.882 Nc1cccnc1OCCCCCF 34a_100000746358_100000729378 [0,2,0,0,0,0|2,0,0]=4 38337 B14R1.882 Nc1cccnc1OCCCCCO 34a_100000746358_100000746330 [0,2,0,0,0,0|1,0,0]=3 38338 B14R1.882 Nc1cccnc1OCCOCCO 34a_100000746358_100000692535 [0,2,0,0,0,0|2,0,0]=4 38339 B14R1.882 Nc1cccnc1SCCCCCF 62a_100000688686_100000729378 [0,2,0,0,0,0|2,0,0]=4 38340 B14R1.882 Nc1cccnc1SCCCCCF 62a_100000729378_100000688686 [0,2,0,0,0,0|2,0,0]=4 38341 B14R1.882 Nc1cccnc1SCCCCCO 62a_100000688686_100000746330 [0,2,0,0,0,0|1,0,0]=3 38342 B14R1.882 Nc1cccnc1SCCCCCO 62a_100000746330_100000688686 [0,2,0,0,0,0|1,0,0]=3 38343 B14R1.882 Nc1cccnc1SCCOCCO 62a_100000688686_100011215305 [0,2,0,0,0,0|2,0,0]=4 38344 B14R1.882 Nc1cccnc1SCCOCCO 62a_100011215305_100000688686 [0,2,0,0,0,0|2,0,0]=4 38345 B14R1.882 Nc1ccncc1OCCCCCF 34a_100000753702_100000729378 [0,2,0,0,0,0|2,0,0]=4 38346 B14R1.882 Nc1ccncc1OCCCCCO 34a_100000753702_100000746330 [0,2,0,0,0,0|1,0,0]=3 38347 B14R1.882 Nc1ccncc1OCCOCCO 34a_100000753702_100000692535 [0,2,0,0,0,0|2,0,0]=4 38348 B14R1.882 Nc1ccncc1SCCCCCF 62a_100000047001_100000729378 [0,2,0,0,0,0|2,0,0]=4 38349 B14R1.882 Nc1ccncc1SCCCCCF 62a_100000729378_100000047001 [0,2,0,0,0,0|2,0,0]=4 38350 B14R1.882 Nc1ccncc1SCCCCCO 62a_100000047001_100000746330 [0,2,0,0,0,0|1,0,0]=3 38351 B14R1.882 Nc1ccncc1SCCCCCO 62a_100000746330_100000047001 [0,2,0,0,0,0|1,0,0]=3 38352 B14R1.882 Nc1ccncc1SCCOCCO 62a_100000047001_100011215305 [0,2,0,0,0,0|2,0,0]=4 38353 B14R1.882 Nc1ccncc1SCCOCCO 62a_100011215305_100000047001 [0,2,0,0,0,0|2,0,0]=4 38354 B14R1.882 Nc1cnccc1SCCCCCF 62a_100000729378_100000756074 [0,2,0,0,0,0|2,0,0]=4 38355 B14R1.882 Nc1cnccc1SCCCCCF 62a_100000756074_100000729378 [0,2,0,0,0,0|2,0,0]=4 38356 B14R1.882 Nc1cnccc1SCCCCCO 62a_100000746330_100000756074 [0,2,0,0,0,0|1,0,0]=3 38357 B14R1.882 Nc1cnccc1SCCCCCO 62a_100000756074_100000746330 [0,2,0,0,0,0|1,0,0]=3 38358 B14R1.882 Nc1cnccc1SCCOCCO 62a_100000756074_100011215305 [0,2,0,0,0,0|2,0,0]=4 38359 B14R1.882 Nc1cnccc1SCCOCCO 62a_100011215305_100000756074 [0,2,0,0,0,0|2,0,0]=4 38360 B14R1.882 Nc1cncnc1NCCCCCO 27a_100000762737_100000709731 [0,2,0,0,0,0|2,0,0]=4 38361 B14R1.882 Nc1cncnc1SCCCCCO 62a_100000709731_100000746330 [0,2,0,0,0,0|2,0,0]=4 38362 B14R1.882 Nc1cncnc1SCCCCCO 62a_100000746330_100000709731 [0,2,0,0,0,0|2,0,0]=4 38363 B14R1.882 Nc1cnncc1SCCCCCO 62a_100000746330_100009829405 [0,2,0,0,0,0|2,0,0]=4 38364 B14R1.882 Nc1cnncc1SCCCCCO 62a_100009829405_100000746330 [0,2,0,0,0,0|2,0,0]=4 38365 B14R1.882 Nc1ncccc1OCCCCCF 34a_100000211975_100000729378 [0,2,0,0,0,0|2,0,0]=4 38366 B14R1.882 Nc1ncccc1OCCCCCF 7a_100000211975_100000729378 [0,2,0,0,0,0|2,0,0]=4 38367 B14R1.882 Nc1ncccc1OCCCCCO 34a_100000211975_100000746330 [0,2,0,0,0,0|1,0,0]=3 38368 B14R1.882 Nc1ncccc1OCCCCCO 7a_100000211975_100000746330 [0,2,0,0,0,0|1,0,0]=3 38369 B14R1.882 Nc1ncccc1OCCOCCO 34a_100000211975_100000692535 [0,2,0,0,0,0|2,0,0]=4 38370 B14R1.882 Nc1ncccc1OCCOCCO 7a_100000211975_100011215305 [0,2,0,0,0,0|2,0,0]=4 38371 B14R1.882 Nc1ncccc1SCCCCCF 62a_100000045569_100000729378 [0,2,0,0,0,0|2,0,0]=4 38372 B14R1.882 Nc1ncccc1SCCCCCF 62a_100000729378_100000045569 [0,2,0,0,0,0|2,0,0]=4 38373 B14R1.882 Nc1ncccc1SCCCCCO 62a_100000045569_100000746330 [0,2,0,0,0,0|1,0,0]=3 38374 B14R1.882 Nc1ncccc1SCCCCCO 62a_100000746330_100000045569 [0,2,0,0,0,0|1,0,0]=3 38375 B14R1.882 Nc1ncccc1SCCOCCO 62a_100000045569_100011215305 [0,2,0,0,0,0|2,0,0]=4 38376 B14R1.882 Nc1ncccc1SCCOCCO 62a_100011215305_100000045569 [0,2,0,0,0,0|2,0,0]=4 38377 B14R1.882 Nc1nccnc1SCCCCCO 62a_100000746330_100000747729 [0,2,0,0,0,0|2,0,0]=4 38378 B14R1.882 Nc1nccnc1SCCCCCO 62a_100000747729_100000746330 [0,2,0,0,0,0|2,0,0]=4 38379 B14R1.882 Nc1ncncc1OCCCCCO 7a_100000112926_100000746330 [0,2,0,0,0,0|2,0,0]=4 38380 B14R1.882 Nc1ncncc1SCCCCCO 62a_100000746330_100011996079 [0,2,0,0,0,0|2,0,0]=4 38381 B14R1.882 Nc1ncncc1SCCCCCO 62a_100011996079_100000746330 [0,2,0,0,0,0|2,0,0]=4 38382 B14R1.882 O=CCCCCOc1ccccc1Br 7a_100000181306_100000139335 [0,2,0,0,0,0|0,0,2]=4 38383 B14R1.882 O=CCCCCOc1ccccc1Cl 7a_100000210172_100000139335 [0,2,0,0,0,0|0,0,2]=4 38384 B14R1.882 O=CCCCCOc1ccccc1F 7a_100000210171_100000139335 [0,2,0,0,0,0|0,0,2]=4 38385 B14R1.882 O=CCCCCOc1ccccc1I 7a_100000739446_100000139335 [0,2,0,0,0,0|0,0,2]=4 38386 B14R1.882 O=CCCCCSc1ccccc1Br 62a_100000139335_100000695589 [0,2,0,0,0,0|0,0,2]=4 38387 B14R1.882 O=CCCCCSc1ccccc1Br 62a_100000695589_100000139335 [0,2,0,0,0,0|0,0,2]=4 38388 B14R1.882 O=CCCCCSc1ccccc1Cl 62a_100000139335_100000764095 [0,2,0,0,0,0|0,0,2]=4 38389 B14R1.882 O=CCCCCSc1ccccc1Cl 62a_100000764095_100000139335 [0,2,0,0,0,0|0,0,2]=4 38390 B14R1.882 O=CCCCCSc1ccccc1F 62a_100000139335_100011215700 [0,2,0,0,0,0|0,0,2]=4 38391 B14R1.882 O=CCCCCSc1ccccc1F 62a_100011215700_100000139335 [0,2,0,0,0,0|0,0,2]=4 38392 B14R1.882 O=CCCCCSc1ccccc1O 62a_100000139335_100000739446 [0,2,0,0,0,0|0,0,2]=4 38393 B14R1.882 O=CCCCCSc1ccccc1O 62a_100000739446_100000139335 [0,2,0,0,0,0|0,0,2]=4 38394 B14R1.882 O=CCCCNCc1ccccc1Br 2230a_100000689332_200011292268 [0,2,0,0,0,0|0,0,2]=4 38395 B14R1.882 O=CCCCNCc1ccccc1Cl 2230a_100000174879_200011292268 [0,2,0,0,0,0|0,0,2]=4 38396 B14R1.882 O=CCCCOCc1ccccc1Br 7a_100000756307_200011292268 [0,2,0,0,0,0|0,0,2]=4 38397 B14R1.882 O=CCCCOCc1ccccc1Cl 7a_100000210847_200011292268 [0,2,0,0,0,0|0,0,2]=4 38398 B14R1.882 O=CCCCOCc1ccccc1F 7a_100000211962_200011292268 [0,2,0,0,0,0|0,0,2]=4 38399 B14R1.882 O=CCCCOCc1ccccc1I 7a_100000187465_200011292268 [0,2,0,0,0,0|0,0,2]=4 38400 B14R1.882 O=CCCCSCc1ccccc1Br 62a_100000184730_200011292268 [0,2,0,0,0,0|0,0,2]=4 38401 B14R1.882 O=CCCCSCc1ccccc1Br 62a_200011292268_100000184730 [0,2,0,0,0,0|0,0,2]=4 38402 B14R1.882 O=CCCCSCc1ccccc1Cl 62a_100000187162_200011292268 [0,2,0,0,0,0|0,0,2]=4 38403 B14R1.882 O=CCCCSCc1ccccc1Cl 62a_200011292268_100000187162 [0,2,0,0,0,0|0,0,2]=4 38404 B14R1.882 O=CCCCSCc1ccccc1F 62a_100000211605_200011292268 [0,2,0,0,0,0|0,0,2]=4 38405 B14R1.882 O=CCCCSCc1ccccc1F 62a_200011292268_100000211605 [0,2,0,0,0,0|0,0,2]=4 38406 B14R1.882 O=CCCCSCc1ccccc1I 62a_100011216222_200011292268 [0,2,0,0,0,0|0,0,2]=4 38407 B14R1.882 O=CCCCSCc1ccccc1I 62a_200011292268_100011216222 [0,2,0,0,0,0|0,0,2]=4 38408 B14R1.882 O=CCNCCCc1ccccc1F 2230a_100000724733_200015260668 [0,2,0,0,0,0|0,0,2]=4 38409 B14R1.882 O=CCNCCCc1ccccc1F 34a_100000724733_200009817547 [0,2,0,0,0,0|0,0,2]=4 38410 B14R1.882 O=CCOCCCc1ccccc1Br 34a_100000699526_200009817547 [0,2,0,0,0,0|0,0,2]=4 38411 B14R1.882 O=CCOCCCc1ccccc1Br 7a_100000699526_200015260668 [0,2,0,0,0,0|0,0,2]=4 38412 B14R1.882 O=CCOCCCc1ccccc1Cl 34a_100011709251_200009817547 [0,2,0,0,0,0|0,0,2]=4 38413 B14R1.882 O=CCOCCCc1ccccc1Cl 7a_100011709251_200015260668 [0,2,0,0,0,0|0,0,2]=4 38414 B14R1.882 O=CCOCCCc1ccccc1F 34a_100011709249_200009817547 [0,2,0,0,0,0|0,0,2]=4 38415 B14R1.882 O=CCOCCCc1ccccc1F 7a_100011709249_200015260668 [0,2,0,0,0,0|0,0,2]=4 38416 B14R1.882 O=CCSCCCc1ccccc1Br 62a_200011713681_200015260668 [0,2,0,0,0,0|0,0,2]=4 38417 B14R1.882 O=CCSCCCc1ccccc1Br 62a_200015260668_200011713681 [0,2,0,0,0,0|0,0,2]=4 38418 B14R1.882 O=c1[nH]ccnc1SCCCCCO 62a_100000746330_100000763361 [0,2,0,0,0,0|2,0,0]=4 38419 B14R1.882 O=c1[nH]nccc1NCCCCCO 27a_100000762737_100000087129 [0,2,0,0,0,0|2,0,0]=4 38420 B14R1.882 O=c1[nH]nccc1SCCCCCO 62a_100000746330_100000087129 [0,2,0,0,0,0|2,0,0]=4 38421 B14R1.882 O=c1cc[nH]cc1SCCCCCF 62a_100000729378_100009998708 [0,2,0,0,0,0|2,0,0]=4 38422 B14R1.882 O=c1cc[nH]cc1SCCCCCF 62a_100009998708_100000729378 [0,2,0,0,0,0|2,0,0]=4 38423 B14R1.882 O=c1cc[nH]cc1SCCCCCO 62a_100000746330_100009998708 [0,2,0,0,0,0|1,0,0]=3 38424 B14R1.882 O=c1cc[nH]cc1SCCCCCO 62a_100009998708_100000746330 [0,2,0,0,0,0|1,0,0]=3 38425 B14R1.882 O=c1cc[nH]cc1SCCOCCO 62a_100009998708_100011215305 [0,2,0,0,0,0|2,0,0]=4 38426 B14R1.882 O=c1cc[nH]cc1SCCOCCO 62a_100011215305_100009998708 [0,2,0,0,0,0|2,0,0]=4 38427 B14R1.882 O=c1ccccn1CCNCCCF 2230a_100000687133_100011934791 [0,2,0,0,0,0|2,0,0]=4 38428 B14R1.882 O=c1ccccn1CCNCCCO 2230a_100000687133_100000230001 [0,2,0,0,0,0|1,0,0]=3 38429 B14R1.882 O=c1ccocc1OCCCCCF 34a_100000060831_100000729378 [0,2,0,0,0,0|2,0,0]=4 38430 B14R1.882 O=c1ccocc1OCCCCCO 34a_100000060831_100000746330 [0,2,0,0,0,0|1,0,0]=3 38431 B14R1.882 O=c1ccocc1OCCOCCO 34a_100000060831_100000692535 [0,2,0,0,0,0|2,0,0]=4 38432 B14R1.882 O=c1occcc1OCCCCCF 34a_100000077404_100000729378 [0,2,0,0,0,0|2,0,0]=4 38433 B14R1.882 O=c1occcc1OCCCCCF 7a_100000077404_100000729378 [0,2,0,0,0,0|2,0,0]=4 38434 B14R1.882 O=c1occcc1OCCCCCO 34a_100000077404_100000746330 [0,2,0,0,0,0|1,0,0]=3 38435 B14R1.882 O=c1occcc1OCCCCCO 7a_100000077404_100000746330 [0,2,0,0,0,0|1,0,0]=3 38436 B14R1.882 O=c1occcc1OCCOCCO 34a_100000077404_100000692535 [0,2,0,0,0,0|2,0,0]=4 38437 B14R1.882 O=c1occcc1OCCOCCO 7a_100000077404_100011215305 [0,2,0,0,0,0|2,0,0]=4 38438 B14R1.882 OCC#CCNCc1ccccc1Br 2230a_100000689332_200000047223 [0,2,0,0,0,0|0,0,2]=4 38439 B14R1.882 OCC#CCNCc1ccccc1Br 34a_100000689332_200000047223 [0,2,0,0,0,0|0,0,2]=4 38440 B14R1.882 OCC#CCNCc1ccccc1Cl 2230a_100000174879_200000047223 [0,2,0,0,0,0|0,0,2]=4 38441 B14R1.882 OCC#CCNCc1ccccc1Cl 34a_100000174879_200000047223 [0,2,0,0,0,0|0,0,2]=4 38442 B14R1.882 OCC#CCNCc1ccccc1F 34a_100000174869_200000047223 [0,2,0,0,0,0|0,0,2]=4 38443 B14R1.882 OCC#CCNCc1ccccc1O 34a_100000185550_200000047223 [0,2,0,0,0,0|0,0,2]=4 38444 B14R1.882 OCC#CCOCc1ccccc1Br 34a_100000756307_200000047223 [0,2,0,0,0,0|0,0,2]=4 38445 B14R1.882 OCC#CCOCc1ccccc1Br 7a_100000756307_200000047223 [0,2,0,0,0,0|0,0,2]=4 38446 B14R1.882 OCC#CCOCc1ccccc1Cl 34a_100000210847_200000047223 [0,2,0,0,0,0|0,0,2]=4 38447 B14R1.882 OCC#CCOCc1ccccc1Cl 7a_100000210847_200000047223 [0,2,0,0,0,0|0,0,2]=4 38448 B14R1.882 OCC#CCOCc1ccccc1F 34a_100000211962_200000047223 [0,2,0,0,0,0|0,0,2]=4 38449 B14R1.882 OCC#CCOCc1ccccc1F 7a_100000211962_200000047223 [0,2,0,0,0,0|0,0,2]=4 38450 B14R1.882 OCC#CCOCc1ccccc1I 34a_100000187465_200000047223 [0,2,0,0,0,0|0,0,2]=4 38451 B14R1.882 OCC#CCOCc1ccccc1I 7a_100000187465_200000047223 [0,2,0,0,0,0|0,0,2]=4 38452 B14R1.882 OCC#CCSCc1ccccc1Br 62a_100000184730_200000047223 [0,2,0,0,0,0|0,0,2]=4 38453 B14R1.882 OCC#CCSCc1ccccc1Br 62a_200000047223_100000184730 [0,2,0,0,0,0|0,0,2]=4 38454 B14R1.882 OCC#CCSCc1ccccc1Cl 62a_100000187162_200000047223 [0,2,0,0,0,0|0,0,2]=4 38455 B14R1.882 OCC#CCSCc1ccccc1Cl 62a_200000047223_100000187162 [0,2,0,0,0,0|0,0,2]=4 38456 B14R1.882 OCC#CCSCc1ccccc1F 62a_100000211605_200000047223 [0,2,0,0,0,0|0,0,2]=4 38457 B14R1.882 OCC#CCSCc1ccccc1F 62a_200000047223_100000211605 [0,2,0,0,0,0|0,0,2]=4 38458 B14R1.882 OCC#CCSCc1ccccc1I 62a_100011216222_200000047223 [0,2,0,0,0,0|0,0,2]=4 38459 B14R1.882 OCC#CCSCc1ccccc1I 62a_200000047223_100011216222 [0,2,0,0,0,0|0,0,2]=4 38460 B14R1.882 OCCCCCNc1ccccc1Br 34a_100000210017_100000746330 [0,2,0,0,0,0|0,0,0]=2 38461 B14R1.882 OCCCCCNc1ccccc1Cl 34a_100000185783_100000746330 [0,2,0,0,0,0|0,0,0]=2 38462 B14R1.882 OCCCCCNc1ccccc1F 34a_100000210422_100000746330 [0,2,0,0,0,0|0,0,0]=2 38463 B14R1.882 OCCCCCNc1ccccc1I 34a_100000210053_100000746330 [0,2,0,0,0,0|0,0,0]=2 38464 B14R1.882 OCCCCCNc1ccccc1O 34a_100000185747_100000746330 [0,2,0,0,0,0|0,0,0]=2 38465 B14R1.882 OCCCCCNc1ccncc1Br 27a_100000762737_100000726257 [0,2,0,0,0,0|1,0,0]=3 38466 B14R1.882 OCCCCCNc1ccncc1F 27a_100000762737_100000035921 [0,2,0,0,0,0|1,0,0]=3 38467 B14R1.882 OCCCCCNc1ncccc1Br 27a_100000762737_100000696092 [0,2,0,0,0,0|1,0,0]=3 38468 B14R1.882 OCCCCCNc1nccnc1F 27a_100000762737_200010125657 [0,2,0,0,0,0|2,0,0]=4 38469 B14R1.882 OCCCCCNc1ncncc1F 27a_100000762737_100000069762 [0,2,0,0,0,0|2,0,0]=4 38470 B14R1.882 OCCCCCOc1ccccc1Br 34a_100000181306_100000746330 [0,2,0,0,0,0|0,0,0]=2 38471 B14R1.882 OCCCCCOc1ccccc1Br 7a_100000181306_100000746330 [0,2,0,0,0,0|0,0,0]=2 38472 B14R1.882 OCCCCCOc1ccccc1Cl 34a_100000210172_100000746330 [0,2,0,0,0,0|0,0,0]=2 38473 B14R1.882 OCCCCCOc1ccccc1Cl 7a_100000210172_100000746330 [0,2,0,0,0,0|0,0,0]=2 38474 B14R1.882 OCCCCCOc1ccccc1F 34a_100000210171_100000746330 [0,2,0,0,0,0|0,0,0]=2 38475 B14R1.882 OCCCCCOc1ccccc1F 7a_100000210171_100000746330 [0,2,0,0,0,0|0,0,0]=2 38476 B14R1.882 OCCCCCOc1ccccc1I 34a_100000739446_100000746330 [0,2,0,0,0,0|0,0,0]=2 38477 B14R1.882 OCCCCCOc1ccccc1I 7a_100000739446_100000746330 [0,2,0,0,0,0|0,0,0]=2 38478 B14R1.882 OCCCCCOc1cccnc1Br 34a_100000744436_100000746330 [0,2,0,0,0,0|1,0,0]=3 38479 B14R1.882 OCCCCCOc1cccnc1Br 7a_100000744436_100000746330 [0,2,0,0,0,0|1,0,0]=3 38480 B14R1.882 OCCCCCOc1cccnc1Cl 34a_100000757616_100000746330 [0,2,0,0,0,0|1,0,0]=3 38481 B14R1.882 OCCCCCOc1cccnc1Cl 7a_100000757616_100000746330 [0,2,0,0,0,0|1,0,0]=3 38482 B14R1.882 OCCCCCOc1cccnc1F 34a_100000061740_100000746330 [0,2,0,0,0,0|1,0,0]=3 38483 B14R1.882 OCCCCCOc1cccnc1F 7a_100000061740_100000746330 [0,2,0,0,0,0|1,0,0]=3 38484 B14R1.882 OCCCCCOc1cccnc1I 34a_100000034122_100000746330 [0,2,0,0,0,0|1,0,0]=3 38485 B14R1.882 OCCCCCOc1cccnc1I 7a_100000034122_100000746330 [0,2,0,0,0,0|1,0,0]=3 38486 B14R1.882 OCCCCCOc1ccncc1Br 34a_100011996408_100000746330 [0,2,0,0,0,0|1,0,0]=3 38487 B14R1.882 OCCCCCOc1ccncc1Cl 34a_100011997054_100000746330 [0,2,0,0,0,0|1,0,0]=3 38488 B14R1.882 OCCCCCOc1ccncc1F 34a_200000081243_100000746330 [0,2,0,0,0,0|1,0,0]=3 38489 B14R1.882 OCCCCCOc1cnccc1Cl 34a_100011996695_100000746330 [0,2,0,0,0,0|1,0,0]=3 38490 B14R1.882 OCCCCCOc1cnccc1I 34a_100000050107_100000746330 [0,2,0,0,0,0|1,0,0]=3 38491 B14R1.882 OCCCCCOc1ncccc1Cl 34a_100011290957_100000746330 [0,2,0,0,0,0|1,0,0]=3 38492 B14R1.882 OCCCCCOc1ncccc1F 34a_100011219419_100000746330 [0,2,0,0,0,0|1,0,0]=3 38493 B14R1.882 OCCCCCSc1c[nH]ccc1=S 62a_100000746330_200012280681 [0,2,0,0,0,0|1,0,0]=3 38494 B14R1.882 OCCCCCSc1c[nH]ccc1=S 62a_200012280681_100000746330 [0,2,0,0,0,0|1,0,0]=3 38495 B14R1.882 OCCCCCSc1ccccc1Br 62a_100000695589_100000746330 [0,2,0,0,0,0|0,0,0]=2 38496 B14R1.882 OCCCCCSc1ccccc1Br 62a_100000746330_100000695589 [0,2,0,0,0,0|0,0,0]=2 38497 B14R1.882 OCCCCCSc1ccccc1Cl 62a_100000746330_100000764095 [0,2,0,0,0,0|0,0,0]=2 38498 B14R1.882 OCCCCCSc1ccccc1Cl 62a_100000764095_100000746330 [0,2,0,0,0,0|0,0,0]=2 38499 B14R1.882 OCCCCCSc1ccccc1F 62a_100000746330_100011215700 [0,2,0,0,0,0|0,0,0]=2 38500 B14R1.882 OCCCCCSc1ccccc1F 62a_100011215700_100000746330 [0,2,0,0,0,0|0,0,0]=2 38501 B14R1.882 OCCCCCSc1ccccc1O 62a_100000739446_100000746330 [0,2,0,0,0,0|0,0,0]=2 38502 B14R1.882 OCCCCCSc1ccccc1O 62a_100000746330_100000739446 [0,2,0,0,0,0|0,0,0]=2 38503 B14R1.882 OCCCCCSc1cccnc1Br 62a_100000746330_100010202626 [0,2,0,0,0,0|1,0,0]=3 38504 B14R1.882 OCCCCCSc1cccnc1Br 62a_100010202626_100000746330 [0,2,0,0,0,0|1,0,0]=3 38505 B14R1.882 OCCCCCSc1cccnc1Cl 62a_100000036424_100000746330 [0,2,0,0,0,0|1,0,0]=3 38506 B14R1.882 OCCCCCSc1cccnc1Cl 62a_100000746330_100000036424 [0,2,0,0,0,0|1,0,0]=3 38507 B14R1.882 OCCCCCSc1cccnc1F 62a_100000746330_100009816115 [0,2,0,0,0,0|1,0,0]=3 38508 B14R1.882 OCCCCCSc1cccnc1F 62a_100009816115_100000746330 [0,2,0,0,0,0|1,0,0]=3 38509 B14R1.882 OCCCCCSc1cccnc1O 62a_100000746330_100000760158 [0,2,0,0,0,0|1,0,0]=3 38510 B14R1.882 OCCCCCSc1cccnc1O 62a_100000760158_100000746330 [0,2,0,0,0,0|1,0,0]=3 38511 B14R1.882 OCCCCCSc1ccncc1Br 62a_100000726257_100000746330 [0,2,0,0,0,0|1,0,0]=3 38512 B14R1.882 OCCCCCSc1ccncc1Br 62a_100000746330_100000726257 [0,2,0,0,0,0|1,0,0]=3 38513 B14R1.882 OCCCCCSc1ccncc1Cl 62a_100000708259_100000746330 [0,2,0,0,0,0|1,0,0]=3 38514 B14R1.882 OCCCCCSc1ccncc1Cl 62a_100000746330_100000708259 [0,2,0,0,0,0|1,0,0]=3 38515 B14R1.882 OCCCCCSc1ccncc1F 62a_100000047030_100000746330 [0,2,0,0,0,0|1,0,0]=3 38516 B14R1.882 OCCCCCSc1ccncc1F 62a_100000746330_100000047030 [0,2,0,0,0,0|1,0,0]=3 38517 B14R1.882 OCCCCCSc1ccncc1O 62a_100000746330_100009817591 [0,2,0,0,0,0|1,0,0]=3 38518 B14R1.882 OCCCCCSc1ccncc1O 62a_100009817591_100000746330 [0,2,0,0,0,0|1,0,0]=3 38519 B14R1.882 OCCCCCSc1cnccc1Br 62a_100000746330_100010138639 [0,2,0,0,0,0|1,0,0]=3 38520 B14R1.882 OCCCCCSc1cnccc1Br 62a_100010138639_100000746330 [0,2,0,0,0,0|1,0,0]=3 38521 B14R1.882 OCCCCCSc1cnccc1Cl 62a_100000746330_100009995489 [0,2,0,0,0,0|1,0,0]=3 38522 B14R1.882 OCCCCCSc1cnccc1Cl 62a_100009995489_100000746330 [0,2,0,0,0,0|1,0,0]=3 38523 B14R1.882 OCCCCCSc1cnccc1F 62a_100000746330_100009820683 [0,2,0,0,0,0|1,0,0]=3 38524 B14R1.882 OCCCCCSc1cnccc1F 62a_100009820683_100000746330 [0,2,0,0,0,0|1,0,0]=3 38525 B14R1.882 OCCCCCSc1cncnc1Br 62a_100000746330_200012461658 [0,2,0,0,0,0|2,0,0]=4 38526 B14R1.882 OCCCCCSc1cncnc1Br 62a_200012461658_100000746330 [0,2,0,0,0,0|2,0,0]=4 38527 B14R1.882 OCCCCCSc1cncnc1Cl 62a_100000746330_100000758962 [0,2,0,0,0,0|2,0,0]=4 38528 B14R1.882 OCCCCCSc1cncnc1Cl 62a_100000758962_100000746330 [0,2,0,0,0,0|2,0,0]=4 38529 B14R1.882 OCCCCCSc1cncnc1O 62a_100000746330_100000751107 [0,2,0,0,0,0|2,0,0]=4 38530 B14R1.882 OCCCCCSc1cncnc1O 62a_100000751107_100000746330 [0,2,0,0,0,0|2,0,0]=4 38531 B14R1.882 OCCCCCSc1ncccc1Br 62a_100000696092_100000746330 [0,2,0,0,0,0|1,0,0]=3 38532 B14R1.882 OCCCCCSc1ncccc1Br 62a_100000746330_100000696092 [0,2,0,0,0,0|1,0,0]=3 38533 B14R1.882 OCCCCCSc1ncccc1Cl 62a_100000746330_100011356963 [0,2,0,0,0,0|1,0,0]=3 38534 B14R1.882 OCCCCCSc1ncccc1Cl 62a_100011356963_100000746330 [0,2,0,0,0,0|1,0,0]=3 38535 B14R1.882 OCCCCCSc1ncccc1F 62a_100000685392_100000746330 [0,2,0,0,0,0|1,0,0]=3 38536 B14R1.882 OCCCCCSc1ncccc1F 62a_100000746330_100000685392 [0,2,0,0,0,0|1,0,0]=3 38537 B14R1.882 OCCCCCSc1ncccc1O 62a_100000034122_100000746330 [0,2,0,0,0,0|1,0,0]=3 38538 B14R1.882 OCCCCCSc1ncccc1O 62a_100000746330_100000034122 [0,2,0,0,0,0|1,0,0]=3 38539 B14R1.882 OCCCCCSc1nccnc1Cl 62a_100000746330_100010886584 [0,2,0,0,0,0|2,0,0]=4 38540 B14R1.882 OCCCCCSc1nccnc1Cl 62a_100010886584_100000746330 [0,2,0,0,0,0|2,0,0]=4 38541 B14R1.882 OCCCCCSc1nccnc1F 62a_100000746330_200010125657 [0,2,0,0,0,0|2,0,0]=4 38542 B14R1.882 OCCCCCSc1nccnc1F 62a_200010125657_100000746330 [0,2,0,0,0,0|2,0,0]=4 38543 B14R1.882 OCCCCCSc1ncncc1F 62a_100000069762_100000746330 [0,2,0,0,0,0|2,0,0]=4 38544 B14R1.882 OCCCCCSc1ncncc1F 62a_100000746330_100000069762 [0,2,0,0,0,0|2,0,0]=4 38545 B14R1.882 OCCCCNCc1ccccc1Br 207a_100000750430_100000211189 [0,2,0,0,0,0|0,0,0]=2 38546 B14R1.882 OCCCCNCc1ccccc1Br 2230a_100000689332_100000210776 [0,2,0,0,0,0|0,0,0]=2 38547 B14R1.882 OCCCCNCc1ccccc1Br 2230a_100000750430_100000184730 [0,2,0,0,0,0|0,0,0]=2 38548 B14R1.882 OCCCCNCc1ccccc1Br 270004a_100000750430_100000211189 [0,2,0,0,0,0|0,0,0]=2 38549 B14R1.882 OCCCCNCc1ccccc1Br 34a_100000689332_100011216708 [0,2,0,0,0,0|0,0,0]=2 38550 B14R1.882 OCCCCNCc1ccccc1Br 34a_100000750430_100000184730 [0,2,0,0,0,0|0,0,0]=2 38551 B14R1.882 OCCCCNCc1ccccc1Cl 207a_100000750430_100000210073 [0,2,0,0,0,0|0,0,0]=2 38552 B14R1.882 OCCCCNCc1ccccc1Cl 2230a_100000174879_100000210776 [0,2,0,0,0,0|0,0,0]=2 38553 B14R1.882 OCCCCNCc1ccccc1Cl 2230a_100000750430_100000187162 [0,2,0,0,0,0|0,0,0]=2 38554 B14R1.882 OCCCCNCc1ccccc1Cl 270004a_100000750430_100000210073 [0,2,0,0,0,0|0,0,0]=2 38555 B14R1.882 OCCCCNCc1ccccc1Cl 34a_100000174879_100011216708 [0,2,0,0,0,0|0,0,0]=2 38556 B14R1.882 OCCCCNCc1ccccc1Cl 34a_100000750430_100000187162 [0,2,0,0,0,0|0,0,0]=2 38557 B14R1.882 OCCCCNCc1ccccc1F 207a_100000750430_100000210811 [0,2,0,0,0,0|0,0,0]=2 38558 B14R1.882 OCCCCNCc1ccccc1F 2230a_100000750430_100000211605 [0,2,0,0,0,0|0,0,0]=2 38559 B14R1.882 OCCCCNCc1ccccc1F 270004a_100000750430_100000210811 [0,2,0,0,0,0|0,0,0]=2 38560 B14R1.882 OCCCCNCc1ccccc1F 34a_100000174869_100011216708 [0,2,0,0,0,0|0,0,0]=2 38561 B14R1.882 OCCCCNCc1ccccc1F 34a_100000750430_100000211605 [0,2,0,0,0,0|0,0,0]=2 38562 B14R1.882 OCCCCNCc1ccccc1I 207a_100000750430_100000010305 [0,2,0,0,0,0|0,0,0]=2 38563 B14R1.882 OCCCCNCc1ccccc1I 2230a_100000750430_100011215278 [0,2,0,0,0,0|0,0,0]=2 38564 B14R1.882 OCCCCNCc1ccccc1I 270004a_100000750430_100000010305 [0,2,0,0,0,0|0,0,0]=2 38565 B14R1.882 OCCCCNCc1ccccc1I 34a_100000750430_100011215278 [0,2,0,0,0,0|0,0,0]=2 38566 B14R1.882 OCCCCNCc1ccccc1O 34a_100000185550_100011216708 [0,2,0,0,0,0|0,0,0]=2 38567 B14R1.882 OCCCCNCc1cccnc1Br 2230a_100000750430_100010140945 [0,2,0,0,0,0|1,0,0]=3 38568 B14R1.882 OCCCCNCc1cccnc1Br 2230a_100009818023_100000210776 [0,2,0,0,0,0|1,0,0]=3 38569 B14R1.882 OCCCCNCc1cccnc1Br 34a_100000750430_100010140945 [0,2,0,0,0,0|1,0,0]=3 38570 B14R1.882 OCCCCNCc1cccnc1Br 34a_100009818023_100011216708 [0,2,0,0,0,0|1,0,0]=3 38571 B14R1.882 OCCCCNCc1cccnc1Cl 2230a_100000750430_100000045678 [0,2,0,0,0,0|1,0,0]=3 38572 B14R1.882 OCCCCNCc1cccnc1Cl 2230a_100015189234_100000210776 [0,2,0,0,0,0|1,0,0]=3 38573 B14R1.882 OCCCCNCc1cccnc1Cl 34a_100000750430_100000045678 [0,2,0,0,0,0|1,0,0]=3 38574 B14R1.882 OCCCCNCc1cccnc1Cl 34a_100015189234_100011216708 [0,2,0,0,0,0|1,0,0]=3 38575 B14R1.882 OCCCCNCc1cccnc1F 2230a_100000750430_100000099810 [0,2,0,0,0,0|1,0,0]=3 38576 B14R1.882 OCCCCNCc1cccnc1F 34a_100000724633_100011216708 [0,2,0,0,0,0|1,0,0]=3 38577 B14R1.882 OCCCCNCc1cccnc1F 34a_100000750430_100000099810 [0,2,0,0,0,0|1,0,0]=3 38578 B14R1.882 OCCCCNCc1cccnc1O 207a_100000750430_100011998315 [0,2,0,0,0,0|1,0,0]=3 38579 B14R1.882 OCCCCNCc1cccnc1O 270004a_100000750430_100011998315 [0,2,0,0,0,0|1,0,0]=3 38580 B14R1.882 OCCCCNCc1ccncc1Br 270004a_100000750430_100000755692 [0,2,0,0,0,0|1,0,0]=3 38581 B14R1.882 OCCCCNCc1ccncc1Cl 207a_100000750430_100011934409 [0,2,0,0,0,0|1,0,0]=3 38582 B14R1.882 OCCCCNCc1ccncc1Cl 2230a_100000750430_100000763264 [0,2,0,0,0,0|1,0,0]=3 38583 B14R1.882 OCCCCNCc1ccncc1Cl 270004a_100000750430_100011934409 [0,2,0,0,0,0|1,0,0]=3 38584 B14R1.882 OCCCCNCc1ccncc1F 34a_100011935246_100011216708 [0,2,0,0,0,0|1,0,0]=3 38585 B14R1.882 OCCCCNCc1cnccc1Br 270004a_100000750430_100009816821 [0,2,0,0,0,0|1,0,0]=3 38586 B14R1.882 OCCCCNCc1cnccc1Cl 270004a_100000750430_100000050567 [0,2,0,0,0,0|1,0,0]=3 38587 B14R1.882 OCCCCNCc1ncccc1Br 207a_100000750430_100011934733 [0,2,0,0,0,0|1,0,0]=3 38588 B14R1.882 OCCCCNCc1ncccc1Br 2230a_100000750430_100025702911 [0,2,0,0,0,0|1,0,0]=3 38589 B14R1.882 OCCCCNCc1ncccc1Br 270004a_100000750430_100011934733 [0,2,0,0,0,0|1,0,0]=3 38590 B14R1.882 OCCCCNCc1ncccc1Br 34a_100000750430_100025702911 [0,2,0,0,0,0|1,0,0]=3 38591 B14R1.882 OCCCCNCc1ncccc1Cl 207a_100000750430_100012001307 [0,2,0,0,0,0|1,0,0]=3 38592 B14R1.882 OCCCCNCc1ncccc1Cl 2230a_100000750430_100000099807 [0,2,0,0,0,0|1,0,0]=3 38593 B14R1.882 OCCCCNCc1ncccc1Cl 2230a_100015189233_100000210776 [0,2,0,0,0,0|1,0,0]=3 38594 B14R1.882 OCCCCNCc1ncccc1Cl 270004a_100000750430_100012001307 [0,2,0,0,0,0|1,0,0]=3 38595 B14R1.882 OCCCCNCc1ncccc1F 207a_100000750430_100011934734 [0,2,0,0,0,0|1,0,0]=3 38596 B14R1.882 OCCCCNCc1ncccc1F 2230a_100000750430_100000104219 [0,2,0,0,0,0|1,0,0]=3 38597 B14R1.882 OCCCCNCc1ncccc1F 270004a_100000750430_100011934734 [0,2,0,0,0,0|1,0,0]=3 38598 B14R1.882 OCCCCNCc1ncccc1F 34a_100000690088_100011216708 [0,2,0,0,0,0|1,0,0]=3 38599 B14R1.882 OCCCCNCc1ncccc1F 34a_100000750430_100000104219 [0,2,0,0,0,0|1,0,0]=3 38600 B14R1.882 OCCCCNCc1ncccc1O 34a_100000750430_200020655725 [0,2,0,0,0,0|1,0,0]=3 38601 B14R1.882 OCCCCNCc1nccnc1Cl 2230a_100000729963_100000210776 [0,2,0,0,0,0|2,0,0]=4 38602 B14R1.882 OCCCCOCc1ccccc1Br 34a_100000756307_100011216708 [0,2,0,0,0,0|0,0,0]=2 38603 B14R1.882 OCCCCOCc1ccccc1Br 7a_100000756307_100000210776 [0,2,0,0,0,0|0,0,0]=2 38604 B14R1.882 OCCCCOCc1ccccc1Cl 34a_100000210847_100011216708 [0,2,0,0,0,0|0,0,0]=2 38605 B14R1.882 OCCCCOCc1ccccc1Cl 7a_100000210847_100000210776 [0,2,0,0,0,0|0,0,0]=2 38606 B14R1.882 OCCCCOCc1ccccc1F 34a_100000211962_100011216708 [0,2,0,0,0,0|0,0,0]=2 38607 B14R1.882 OCCCCOCc1ccccc1F 7a_100000211962_100000210776 [0,2,0,0,0,0|0,0,0]=2 38608 B14R1.882 OCCCCOCc1ccccc1I 34a_100000187465_100011216708 [0,2,0,0,0,0|0,0,0]=2 38609 B14R1.882 OCCCCOCc1ccccc1I 7a_100000187465_100000210776 [0,2,0,0,0,0|0,0,0]=2 38610 B14R1.882 OCCCCOCc1cccnc1Br 34a_100000719692_100011216708 [0,2,0,0,0,0|1,0,0]=3 38611 B14R1.882 OCCCCOCc1cccnc1Br 7a_100000719692_100000210776 [0,2,0,0,0,0|1,0,0]=3 38612 B14R1.882 OCCCCOCc1cccnc1Cl 34a_100000748726_100011216708 [0,2,0,0,0,0|1,0,0]=3 38613 B14R1.882 OCCCCOCc1cccnc1Cl 7a_100000748726_100000210776 [0,2,0,0,0,0|1,0,0]=3 38614 B14R1.882 OCCCCOCc1cccnc1F 34a_100000079888_100011216708 [0,2,0,0,0,0|1,0,0]=3 38615 B14R1.882 OCCCCOCc1cccnc1F 7a_100000079888_100000210776 [0,2,0,0,0,0|1,0,0]=3 38616 B14R1.882 OCCCCOCc1ccncc1F 34a_100012172863_100011216708 [0,2,0,0,0,0|1,0,0]=3 38617 B14R1.882 OCCCCOCc1cnccc1Cl 34a_100000117392_100011216708 [0,2,0,0,0,0|1,0,0]=3 38618 B14R1.882 OCCCCOCc1ncccc1Br 34a_100011996772_100011216708 [0,2,0,0,0,0|1,0,0]=3 38619 B14R1.882 OCCCCOCc1ncccc1Cl 34a_100012002383_100011216708 [0,2,0,0,0,0|1,0,0]=3 38620 B14R1.882 OCCCCOCc1ncccc1F 34a_100011934865_100011216708 [0,2,0,0,0,0|1,0,0]=3 38621 B14R1.882 OCCCCOCc1nccnc1Cl 34a_100000057004_100011216708 [0,2,0,0,0,0|2,0,0]=4 38622 B14R1.882 OCCCCSCc1ccccc1Br 62a_100000184730_100000210776 [0,2,0,0,0,0|0,0,0]=2 38623 B14R1.882 OCCCCSCc1ccccc1Br 62a_100000210776_100000184730 [0,2,0,0,0,0|0,0,0]=2 38624 B14R1.882 OCCCCSCc1ccccc1Cl 62a_100000187162_100000210776 [0,2,0,0,0,0|0,0,0]=2 38625 B14R1.882 OCCCCSCc1ccccc1Cl 62a_100000210776_100000187162 [0,2,0,0,0,0|0,0,0]=2 38626 B14R1.882 OCCCCSCc1ccccc1F 62a_100000210776_100000211605 [0,2,0,0,0,0|0,0,0]=2 38627 B14R1.882 OCCCCSCc1ccccc1F 62a_100000211605_100000210776 [0,2,0,0,0,0|0,0,0]=2 38628 B14R1.882 OCCCCSCc1ccccc1I 62a_100000210776_100011216222 [0,2,0,0,0,0|0,0,0]=2 38629 B14R1.882 OCCCCSCc1ccccc1I 62a_100011216222_100000210776 [0,2,0,0,0,0|0,0,0]=2 38630 B14R1.882 OCCCCSCc1cccnc1Br 62a_100000210776_100010140945 [0,2,0,0,0,0|1,0,0]=3 38631 B14R1.882 OCCCCSCc1cccnc1Br 62a_100010140945_100000210776 [0,2,0,0,0,0|1,0,0]=3 38632 B14R1.882 OCCCCSCc1cccnc1Cl 62a_100000045678_100000210776 [0,2,0,0,0,0|1,0,0]=3 38633 B14R1.882 OCCCCSCc1cccnc1Cl 62a_100000210776_100000045678 [0,2,0,0,0,0|1,0,0]=3 38634 B14R1.882 OCCCCSCc1cccnc1F 62a_100000099810_100000210776 [0,2,0,0,0,0|1,0,0]=3 38635 B14R1.882 OCCCCSCc1cccnc1F 62a_100000210776_100000099810 [0,2,0,0,0,0|1,0,0]=3 38636 B14R1.882 OCCCCSCc1ccncc1Cl 62a_100000210776_100000763264 [0,2,0,0,0,0|1,0,0]=3 38637 B14R1.882 OCCCCSCc1ccncc1Cl 62a_100000763264_100000210776 [0,2,0,0,0,0|1,0,0]=3 38638 B14R1.882 OCCCCSCc1ncccc1Br 62a_100000210776_100025702911 [0,2,0,0,0,0|1,0,0]=3 38639 B14R1.882 OCCCCSCc1ncccc1Br 62a_100025702911_100000210776 [0,2,0,0,0,0|1,0,0]=3 38640 B14R1.882 OCCCCSCc1ncccc1Cl 62a_100000099807_100000210776 [0,2,0,0,0,0|1,0,0]=3 38641 B14R1.882 OCCCCSCc1ncccc1Cl 62a_100000210776_100000099807 [0,2,0,0,0,0|1,0,0]=3 38642 B14R1.882 OCCCCSCc1ncccc1F 62a_100000104219_100000210776 [0,2,0,0,0,0|1,0,0]=3 38643 B14R1.882 OCCCCSCc1ncccc1F 62a_100000210776_100000104219 [0,2,0,0,0,0|1,0,0]=3 38644 B14R1.882 OCCCCSCc1ncccc1O 62a_100000210776_200020655725 [0,2,0,0,0,0|1,0,0]=3 38645 B14R1.882 OCCCCSCc1ncccc1O 62a_200020655725_100000210776 [0,2,0,0,0,0|1,0,0]=3 38646 B14R1.882 OCCCNCCc1ccccc1Br 2230a_100000747383_100000230001 [0,2,0,0,0,0|0,0,0]=2 38647 B14R1.882 OCCCNCCc1ccccc1Br 34a_100000747383_100000230001 [0,2,0,0,0,0|0,0,0]=2 38648 B14R1.882 OCCCNCCc1ccccc1Cl 2230a_100011207228_100000230001 [0,2,0,0,0,0|0,0,0]=2 38649 B14R1.882 OCCCNCCc1ccccc1Cl 270004a_100000182051_200011713468 [0,2,0,0,0,0|0,0,0]=2 38650 B14R1.882 OCCCNCCc1ccccc1Cl 34a_100011207228_100000230001 [0,2,0,0,0,0|0,0,0]=2 38651 B14R1.882 OCCCNCCc1ccccc1F 2230a_100000185272_100000230001 [0,2,0,0,0,0|0,0,0]=2 38652 B14R1.882 OCCCNCCc1ccccc1F 34a_100000185272_100000230001 [0,2,0,0,0,0|0,0,0]=2 38653 B14R1.882 OCCCNCCc1ccccc1O 34a_100011207237_100000230001 [0,2,0,0,0,0|0,0,0]=2 38654 B14R1.882 OCCCOCCc1ccccc1Br 34a_100000731337_100000230001 [0,2,0,0,0,0|0,0,0]=2 38655 B14R1.882 OCCCOCCc1ccccc1Br 7a_100000731337_100011215043 [0,2,0,0,0,0|0,0,0]=2 38656 B14R1.882 OCCCOCCc1ccccc1Cl 34a_100011215284_100000230001 [0,2,0,0,0,0|0,0,0]=2 38657 B14R1.882 OCCCOCCc1ccccc1Cl 7a_100011215284_100011215043 [0,2,0,0,0,0|0,0,0]=2 38658 B14R1.882 OCCCOCCc1ccccc1F 34a_100000753711_100000230001 [0,2,0,0,0,0|0,0,0]=2 38659 B14R1.882 OCCCOCCc1ccccc1F 7a_100000753711_100011215043 [0,2,0,0,0,0|0,0,0]=2 38660 B14R1.882 OCCCOCCc1ccccc1I 34a_100010255290_100000230001 [0,2,0,0,0,0|0,0,0]=2 38661 B14R1.882 OCCCOCCc1ccccc1I 7a_100010255290_100011215043 [0,2,0,0,0,0|0,0,0]=2 38662 B14R1.882 OCCCSCCc1ccccc1Br 62a_100011215043_100012161201 [0,2,0,0,0,0|0,0,0]=2 38663 B14R1.882 OCCCSCCc1ccccc1Br 62a_100012161201_100011215043 [0,2,0,0,0,0|0,0,0]=2 38664 B14R1.882 OCCCSCCc1ccccc1Cl 62a_100011215043_100011713703 [0,2,0,0,0,0|0,0,0]=2 38665 B14R1.882 OCCCSCCc1ccccc1Cl 62a_100011713703_100011215043 [0,2,0,0,0,0|0,0,0]=2 38666 B14R1.882 OCCCSCCc1ccccc1F 62a_100011215043_100011713696 [0,2,0,0,0,0|0,0,0]=2 38667 B14R1.882 OCCCSCCc1ccccc1F 62a_100011713696_100011215043 [0,2,0,0,0,0|0,0,0]=2 38668 B14R1.882 OCCCSCCc1ccccc1O 62a_100000722297_100011215043 [0,2,0,0,0,0|0,0,0]=2 38669 B14R1.882 OCCCSCCc1ccccc1O 62a_100011215043_100000722297 [0,2,0,0,0,0|0,0,0]=2 38670 B14R1.882 OCCNCC#Cc1ccccc1Br 2230a_100016997473_100010706765 [0,2,0,0,0,0|0,0,2]=4 38671 B14R1.882 OCCNCC#Cc1ccccc1Br 34a_100016990907_100010706765 [0,2,0,0,0,0|0,0,2]=4 38672 B14R1.882 OCCNCC#Cc1ccccc1F 2230a_100016997473_100010404167 [0,2,0,0,0,0|0,0,2]=4 38673 B14R1.882 OCCNCC#Cc1ccccc1F 34a_100016990907_100010404167 [0,2,0,0,0,0|0,0,2]=4 38674 B14R1.882 OCCNCC=Cc1ccccc1Br 270004a_100000210304_200016268969 [0,2,0,0,0,0|0,0,2]=4 38675 B14R1.882 OCCNCC=Cc1ccccc1Cl 270004a_100000210304_200102525841 [0,2,0,0,0,0|0,0,2]=4 38676 B14R1.882 OCCNCC=Cc1ccccc1F 270004a_100000210304_200102525844 [0,2,0,0,0,0|0,0,2]=4 38677 B14R1.882 OCCNCCCc1ccccc1Br 2230a_100016997473_200011713681 [0,2,0,0,0,0|0,0,0]=2 38678 B14R1.882 OCCNCCCc1ccccc1Br 34a_100016990907_200011713681 [0,2,0,0,0,0|0,0,0]=2 38679 B14R1.882 OCCNCCCc1ccccc1F 2230a_100000724733_100000211926 [0,2,0,0,0,0|0,0,0]=2 38680 B14R1.882 OCCNCCCc1ccccc1F 34a_100000724733_100000211926 [0,2,0,0,0,0|0,0,0]=2 38681 B14R1.882 OCCNCCOc1ccccc1Br 2230a_100000744007_100000211926 [0,2,0,0,0,0|1,0,0]=3 38682 B14R1.882 OCCNCCOc1ccccc1Br 2230a_100016997473_100000695877 [0,2,0,0,0,0|1,0,0]=3 38683 B14R1.882 OCCNCCOc1ccccc1Br 34a_100000744007_100000211926 [0,2,0,0,0,0|1,0,0]=3 38684 B14R1.882 OCCNCCOc1ccccc1Br 34a_100016990907_100000695877 [0,2,0,0,0,0|1,0,0]=3 38685 B14R1.882 OCCNCCOc1ccccc1Cl 2230a_100000174932_100000211926 [0,2,0,0,0,0|1,0,0]=3 38686 B14R1.882 OCCNCCOc1ccccc1Cl 34a_100000174932_100000211926 [0,2,0,0,0,0|1,0,0]=3 38687 B14R1.882 OCCNCCOc1ccccc1F 2230a_100000683764_100000211926 [0,2,0,0,0,0|1,0,0]=3 38688 B14R1.882 OCCNCCOc1ccccc1F 2230a_100016997473_100000183290 [0,2,0,0,0,0|1,0,0]=3 38689 B14R1.882 OCCNCCOc1ccccc1F 34a_100000683764_100000211926 [0,2,0,0,0,0|1,0,0]=3 38690 B14R1.882 OCCNCCOc1ccccc1F 34a_100016990907_100000183290 [0,2,0,0,0,0|1,0,0]=3 38691 B14R1.882 OCCNN=CCc1ccccc1Cl 4a_100000210001_200011713468 [0,2,0,0,0,0|1,0,1]=4 38692 B14R1.882 OCCNN=CCc1ccccc1F 4a_100000210001_200000687578 [0,2,0,0,0,0|1,0,1]=4 38693 B14R1.882 OCCOCC#Cc1ccccc1Br 34a_100009814404_100000211926 [0,2,0,0,0,0|0,0,2]=4 38694 B14R1.882 OCCOCC#Cc1ccccc1Br 7a_100009814404_100000211926 [0,2,0,0,0,0|0,0,2]=4 38695 B14R1.882 OCCOCC#Cc1ccccc1Cl 34a_100011219350_100000211926 [0,2,0,0,0,0|0,0,2]=4 38696 B14R1.882 OCCOCC#Cc1ccccc1Cl 7a_100011219350_100000211926 [0,2,0,0,0,0|0,0,2]=4 38697 B14R1.882 OCCOCC#Cc1ccccc1F 34a_100011219114_100000211926 [0,2,0,0,0,0|0,0,2]=4 38698 B14R1.882 OCCOCC#Cc1ccccc1F 7a_100011219114_100000211926 [0,2,0,0,0,0|0,0,2]=4 38699 B14R1.882 OCCOCCCc1ccccc1Br 34a_100000699526_100000211926 [0,2,0,0,0,0|0,0,0]=2 38700 B14R1.882 OCCOCCCc1ccccc1Br 7a_100000699526_100000211926 [0,2,0,0,0,0|0,0,0]=2 38701 B14R1.882 OCCOCCCc1ccccc1Cl 34a_100011709251_100000211926 [0,2,0,0,0,0|0,0,0]=2 38702 B14R1.882 OCCOCCCc1ccccc1Cl 7a_100011709251_100000211926 [0,2,0,0,0,0|0,0,0]=2 38703 B14R1.882 OCCOCCCc1ccccc1F 34a_100011709249_100000211926 [0,2,0,0,0,0|0,0,0]=2 38704 B14R1.882 OCCOCCCc1ccccc1F 7a_100011709249_100000211926 [0,2,0,0,0,0|0,0,0]=2 38705 B14R1.882 OCCOCCNc1ccccc1Br 34a_100000210017_100000692535 [0,2,0,0,0,0|1,0,0]=3 38706 B14R1.882 OCCOCCNc1ccccc1Cl 34a_100000185783_100000692535 [0,2,0,0,0,0|1,0,0]=3 38707 B14R1.882 OCCOCCNc1ccccc1F 34a_100000210422_100000692535 [0,2,0,0,0,0|1,0,0]=3 38708 B14R1.882 OCCOCCNc1ccccc1I 34a_100000210053_100000692535 [0,2,0,0,0,0|1,0,0]=3 38709 B14R1.882 OCCOCCNc1ccccc1O 34a_100000185747_100000692535 [0,2,0,0,0,0|1,0,0]=3 38710 B14R1.882 OCCOCCNc1ccncc1Br 27a_100000211614_100000726257 [0,2,0,0,0,0|2,0,0]=4 38711 B14R1.882 OCCOCCNc1ccncc1F 27a_100000211614_100000035921 [0,2,0,0,0,0|2,0,0]=4 38712 B14R1.882 OCCOCCNc1ncccc1Br 27a_100000211614_100000696092 [0,2,0,0,0,0|2,0,0]=4 38713 B14R1.882 OCCOCCOc1ccccc1Br 34a_100000181306_100000692535 [0,2,0,0,0,0|1,0,0]=3 38714 B14R1.882 OCCOCCOc1ccccc1Br 34a_100000230753_100000211926 [0,2,0,0,0,0|1,0,0]=3 38715 B14R1.882 OCCOCCOc1ccccc1Br 7a_100000181306_100011215305 [0,2,0,0,0,0|1,0,0]=3 38716 B14R1.882 OCCOCCOc1ccccc1Br 7a_100000230753_100000211926 [0,2,0,0,0,0|1,0,0]=3 38717 B14R1.882 OCCOCCOc1ccccc1Cl 34a_100000210172_100000692535 [0,2,0,0,0,0|1,0,0]=3 38718 B14R1.882 OCCOCCOc1ccccc1Cl 34a_200000230518_100000211926 [0,2,0,0,0,0|1,0,0]=3 38719 B14R1.882 OCCOCCOc1ccccc1Cl 7a_100000210172_100011215305 [0,2,0,0,0,0|1,0,0]=3 38720 B14R1.882 OCCOCCOc1ccccc1Cl 7a_200000230518_100000211926 [0,2,0,0,0,0|1,0,0]=3 38721 B14R1.882 OCCOCCOc1ccccc1F 34a_100000210171_100000692535 [0,2,0,0,0,0|1,0,0]=3 38722 B14R1.882 OCCOCCOc1ccccc1F 34a_100000756447_100000211926 [0,2,0,0,0,0|1,0,0]=3 38723 B14R1.882 OCCOCCOc1ccccc1F 7a_100000210171_100011215305 [0,2,0,0,0,0|1,0,0]=3 38724 B14R1.882 OCCOCCOc1ccccc1F 7a_100000756447_100000211926 [0,2,0,0,0,0|1,0,0]=3 38725 B14R1.882 OCCOCCOc1ccccc1I 34a_100000739446_100000692535 [0,2,0,0,0,0|1,0,0]=3 38726 B14R1.882 OCCOCCOc1ccccc1I 7a_100000739446_100011215305 [0,2,0,0,0,0|1,0,0]=3 38727 B14R1.882 OCCOCCOc1cccnc1Br 34a_100000744436_100000692535 [0,2,0,0,0,0|2,0,0]=4 38728 B14R1.882 OCCOCCOc1cccnc1Br 7a_100000744436_100011215305 [0,2,0,0,0,0|2,0,0]=4 38729 B14R1.882 OCCOCCOc1cccnc1Cl 34a_100000757616_100000692535 [0,2,0,0,0,0|2,0,0]=4 38730 B14R1.882 OCCOCCOc1cccnc1Cl 7a_100000757616_100011215305 [0,2,0,0,0,0|2,0,0]=4 38731 B14R1.882 OCCOCCOc1cccnc1F 34a_100000061740_100000692535 [0,2,0,0,0,0|2,0,0]=4 38732 B14R1.882 OCCOCCOc1cccnc1F 7a_100000061740_100011215305 [0,2,0,0,0,0|2,0,0]=4 38733 B14R1.882 OCCOCCOc1cccnc1I 34a_100000034122_100000692535 [0,2,0,0,0,0|2,0,0]=4 38734 B14R1.882 OCCOCCOc1cccnc1I 7a_100000034122_100011215305 [0,2,0,0,0,0|2,0,0]=4 38735 B14R1.882 OCCOCCOc1ccncc1Br 34a_100011996408_100000692535 [0,2,0,0,0,0|2,0,0]=4 38736 B14R1.882 OCCOCCOc1ccncc1Cl 34a_100011997054_100000692535 [0,2,0,0,0,0|2,0,0]=4 38737 B14R1.882 OCCOCCOc1ccncc1F 34a_200000081243_100000692535 [0,2,0,0,0,0|2,0,0]=4 38738 B14R1.882 OCCOCCOc1cnccc1Cl 34a_100011996695_100000692535 [0,2,0,0,0,0|2,0,0]=4 38739 B14R1.882 OCCOCCOc1cnccc1I 34a_100000050107_100000692535 [0,2,0,0,0,0|2,0,0]=4 38740 B14R1.882 OCCOCCOc1ncccc1Cl 34a_100011290957_100000692535 [0,2,0,0,0,0|2,0,0]=4 38741 B14R1.882 OCCOCCOc1ncccc1F 34a_100011219419_100000692535 [0,2,0,0,0,0|2,0,0]=4 38742 B14R1.882 OCCOCCSc1c[nH]ccc1=S 62a_100011215305_200012280681 [0,2,0,0,0,0|2,0,0]=4 38743 B14R1.882 OCCOCCSc1c[nH]ccc1=S 62a_200012280681_100011215305 [0,2,0,0,0,0|2,0,0]=4 38744 B14R1.882 OCCOCCSc1ccccc1Br 34a_200000230852_100000211926 [0,2,0,0,0,0|1,0,0]=3 38745 B14R1.882 OCCOCCSc1ccccc1Br 62a_100000695589_100011215305 [0,2,0,0,0,0|1,0,0]=3 38746 B14R1.882 OCCOCCSc1ccccc1Br 62a_100011215305_100000695589 [0,2,0,0,0,0|1,0,0]=3 38747 B14R1.882 OCCOCCSc1ccccc1Br 7a_200000230852_100000211926 [0,2,0,0,0,0|1,0,0]=3 38748 B14R1.882 OCCOCCSc1ccccc1Cl 34a_200000230572_100000211926 [0,2,0,0,0,0|1,0,0]=3 38749 B14R1.882 OCCOCCSc1ccccc1Cl 62a_100000764095_100011215305 [0,2,0,0,0,0|1,0,0]=3 38750 B14R1.882 OCCOCCSc1ccccc1Cl 62a_100011215305_100000764095 [0,2,0,0,0,0|1,0,0]=3 38751 B14R1.882 OCCOCCSc1ccccc1Cl 7a_200000230572_100000211926 [0,2,0,0,0,0|1,0,0]=3 38752 B14R1.882 OCCOCCSc1ccccc1F 34a_200000230732_100000211926 [0,2,0,0,0,0|1,0,0]=3 38753 B14R1.882 OCCOCCSc1ccccc1F 62a_100011215305_100011215700 [0,2,0,0,0,0|1,0,0]=3 38754 B14R1.882 OCCOCCSc1ccccc1F 62a_100011215700_100011215305 [0,2,0,0,0,0|1,0,0]=3 38755 B14R1.882 OCCOCCSc1ccccc1F 7a_200000230732_100000211926 [0,2,0,0,0,0|1,0,0]=3 38756 B14R1.882 OCCOCCSc1ccccc1O 62a_100000739446_100011215305 [0,2,0,0,0,0|1,0,0]=3 38757 B14R1.882 OCCOCCSc1ccccc1O 62a_100011215305_100000739446 [0,2,0,0,0,0|1,0,0]=3 38758 B14R1.882 OCCOCCSc1cccnc1Br 62a_100010202626_100011215305 [0,2,0,0,0,0|2,0,0]=4 38759 B14R1.882 OCCOCCSc1cccnc1Br 62a_100011215305_100010202626 [0,2,0,0,0,0|2,0,0]=4 38760 B14R1.882 OCCOCCSc1cccnc1Cl 62a_100000036424_100011215305 [0,2,0,0,0,0|2,0,0]=4 38761 B14R1.882 OCCOCCSc1cccnc1Cl 62a_100011215305_100000036424 [0,2,0,0,0,0|2,0,0]=4 38762 B14R1.882 OCCOCCSc1cccnc1F 62a_100009816115_100011215305 [0,2,0,0,0,0|2,0,0]=4 38763 B14R1.882 OCCOCCSc1cccnc1F 62a_100011215305_100009816115 [0,2,0,0,0,0|2,0,0]=4 38764 B14R1.882 OCCOCCSc1cccnc1O 62a_100000760158_100011215305 [0,2,0,0,0,0|2,0,0]=4 38765 B14R1.882 OCCOCCSc1cccnc1O 62a_100011215305_100000760158 [0,2,0,0,0,0|2,0,0]=4 38766 B14R1.882 OCCOCCSc1ccncc1Br 62a_100000726257_100011215305 [0,2,0,0,0,0|2,0,0]=4 38767 B14R1.882 OCCOCCSc1ccncc1Br 62a_100011215305_100000726257 [0,2,0,0,0,0|2,0,0]=4 38768 B14R1.882 OCCOCCSc1ccncc1Cl 62a_100000708259_100011215305 [0,2,0,0,0,0|2,0,0]=4 38769 B14R1.882 OCCOCCSc1ccncc1Cl 62a_100011215305_100000708259 [0,2,0,0,0,0|2,0,0]=4 38770 B14R1.882 OCCOCCSc1ccncc1F 62a_100000047030_100011215305 [0,2,0,0,0,0|2,0,0]=4 38771 B14R1.882 OCCOCCSc1ccncc1F 62a_100011215305_100000047030 [0,2,0,0,0,0|2,0,0]=4 38772 B14R1.882 OCCOCCSc1ccncc1O 62a_100009817591_100011215305 [0,2,0,0,0,0|2,0,0]=4 38773 B14R1.882 OCCOCCSc1ccncc1O 62a_100011215305_100009817591 [0,2,0,0,0,0|2,0,0]=4 38774 B14R1.882 OCCOCCSc1cnccc1Br 62a_100010138639_100011215305 [0,2,0,0,0,0|2,0,0]=4 38775 B14R1.882 OCCOCCSc1cnccc1Br 62a_100011215305_100010138639 [0,2,0,0,0,0|2,0,0]=4 38776 B14R1.882 OCCOCCSc1cnccc1Cl 62a_100009995489_100011215305 [0,2,0,0,0,0|2,0,0]=4 38777 B14R1.882 OCCOCCSc1cnccc1Cl 62a_100011215305_100009995489 [0,2,0,0,0,0|2,0,0]=4 38778 B14R1.882 OCCOCCSc1cnccc1F 62a_100009820683_100011215305 [0,2,0,0,0,0|2,0,0]=4 38779 B14R1.882 OCCOCCSc1cnccc1F 62a_100011215305_100009820683 [0,2,0,0,0,0|2,0,0]=4 38780 B14R1.882 OCCOCCSc1ncccc1Br 62a_100000696092_100011215305 [0,2,0,0,0,0|2,0,0]=4 38781 B14R1.882 OCCOCCSc1ncccc1Br 62a_100011215305_100000696092 [0,2,0,0,0,0|2,0,0]=4 38782 B14R1.882 OCCOCCSc1ncccc1Cl 62a_100011215305_100011356963 [0,2,0,0,0,0|2,0,0]=4 38783 B14R1.882 OCCOCCSc1ncccc1Cl 62a_100011356963_100011215305 [0,2,0,0,0,0|2,0,0]=4 38784 B14R1.882 OCCOCCSc1ncccc1F 62a_100000685392_100011215305 [0,2,0,0,0,0|2,0,0]=4 38785 B14R1.882 OCCOCCSc1ncccc1F 62a_100011215305_100000685392 [0,2,0,0,0,0|2,0,0]=4 38786 B14R1.882 OCCOCCSc1ncccc1O 62a_100000034122_100011215305 [0,2,0,0,0,0|2,0,0]=4 38787 B14R1.882 OCCOCCSc1ncccc1O 62a_100011215305_100000034122 [0,2,0,0,0,0|2,0,0]=4 38788 B14R1.882 OCCSCC#Cc1ccccc1Br 62a_100000211926_100010706765 [0,2,0,0,0,0|0,0,2]=4 38789 B14R1.882 OCCSCC#Cc1ccccc1Br 62a_100010706765_100000211926 [0,2,0,0,0,0|0,0,2]=4 38790 B14R1.882 OCCSCC#Cc1ccccc1F 62a_100000211926_100010404167 [0,2,0,0,0,0|0,0,2]=4 38791 B14R1.882 OCCSCC#Cc1ccccc1F 62a_100010404167_100000211926 [0,2,0,0,0,0|0,0,2]=4 38792 B14R1.882 OCCSCCCc1ccccc1Br 62a_100000211926_200011713681 [0,2,0,0,0,0|0,0,0]=2 38793 B14R1.882 OCCSCCCc1ccccc1Br 62a_200011713681_100000211926 [0,2,0,0,0,0|0,0,0]=2 38794 B14R1.882 OCCSCCNc1ccncc1Br 27a_100011219999_100000726257 [0,2,0,0,0,0|2,0,0]=4 38795 B14R1.882 OCCSCCNc1ccncc1F 27a_100011219999_100000035921 [0,2,0,0,0,0|2,0,0]=4 38796 B14R1.882 OCCSCCNc1ncccc1Br 27a_100011219999_100000696092 [0,2,0,0,0,0|2,0,0]=4 38797 B14R1.882 OCCSCCOc1ccccc1Br 62a_100000211926_100000695877 [0,2,0,0,0,0|1,0,0]=3 38798 B14R1.882 OCCSCCOc1ccccc1Br 62a_100000695877_100000211926 [0,2,0,0,0,0|1,0,0]=3 38799 B14R1.882 OCCSCCOc1ccccc1F 62a_100000183290_100000211926 [0,2,0,0,0,0|1,0,0]=3 38800 B14R1.882 OCCSCCOc1ccccc1F 62a_100000211926_100000183290 [0,2,0,0,0,0|1,0,0]=3 38801 B14R1.882 Oc1ccccc1CCNCCCF 34a_100011207237_100011934791 [0,2,0,0,0,0|1,0,0]=3 38802 B14R1.882 Oc1ccccc1CCNCCCF 34a_100015189416_100000722297 [0,2,0,0,0,0|1,0,0]=3 38803 B14R1.882 Oc1ccccc1CCOCCCBr 34a_100011217188_100000722297 [0,2,0,0,0,0|1,0,0]=3 38804 B14R1.882 Oc1ccccc1CCOCCCCl 34a_100000230001_100000722297 [0,2,0,0,0,0|1,0,0]=3 38805 B14R1.882 Oc1ccccc1CCOCCCF 34a_100000759539_100000722297 [0,2,0,0,0,0|1,0,0]=3 38806 B14R1.882 Oc1ccccc1CCSCCCF 62a_100000722297_100011934791 [0,2,0,0,0,0|1,0,0]=3 38807 B14R1.882 Oc1ccccc1CCSCCCF 62a_100011934791_100000722297 [0,2,0,0,0,0|1,0,0]=3 38808 B14R1.882 Oc1ccccc1CNCCCCF 34a_100000185550_100000729493 [0,2,0,0,0,0|1,0,0]=3 38809 B14R1.882 Oc1ccccc1NCCCCCF 34a_100000185747_100000729378 [0,2,0,0,0,0|1,0,0]=3 38810 B14R1.882 Oc1ccccc1SCCCCCF 62a_100000729378_100000739446 [0,2,0,0,0,0|1,0,0]=3 38811 B14R1.882 Oc1ccccc1SCCCCCF 62a_100000739446_100000729378 [0,2,0,0,0,0|1,0,0]=3 38812 B14R1.882 Oc1cccnc1COCCCCBr 34a_100011216708_200020655725 [0,2,0,0,0,0|2,0,0]=4 38813 B14R1.882 Oc1cccnc1COCCCCCl 34a_100000210776_200020655725 [0,2,0,0,0,0|2,0,0]=4 38814 B14R1.882 Oc1cccnc1COCCCCCl 7a_100000210776_200020655725 [0,2,0,0,0,0|2,0,0]=4 38815 B14R1.882 Oc1cccnc1COCCCCF 34a_100011995726_200020655725 [0,2,0,0,0,0|2,0,0]=4 38816 B14R1.882 Oc1cccnc1COCCCCF 7a_100011995726_200020655725 [0,2,0,0,0,0|2,0,0]=4 38817 B14R1.882 Oc1cccnc1COCCCCI 34a_200012148704_200020655725 [0,2,0,0,0,0|2,0,0]=4 38818 B14R1.882 Oc1cccnc1CSCCCCF 62a_100000729493_200020655725 [0,2,0,0,0,0|2,0,0]=4 38819 B14R1.882 Oc1cccnc1CSCCCCF 62a_200020655725_100000729493 [0,2,0,0,0,0|2,0,0]=4 38820 B14R1.882 Oc1cccnc1SCCCCCF 62a_100000034122_100000729378 [0,2,0,0,0,0|2,0,0]=4 38821 B14R1.882 Oc1cccnc1SCCCCCF 62a_100000729378_100000034122 [0,2,0,0,0,0|2,0,0]=4 38822 B14R1.882 Oc1cnccc1SCCCCCF 62a_100000729378_100009817591 [0,2,0,0,0,0|2,0,0]=4 38823 B14R1.882 Oc1cnccc1SCCCCCF 62a_100009817591_100000729378 [0,2,0,0,0,0|2,0,0]=4 38824 B14R1.882 Oc1ncccc1SCCCCCF 62a_100000729378_100000760158 [0,2,0,0,0,0|2,0,0]=4 38825 B14R1.882 Oc1ncccc1SCCCCCF 62a_100000760158_100000729378 [0,2,0,0,0,0|2,0,0]=4 38826 B14R1.882 [13CH3]NCCCSCc1ccccc1Cl 2230a_100012022078_200025704644 [0,2,0,0,0,0|2,0,0]=4 38827 B14R1.882 [13CH3]NCCCSCc1ccccc1Cl 34a_100012022078_200025704644 [0,2,0,0,0,0|2,0,0]=4 38828 B14R1.882 [13CH3]NCCCSCc1ccccc1Cl 7a_100012022078_200025704644 [0,2,0,0,0,0|2,0,0]=4 38829 B14R1.882 [13CH3]NCCCSCc1ccccc1F 2230a_100012017350_200025704644 [0,2,0,0,0,0|2,0,0]=4 38830 B14R1.882 [13CH3]NCCCSCc1ccccc1F 34a_100012017350_200025704644 [0,2,0,0,0,0|2,0,0]=4 38831 B14R1.882 [13CH3]NCCCSCc1ccccc1F 7a_100012017350_200025704644 [0,2,0,0,0,0|2,0,0]=4 38832 B14R1.882 [O-][n+]1ccccc1OCCCCCF 7a_100000211761_100000729378 [0,2,0,0,0,0|2,0,0]=4 38833 B14R1.882 [O-][n+]1ccccc1OCCCCCO 7a_100000211761_100000746330 [0,2,0,0,0,0|1,0,0]=3 38834 B14R1.882 [O-][n+]1ccccc1OCCOCCO 7a_100000211761_100011215305 [0,2,0,0,0,0|2,0,0]=4 38835 B14R1.882 [O-][n+]1ccccc1SCCCCCF 62a_100000729378_200000042595 [0,2,0,0,0,0|2,0,0]=4 38836 B14R1.882 [O-][n+]1ccccc1SCCCCCO 62a_100000746330_200000042595 [0,2,0,0,0,0|1,0,0]=3 38837 B14R1.882 [O-][n+]1ccccc1SCCOCCO 62a_100011215305_200000042595 [0,2,0,0,0,0|2,0,0]=4 38838 B14R1.60 CC(CCO)C(=O)C[n+]1ccccc1 1458a_200000086051_100009893172 [0,2,0,0,0,0|1,0,1]=4 38839 B14R1.60 CC(CCO)C(=O)Cc1ccccn1 1458a_100000233486_100009893172 [0,2,0,0,0,0|1,0,1]=4 38840 B14R1.60 CC(CCO)C(=O)Cc1cccnc1 1458a_100000737805_100009893172 [0,2,0,0,0,0|1,0,1]=4 38841 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000186898_100009893172 [0,2,0,0,0,0|1,0,0]=3 38842 B14R1.60 CC(CCO)N(C)Cc1ccccc1 2230a_100000731037_100015291786 [0,2,0,0,0,0|1,0,0]=3 38843 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000186898_100009893172 [0,2,0,0,0,0|1,0,0]=3 38844 B14R1.60 CC(CCO)N(C)Cc1ccccc1 269982a_100000731037_100000211182 [0,2,0,0,0,0|1,0,0]=3 38845 B14R1.60 CC(CCO)N(C)Cc1ccccc1 270004a_100000731037_100015611070 [0,2,0,0,0,0|1,0,0]=3 38846 B14R1.60 CC(CCO)N(C)Cc1ccccn1 2230a_100000207498_100009893172 [0,2,0,0,0,0|2,0,0]=4 38847 B14R1.60 CC(CCO)N(C)Cc1ccccn1 2230a_100000731037_100000721315 [0,2,0,0,0,0|2,0,0]=4 38848 B14R1.60 CC(CCO)N(C)Cc1ccccn1 269982a_100000207498_100009893172 [0,2,0,0,0,0|2,0,0]=4 38849 B14R1.60 CC(CCO)N(C)Cc1ccccn1 269982a_100000731037_100000721315 [0,2,0,0,0,0|2,0,0]=4 38850 B14R1.60 CC(CCO)N(C)Cc1ccccn1 270004a_100000731037_100000209966 [0,2,0,0,0,0|2,0,0]=4 38851 B14R1.60 CC(CCO)N(C)Cc1cccnc1 2230a_100000184577_100009893172 [0,2,0,0,0,0|2,0,0]=4 38852 B14R1.60 CC(CCO)N(C)Cc1cccnc1 2230a_100000731037_100000741622 [0,2,0,0,0,0|2,0,0]=4 38853 B14R1.60 CC(CCO)N(C)Cc1cccnc1 269982a_100000184577_100009893172 [0,2,0,0,0,0|2,0,0]=4 38854 B14R1.60 CC(CCO)N(C)Cc1cccnc1 269982a_100000731037_100000733263 [0,2,0,0,0,0|2,0,0]=4 38855 B14R1.60 CC(CCO)N(C)Cc1cccnc1 270004a_100000731037_100000209961 [0,2,0,0,0,0|2,0,0]=4 38856 B14R1.60 CC(CCO)N(C)Cc1ccncc1 2230a_100000187231_100009893172 [0,2,0,0,0,0|2,0,0]=4 38857 B14R1.60 CC(CCO)N(C)Cc1ccncc1 2230a_100000731037_100015193705 [0,2,0,0,0,0|2,0,0]=4 38858 B14R1.60 CC(CCO)N(C)Cc1ccncc1 269982a_100000187231_100009893172 [0,2,0,0,0,0|2,0,0]=4 38859 B14R1.60 CC(CCO)N(C)Cc1ccncc1 269982a_100000731037_100015193705 [0,2,0,0,0,0|2,0,0]=4 38860 B14R1.60 CC(C[n+]1ccccc1)N(C)CCO 270004a_100000210263_100000034229 [0,2,0,0,0,0|2,0,0]=4 38861 B14R1.60 CC(Cc1ccccc1)C(=O)CCF 1458a_100000754839_100011217306 [0,2,0,0,0,0|1,0,1]=4 38862 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,2,0,0,0,0|0,0,1]=3 38863 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,2,0,0,0,0|0,0,1]=3 38864 B14R1.60 CC(Cc1ccccc1)N(C)CCO 269982a_100000210263_200011218536 [0,2,0,0,0,0|1,0,0]=3 38865 B14R1.60 CC(Cc1ccccn1)C(=O)CCO 1458a_100012000792_100000211926 [0,2,0,0,0,0|1,0,1]=4 38866 B14R1.60 CC(Cc1ccccn1)N(C)CCO 2230a_200011351704_100000211926 [0,2,0,0,0,0|2,0,0]=4 38867 B14R1.60 CC(Cc1ccccn1)N(C)CCO 269982a_200011351704_100000211926 [0,2,0,0,0,0|2,0,0]=4 38868 B14R1.60 CC(Cc1cccnc1)N(C)CCO 270004a_100000210263_100015187140 [0,2,0,0,0,0|2,0,0]=4 38869 B14R1.60 CC(Cc1ccncc1)N(C)CCO 270004a_100000210263_100000238508 [0,2,0,0,0,0|2,0,0]=4 38870 B14R1.60 CC(Oc1ccccc1)C(=O)CCO 1458a_100000188414_100000211926 [0,2,0,0,0,0|1,0,1]=4 38871 B14R1.60 CC(Sc1ccccc1)C(=O)CCO 1458a_100000199063_100000211926 [0,2,0,0,0,0|1,0,1]=4 38872 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [0,2,0,0,0,0|1,0,1]=4 38873 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [0,2,0,0,0,0|1,0,1]=4 38874 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [0,2,0,0,0,0|1,0,1]=4 38875 B14R1.60 CCCC(C)C(=O)Cc1ccccc1 1458a_100000210906_100015291786 [0,2,0,0,0,0|1,0,1]=4 38876 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000766640 [0,2,0,0,0,0|2,0,0]=4 38877 B14R1.60 CCCC(C)N(C)Cc1ccccc1 2230a_200015183821_200000210301 [0,2,0,0,0,0|2,0,0]=4 38878 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000766640 [0,2,0,0,0,0|2,0,0]=4 38879 B14R1.60 CCCC(C)N(C)Cc1ccccc1 269982a_200015183821_200000210301 [0,2,0,0,0,0|2,0,0]=4 38880 B14R1.60 CCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000211909 [0,2,0,0,0,0|2,0,0]=4 38881 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 2230a_200015183821_200025704644 [0,2,0,0,0,0|2,0,0]=4 38882 B14R1.60 CCCC(C)N([13CH3])Cc1ccccc1 269982a_200015183821_200025704644 [0,2,0,0,0,0|2,0,0]=4 38883 B14R1.60 CCCN(C)C(C)Cc1ccccc1 269982a_100000747261_200011218536 [0,2,0,0,0,0|2,0,0]=4 38884 B14R1.60 CCC[C@H](O)C(=O)Cc1ccccc1 1458a_100009822183_100015291786 [0,2,0,0,0,0|1,0,1]=4 38885 B14R1.60 CCNC(C)C(C)Cc1ccccc1 269862a_100015525214_200011390852 [0,2,0,0,0,0|2,0,0]=4 38886 B14R1.60 CCNC(C)C(C)Cc1ccccc1 270004a_100015525214_200011390852 [0,2,0,0,0,0|2,0,0]=4 38887 B14R1.60 CN(Cc1ccccc1)C(=O)CCO 240690a_100000186898_100011216618 [0,2,0,0,0,0|1,0,1]=4 38888 B14R1.60 O=C(CCF)[C@H](O)Cc1ccccc1 1458a_100009816399_100011217306 [0,2,0,0,0,0|1,0,1]=4 38889 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [0,2,0,0,0,0|0,0,1]=3 38890 B14R1.598 CC(CCBr)OCc1ccccc1Br 34a_100012276601_100000184730 [0,2,0,0,0,0|2,0,0]=4 38891 B14R1.598 CC(CCBr)OCc1ccccc1Cl 34a_100012276601_100000187162 [0,2,0,0,0,0|2,0,0]=4 38892 B14R1.598 CC(CCBr)OCc1ccccc1F 34a_100012276601_100000211605 [0,2,0,0,0,0|2,0,0]=4 38893 B14R1.598 CC(CCBr)OCc1ccccc1I 34a_100012276601_100011215278 [0,2,0,0,0,0|2,0,0]=4 38894 B14R1.598 CC(CCO)NCc1ccccc1Br 2230a_100000689332_100009893172 [0,2,0,0,0,0|1,0,0]=3 38895 B14R1.598 CC(CCO)NCc1ccccc1Br 34a_100000689332_100009893172 [0,2,0,0,0,0|1,0,0]=3 38896 B14R1.598 CC(CCO)NCc1ccccc1Cl 2230a_100000174879_100009893172 [0,2,0,0,0,0|1,0,0]=3 38897 B14R1.598 CC(CCO)NCc1ccccc1Cl 34a_100000174879_100009893172 [0,2,0,0,0,0|1,0,0]=3 38898 B14R1.598 CC(CCO)NCc1ccccc1F 34a_100000174869_100009893172 [0,2,0,0,0,0|1,0,0]=3 38899 B14R1.598 CC(CCO)NCc1ccccc1O 34a_100000185550_100009893172 [0,2,0,0,0,0|1,0,0]=3 38900 B14R1.598 CC(CCO)NCc1cccnc1Br 2230a_100009818023_100009893172 [0,2,0,0,0,0|2,0,0]=4 38901 B14R1.598 CC(CCO)NCc1cccnc1Br 34a_100009818023_100009893172 [0,2,0,0,0,0|2,0,0]=4 38902 B14R1.598 CC(CCO)NCc1cccnc1Cl 2230a_100015189234_100009893172 [0,2,0,0,0,0|2,0,0]=4 38903 B14R1.598 CC(CCO)NCc1cccnc1Cl 34a_100015189234_100009893172 [0,2,0,0,0,0|2,0,0]=4 38904 B14R1.598 CC(CCO)NCc1cccnc1F 34a_100000724633_100009893172 [0,2,0,0,0,0|2,0,0]=4 38905 B14R1.598 CC(CCO)NCc1ccncc1F 34a_100011935246_100009893172 [0,2,0,0,0,0|2,0,0]=4 38906 B14R1.598 CC(CCO)NCc1ncccc1Cl 2230a_100015189233_100009893172 [0,2,0,0,0,0|2,0,0]=4 38907 B14R1.598 CC(CCO)NCc1ncccc1F 34a_100000690088_100009893172 [0,2,0,0,0,0|2,0,0]=4 38908 B14R1.598 CC(CCO)OCc1ccccc1Br 34a_100000756307_100009893172 [0,2,0,0,0,0|1,0,0]=3 38909 B14R1.598 CC(CCO)OCc1ccccc1Br 7a_100000756307_100009893172 [0,2,0,0,0,0|1,0,0]=3 38910 B14R1.598 CC(CCO)OCc1ccccc1Cl 34a_100000210847_100009893172 [0,2,0,0,0,0|1,0,0]=3 38911 B14R1.598 CC(CCO)OCc1ccccc1Cl 7a_100000210847_100009893172 [0,2,0,0,0,0|1,0,0]=3 38912 B14R1.598 CC(CCO)OCc1ccccc1F 34a_100000211962_100009893172 [0,2,0,0,0,0|1,0,0]=3 38913 B14R1.598 CC(CCO)OCc1ccccc1F 7a_100000211962_100009893172 [0,2,0,0,0,0|1,0,0]=3 38914 B14R1.598 CC(CCO)OCc1ccccc1I 34a_100000187465_100009893172 [0,2,0,0,0,0|1,0,0]=3 38915 B14R1.598 CC(CCO)OCc1ccccc1I 7a_100000187465_100009893172 [0,2,0,0,0,0|1,0,0]=3 38916 B14R1.598 CC(CCO)OCc1ccccc1N 34a_100000212039_100009893172 [0,2,0,0,0,0|1,0,0]=3 38917 B14R1.598 CC(CCO)OCc1cccnc1Br 34a_100000719692_100009893172 [0,2,0,0,0,0|2,0,0]=4 38918 B14R1.598 CC(CCO)OCc1cccnc1Br 7a_100000719692_100009893172 [0,2,0,0,0,0|2,0,0]=4 38919 B14R1.598 CC(CCO)OCc1cccnc1Cl 34a_100000748726_100009893172 [0,2,0,0,0,0|2,0,0]=4 38920 B14R1.598 CC(CCO)OCc1cccnc1Cl 7a_100000748726_100009893172 [0,2,0,0,0,0|2,0,0]=4 38921 B14R1.598 CC(CCO)OCc1cccnc1F 34a_100000079888_100009893172 [0,2,0,0,0,0|2,0,0]=4 38922 B14R1.598 CC(CCO)OCc1cccnc1F 7a_100000079888_100009893172 [0,2,0,0,0,0|2,0,0]=4 38923 B14R1.598 CC(CCO)OCc1ccncc1F 34a_100012172863_100009893172 [0,2,0,0,0,0|2,0,0]=4 38924 B14R1.598 CC(CCO)OCc1cnccc1Cl 34a_100000117392_100009893172 [0,2,0,0,0,0|2,0,0]=4 38925 B14R1.598 CC(CCO)OCc1ncccc1Br 34a_100011996772_100009893172 [0,2,0,0,0,0|2,0,0]=4 38926 B14R1.598 CC(CCO)OCc1ncccc1Cl 34a_100012002383_100009893172 [0,2,0,0,0,0|2,0,0]=4 38927 B14R1.598 CC(CCO)OCc1ncccc1F 34a_100011934865_100009893172 [0,2,0,0,0,0|2,0,0]=4 38928 B14R1.598 CC(CCO)OCc1ncccc1N 34a_114873767017_100009893172 [0,2,0,0,0,0|2,0,0]=4 38929 B14R1.598 CC(CCO)SCc1ccccc1Br 62a_100000184730_100009893172 [0,2,0,0,0,0|1,0,0]=3 38930 B14R1.598 CC(CCO)SCc1ccccc1Br 62a_100009893172_100000184730 [0,2,0,0,0,0|1,0,0]=3 38931 B14R1.598 CC(CCO)SCc1ccccc1Cl 62a_100000187162_100009893172 [0,2,0,0,0,0|1,0,0]=3 38932 B14R1.598 CC(CCO)SCc1ccccc1Cl 62a_100009893172_100000187162 [0,2,0,0,0,0|1,0,0]=3 38933 B14R1.598 CC(CCO)SCc1ccccc1F 62a_100000211605_100009893172 [0,2,0,0,0,0|1,0,0]=3 38934 B14R1.598 CC(CCO)SCc1ccccc1F 62a_100009893172_100000211605 [0,2,0,0,0,0|1,0,0]=3 38935 B14R1.598 CC(CCO)SCc1ccccc1I 62a_100009893172_100011216222 [0,2,0,0,0,0|1,0,0]=3 38936 B14R1.598 CC(CCO)SCc1ccccc1I 62a_100011216222_100009893172 [0,2,0,0,0,0|1,0,0]=3 38937 B14R1.598 CC(CCO)SCc1cccnc1Br 62a_100009893172_100010140945 [0,2,0,0,0,0|2,0,0]=4 38938 B14R1.598 CC(CCO)SCc1cccnc1Br 62a_100010140945_100009893172 [0,2,0,0,0,0|2,0,0]=4 38939 B14R1.598 CC(CCO)SCc1cccnc1Cl 62a_100000045678_100009893172 [0,2,0,0,0,0|2,0,0]=4 38940 B14R1.598 CC(CCO)SCc1cccnc1Cl 62a_100009893172_100000045678 [0,2,0,0,0,0|2,0,0]=4 38941 B14R1.598 CC(CCO)SCc1cccnc1F 62a_100000099810_100009893172 [0,2,0,0,0,0|2,0,0]=4 38942 B14R1.598 CC(CCO)SCc1cccnc1F 62a_100009893172_100000099810 [0,2,0,0,0,0|2,0,0]=4 38943 B14R1.598 CC(CCO)SCc1ccncc1Cl 62a_100000763264_100009893172 [0,2,0,0,0,0|2,0,0]=4 38944 B14R1.598 CC(CCO)SCc1ccncc1Cl 62a_100009893172_100000763264 [0,2,0,0,0,0|2,0,0]=4 38945 B14R1.598 CC(CCO)SCc1ncccc1Br 62a_100009893172_100025702911 [0,2,0,0,0,0|2,0,0]=4 38946 B14R1.598 CC(CCO)SCc1ncccc1Br 62a_100025702911_100009893172 [0,2,0,0,0,0|2,0,0]=4 38947 B14R1.598 CC(CCO)SCc1ncccc1Cl 62a_100000099807_100009893172 [0,2,0,0,0,0|2,0,0]=4 38948 B14R1.598 CC(CCO)SCc1ncccc1Cl 62a_100009893172_100000099807 [0,2,0,0,0,0|2,0,0]=4 38949 B14R1.598 CC(CCO)SCc1ncccc1F 62a_100000104219_100009893172 [0,2,0,0,0,0|2,0,0]=4 38950 B14R1.598 CC(CCO)SCc1ncccc1F 62a_100009893172_100000104219 [0,2,0,0,0,0|2,0,0]=4 38951 B14R1.598 CC(CCO)SCc1ncccc1O 62a_100009893172_200020655725 [0,2,0,0,0,0|2,0,0]=4 38952 B14R1.598 CC(CCO)SCc1ncccc1O 62a_200020655725_100009893172 [0,2,0,0,0,0|2,0,0]=4 38953 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000211992_100012161201 [0,2,0,0,0,0|1,0,1]=4 38954 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210303 [0,2,0,0,0,0|1,0,1]=4 38955 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000211992_100011713688 [0,2,0,0,0,0|1,0,1]=4 38956 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000748742_100000210303 [0,2,0,0,0,0|1,0,1]=4 38957 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210303 [0,2,0,0,0,0|1,0,1]=4 38958 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000211992_100011713703 [0,2,0,0,0,0|1,0,1]=4 38959 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000189703_100000210303 [0,2,0,0,0,0|1,0,1]=4 38960 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000211992_100000720011 [0,2,0,0,0,0|1,0,1]=4 38961 B14R1.598 CCCC(=O)CCc1ccccc1I 1458a_100000037306_100000210303 [0,2,0,0,0,0|1,0,1]=4 38962 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210303 [0,2,0,0,0,0|1,0,1]=4 38963 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000211992_100000722297 [0,2,0,0,0,0|1,0,1]=4 38964 B14R1.598 CCCC(C)CNc1ccccc1Br 34a_100000210017_100011216630 [0,2,0,0,0,0|2,0,0]=4 38965 B14R1.598 CCCC(C)CNc1ccccc1C 34a_100015192222_100011216630 [0,2,0,0,0,0|2,0,0]=4 38966 B14R1.598 CCCC(C)CNc1ccccc1Cl 34a_100000185783_100011216630 [0,2,0,0,0,0|2,0,0]=4 38967 B14R1.598 CCCC(C)CNc1ccccc1F 34a_100000210422_100011216630 [0,2,0,0,0,0|2,0,0]=4 38968 B14R1.598 CCCC(C)CNc1ccccc1I 34a_100000210053_100011216630 [0,2,0,0,0,0|2,0,0]=4 38969 B14R1.598 CCCC(C)CNc1ccccc1O 34a_100000185747_100011216630 [0,2,0,0,0,0|2,0,0]=4 38970 B14R1.598 CCCC(C)COc1ccccc1Br 34a_100000181306_100011216630 [0,2,0,0,0,0|2,0,0]=4 38971 B14R1.598 CCCC(C)COc1ccccc1Br 7a_100000181306_100011216630 [0,2,0,0,0,0|2,0,0]=4 38972 B14R1.598 CCCC(C)COc1ccccc1C 34a_100000210338_100011216630 [0,2,0,0,0,0|2,0,0]=4 38973 B14R1.598 CCCC(C)COc1ccccc1C 7a_100000210338_100011216630 [0,2,0,0,0,0|2,0,0]=4 38974 B14R1.598 CCCC(C)COc1ccccc1Cl 34a_100000210172_100011216630 [0,2,0,0,0,0|2,0,0]=4 38975 B14R1.598 CCCC(C)COc1ccccc1Cl 7a_100000210172_100011216630 [0,2,0,0,0,0|2,0,0]=4 38976 B14R1.598 CCCC(C)COc1ccccc1F 34a_100000210171_100011216630 [0,2,0,0,0,0|2,0,0]=4 38977 B14R1.598 CCCC(C)COc1ccccc1F 7a_100000210171_100011216630 [0,2,0,0,0,0|2,0,0]=4 38978 B14R1.598 CCCC(C)COc1ccccc1I 34a_100000739446_100011216630 [0,2,0,0,0,0|2,0,0]=4 38979 B14R1.598 CCCC(C)COc1ccccc1I 7a_100000739446_100011216630 [0,2,0,0,0,0|2,0,0]=4 38980 B14R1.598 CCCC(C)COc1ccccc1N 34a_100000185747_100011216630 [0,2,0,0,0,0|2,0,0]=4 38981 B14R1.598 CCCC(C)COc1ccccc1N 7a_100000185747_100011216630 [0,2,0,0,0,0|2,0,0]=4 38982 B14R1.598 CCCC(C)CSc1ccccc1Br 62a_100000695589_100011216630 [0,2,0,0,0,0|2,0,0]=4 38983 B14R1.598 CCCC(C)CSc1ccccc1Br 62a_100011216630_100000695589 [0,2,0,0,0,0|2,0,0]=4 38984 B14R1.598 CCCC(C)CSc1ccccc1C 62a_100000210755_100011216630 [0,2,0,0,0,0|2,0,0]=4 38985 B14R1.598 CCCC(C)CSc1ccccc1C 62a_100011216630_100000210755 [0,2,0,0,0,0|2,0,0]=4 38986 B14R1.598 CCCC(C)CSc1ccccc1Cl 62a_100000764095_100011216630 [0,2,0,0,0,0|2,0,0]=4 38987 B14R1.598 CCCC(C)CSc1ccccc1Cl 62a_100011216630_100000764095 [0,2,0,0,0,0|2,0,0]=4 38988 B14R1.598 CCCC(C)CSc1ccccc1F 62a_100011215700_100011216630 [0,2,0,0,0,0|2,0,0]=4 38989 B14R1.598 CCCC(C)CSc1ccccc1F 62a_100011216630_100011215700 [0,2,0,0,0,0|2,0,0]=4 38990 B14R1.598 CCCC(C)CSc1ccccc1N 62a_100000210017_100011216630 [0,2,0,0,0,0|2,0,0]=4 38991 B14R1.598 CCCC(C)CSc1ccccc1N 62a_100011216630_100000210017 [0,2,0,0,0,0|2,0,0]=4 38992 B14R1.598 CCCC(C)CSc1ccccc1O 62a_100000739446_100011216630 [0,2,0,0,0,0|2,0,0]=4 38993 B14R1.598 CCCC(C)CSc1ccccc1O 62a_100011216630_100000739446 [0,2,0,0,0,0|2,0,0]=4 38994 B14R1.598 CCCC(C)NCc1ccccc1Br 207a_100000741246_100000211189 [0,2,0,0,0,0|2,0,0]=4 38995 B14R1.598 CCCC(C)NCc1ccccc1Br 2230a_100000689332_100000766640 [0,2,0,0,0,0|2,0,0]=4 38996 B14R1.598 CCCC(C)NCc1ccccc1Br 2230a_100000741246_100000184730 [0,2,0,0,0,0|2,0,0]=4 38997 B14R1.598 CCCC(C)NCc1ccccc1Br 270004a_100000689332_100000211909 [0,2,0,0,0,0|2,0,0]=4 38998 B14R1.598 CCCC(C)NCc1ccccc1Br 270004a_100000741246_100000211189 [0,2,0,0,0,0|2,0,0]=4 38999 B14R1.598 CCCC(C)NCc1ccccc1Br 34a_100000689332_100000766640 [0,2,0,0,0,0|2,0,0]=4 39000 B14R1.598 CCCC(C)NCc1ccccc1C 207a_100000741246_100000211143 [0,2,0,0,0,0|2,0,0]=4 39001 B14R1.598 CCCC(C)NCc1ccccc1C 2230a_100000741246_100000211839 [0,2,0,0,0,0|2,0,0]=4 39002 B14R1.598 CCCC(C)NCc1ccccc1C 270004a_100000174972_100000211909 [0,2,0,0,0,0|2,0,0]=4 39003 B14R1.598 CCCC(C)NCc1ccccc1C 270004a_100000741246_100000211143 [0,2,0,0,0,0|2,0,0]=4 39004 B14R1.598 CCCC(C)NCc1ccccc1C 34a_100000174972_100000766640 [0,2,0,0,0,0|2,0,0]=4 39005 B14R1.598 CCCC(C)NCc1ccccc1Cl 207a_100000741246_100000210073 [0,2,0,0,0,0|2,0,0]=4 39006 B14R1.598 CCCC(C)NCc1ccccc1Cl 2230a_100000174879_100000766640 [0,2,0,0,0,0|2,0,0]=4 39007 B14R1.598 CCCC(C)NCc1ccccc1Cl 2230a_100000741246_100000187162 [0,2,0,0,0,0|2,0,0]=4 39008 B14R1.598 CCCC(C)NCc1ccccc1Cl 270004a_100000174879_100000211909 [0,2,0,0,0,0|2,0,0]=4 39009 B14R1.598 CCCC(C)NCc1ccccc1Cl 270004a_100000741246_100000210073 [0,2,0,0,0,0|2,0,0]=4 39010 B14R1.598 CCCC(C)NCc1ccccc1Cl 34a_100000174879_100000766640 [0,2,0,0,0,0|2,0,0]=4 39011 B14R1.598 CCCC(C)NCc1ccccc1F 207a_100000741246_100000210811 [0,2,0,0,0,0|2,0,0]=4 39012 B14R1.598 CCCC(C)NCc1ccccc1F 2230a_100000741246_100000211605 [0,2,0,0,0,0|2,0,0]=4 39013 B14R1.598 CCCC(C)NCc1ccccc1F 270004a_100000174869_100000211909 [0,2,0,0,0,0|2,0,0]=4 39014 B14R1.598 CCCC(C)NCc1ccccc1F 270004a_100000741246_100000210811 [0,2,0,0,0,0|2,0,0]=4 39015 B14R1.598 CCCC(C)NCc1ccccc1F 34a_100000174869_100000766640 [0,2,0,0,0,0|2,0,0]=4 39016 B14R1.598 CCCC(C)NCc1ccccc1I 207a_100000741246_100000010305 [0,2,0,0,0,0|2,0,0]=4 39017 B14R1.598 CCCC(C)NCc1ccccc1I 2230a_100000741246_100011215278 [0,2,0,0,0,0|2,0,0]=4 39018 B14R1.598 CCCC(C)NCc1ccccc1I 270004a_100000741246_100000010305 [0,2,0,0,0,0|2,0,0]=4 39019 B14R1.598 CCCC(C)NCc1ccccc1I 270004a_100015347259_100000211909 [0,2,0,0,0,0|2,0,0]=4 39020 B14R1.598 CCCC(C)NCc1ccccc1O 270004a_100000185550_100000211909 [0,2,0,0,0,0|2,0,0]=4 39021 B14R1.598 CCCC(C)NCc1ccccc1O 34a_100000185550_100000766640 [0,2,0,0,0,0|2,0,0]=4 39022 B14R1.598 CCCC(C)OCc1ccccc1Br 34a_100000756307_100000766640 [0,2,0,0,0,0|2,0,0]=4 39023 B14R1.598 CCCC(C)OCc1ccccc1Br 34a_100000764384_100000184730 [0,2,0,0,0,0|2,0,0]=4 39024 B14R1.598 CCCC(C)OCc1ccccc1Br 7a_100000756307_100000766640 [0,2,0,0,0,0|2,0,0]=4 39025 B14R1.598 CCCC(C)OCc1ccccc1Br 7a_100000764384_100000184730 [0,2,0,0,0,0|2,0,0]=4 39026 B14R1.598 CCCC(C)OCc1ccccc1C 34a_100000698903_100000766640 [0,2,0,0,0,0|2,0,0]=4 39027 B14R1.598 CCCC(C)OCc1ccccc1C 34a_100000764384_100000211839 [0,2,0,0,0,0|2,0,0]=4 39028 B14R1.598 CCCC(C)OCc1ccccc1C 7a_100000698903_100000766640 [0,2,0,0,0,0|2,0,0]=4 39029 B14R1.598 CCCC(C)OCc1ccccc1C 7a_100000764384_100000211839 [0,2,0,0,0,0|2,0,0]=4 39030 B14R1.598 CCCC(C)OCc1ccccc1Cl 34a_100000210847_100000766640 [0,2,0,0,0,0|2,0,0]=4 39031 B14R1.598 CCCC(C)OCc1ccccc1Cl 34a_100000764384_100000187162 [0,2,0,0,0,0|2,0,0]=4 39032 B14R1.598 CCCC(C)OCc1ccccc1Cl 7a_100000210847_100000766640 [0,2,0,0,0,0|2,0,0]=4 39033 B14R1.598 CCCC(C)OCc1ccccc1Cl 7a_100000764384_100000187162 [0,2,0,0,0,0|2,0,0]=4 39034 B14R1.598 CCCC(C)OCc1ccccc1F 34a_100000211962_100000766640 [0,2,0,0,0,0|2,0,0]=4 39035 B14R1.598 CCCC(C)OCc1ccccc1F 34a_100000764384_100000211605 [0,2,0,0,0,0|2,0,0]=4 39036 B14R1.598 CCCC(C)OCc1ccccc1F 7a_100000211962_100000766640 [0,2,0,0,0,0|2,0,0]=4 39037 B14R1.598 CCCC(C)OCc1ccccc1F 7a_100000764384_100000211605 [0,2,0,0,0,0|2,0,0]=4 39038 B14R1.598 CCCC(C)OCc1ccccc1I 34a_100000187465_100000766640 [0,2,0,0,0,0|2,0,0]=4 39039 B14R1.598 CCCC(C)OCc1ccccc1I 34a_100000764384_100011215278 [0,2,0,0,0,0|2,0,0]=4 39040 B14R1.598 CCCC(C)OCc1ccccc1I 7a_100000187465_100000766640 [0,2,0,0,0,0|2,0,0]=4 39041 B14R1.598 CCCC(C)OCc1ccccc1I 7a_100000764384_100011215278 [0,2,0,0,0,0|2,0,0]=4 39042 B14R1.598 CCCC(C)OCc1ccccc1N 34a_100000212039_100000766640 [0,2,0,0,0,0|2,0,0]=4 39043 B14R1.598 CCCC(C)SCc1ccccc1Br 62a_100000184730_100000766640 [0,2,0,0,0,0|2,0,0]=4 39044 B14R1.598 CCCC(C)SCc1ccccc1Br 62a_100000766640_100000184730 [0,2,0,0,0,0|2,0,0]=4 39045 B14R1.598 CCCC(C)SCc1ccccc1C 62a_100000211839_100000766640 [0,2,0,0,0,0|2,0,0]=4 39046 B14R1.598 CCCC(C)SCc1ccccc1C 62a_100000766640_100000211839 [0,2,0,0,0,0|2,0,0]=4 39047 B14R1.598 CCCC(C)SCc1ccccc1Cl 62a_100000187162_100000766640 [0,2,0,0,0,0|2,0,0]=4 39048 B14R1.598 CCCC(C)SCc1ccccc1Cl 62a_100000766640_100000187162 [0,2,0,0,0,0|2,0,0]=4 39049 B14R1.598 CCCC(C)SCc1ccccc1F 62a_100000211605_100000766640 [0,2,0,0,0,0|2,0,0]=4 39050 B14R1.598 CCCC(C)SCc1ccccc1F 62a_100000766640_100000211605 [0,2,0,0,0,0|2,0,0]=4 39051 B14R1.598 CCCC(C)SCc1ccccc1I 62a_100000766640_100011216222 [0,2,0,0,0,0|2,0,0]=4 39052 B14R1.598 CCCC(C)SCc1ccccc1I 62a_100011216222_100000766640 [0,2,0,0,0,0|2,0,0]=4 39053 B14R1.598 CCCN(C)CCc1ccccc1Br 2230a_100000747261_100012161201 [0,2,0,0,0,0|2,0,0]=4 39054 B14R1.598 CCCN(C)CCc1ccccc1Br 269982a_100000747261_100012161201 [0,2,0,0,0,0|2,0,0]=4 39055 B14R1.598 CCCN(C)CCc1ccccc1C 2230a_100000747261_100011713688 [0,2,0,0,0,0|2,0,0]=4 39056 B14R1.598 CCCN(C)CCc1ccccc1C 269982a_100000747261_100011713688 [0,2,0,0,0,0|2,0,0]=4 39057 B14R1.598 CCCN(C)CCc1ccccc1Cl 2230a_100000747261_100011713703 [0,2,0,0,0,0|2,0,0]=4 39058 B14R1.598 CCCN(C)CCc1ccccc1Cl 269982a_100000747261_100011713703 [0,2,0,0,0,0|2,0,0]=4 39059 B14R1.598 CCCN(C)CCc1ccccc1Cl 270004a_100000747261_200011713468 [0,2,0,0,0,0|2,0,0]=4 39060 B14R1.598 CCCN(C)CCc1ccccc1F 2230a_100000232559_100000210303 [0,2,0,0,0,0|2,0,0]=4 39061 B14R1.598 CCCN(C)CCc1ccccc1F 2230a_100000747261_100011713696 [0,2,0,0,0,0|2,0,0]=4 39062 B14R1.598 CCCN(C)CCc1ccccc1F 269982a_100000232559_100000210303 [0,2,0,0,0,0|2,0,0]=4 39063 B14R1.598 CCCN(C)CCc1ccccc1F 269982a_100000747261_100011713696 [0,2,0,0,0,0|2,0,0]=4 39064 B14R1.598 CCCN(C)CCc1ccccc1F 34a_100000232559_100000210303 [0,2,0,0,0,0|2,0,0]=4 39065 B14R1.598 CCCN(C)CCc1ccccc1O 269982a_100000747261_100000722297 [0,2,0,0,0,0|2,0,0]=4 39066 B14R1.598 CN(CCF)CCc1ccccc1F 2230a_100000232559_100011217306 [0,2,0,0,0,0|2,0,0]=4 39067 B14R1.598 CN(CCF)CCc1ccccc1F 269982a_100000232559_100011217306 [0,2,0,0,0,0|2,0,0]=4 39068 B14R1.598 CN(CCF)CCc1ccccc1F 34a_100000232559_100011217306 [0,2,0,0,0,0|2,0,0]=4 39069 B14R1.598 CN(CCO)CCc1ccccc1Br 2230a_100000210263_100012161201 [0,2,0,0,0,0|1,0,0]=3 39070 B14R1.598 CN(CCO)CCc1ccccc1Br 269982a_100000210263_100012161201 [0,2,0,0,0,0|1,0,0]=3 39071 B14R1.598 CN(CCO)CCc1ccccc1Cl 2230a_100000210263_100011713703 [0,2,0,0,0,0|1,0,0]=3 39072 B14R1.598 CN(CCO)CCc1ccccc1Cl 269982a_100000210263_100011713703 [0,2,0,0,0,0|1,0,0]=3 39073 B14R1.598 CN(CCO)CCc1ccccc1Cl 270004a_100000210263_200011713468 [0,2,0,0,0,0|1,0,0]=3 39074 B14R1.598 CN(CCO)CCc1ccccc1F 2230a_100000210263_100011713696 [0,2,0,0,0,0|1,0,0]=3 39075 B14R1.598 CN(CCO)CCc1ccccc1F 2230a_100000232559_100000211926 [0,2,0,0,0,0|1,0,0]=3 39076 B14R1.598 CN(CCO)CCc1ccccc1F 269982a_100000210263_100011713696 [0,2,0,0,0,0|1,0,0]=3 39077 B14R1.598 CN(CCO)CCc1ccccc1F 269982a_100000232559_100000211926 [0,2,0,0,0,0|1,0,0]=3 39078 B14R1.598 CN(CCO)CCc1ccccc1F 34a_100000232559_100000211926 [0,2,0,0,0,0|1,0,0]=3 39079 B14R1.598 CN(CCO)CCc1ccccc1O 269982a_100000210263_100000722297 [0,2,0,0,0,0|1,0,0]=3 39080 B14R1.598 C[C@H](CCO)NCc1ccccc1Br 207a_100000706166_100000211189 [0,2,0,0,0,0|1,0,0]=3 39081 B14R1.598 C[C@H](CCO)NCc1ccccc1Br 2230a_100000706166_100000184730 [0,2,0,0,0,0|1,0,0]=3 39082 B14R1.598 C[C@H](CCO)NCc1ccccc1Br 270004a_100000706166_100000211189 [0,2,0,0,0,0|1,0,0]=3 39083 B14R1.598 C[C@H](CCO)NCc1ccccc1Br 34a_100000706166_100000184730 [0,2,0,0,0,0|1,0,0]=3 39084 B14R1.598 C[C@H](CCO)NCc1ccccc1Cl 207a_100000706166_100000210073 [0,2,0,0,0,0|1,0,0]=3 39085 B14R1.598 C[C@H](CCO)NCc1ccccc1Cl 2230a_100000706166_100000187162 [0,2,0,0,0,0|1,0,0]=3 39086 B14R1.598 C[C@H](CCO)NCc1ccccc1Cl 270004a_100000706166_100000210073 [0,2,0,0,0,0|1,0,0]=3 39087 B14R1.598 C[C@H](CCO)NCc1ccccc1Cl 34a_100000706166_100000187162 [0,2,0,0,0,0|1,0,0]=3 39088 B14R1.598 C[C@H](CCO)NCc1ccccc1F 207a_100000706166_100000210811 [0,2,0,0,0,0|1,0,0]=3 39089 B14R1.598 C[C@H](CCO)NCc1ccccc1F 2230a_100000706166_100000211605 [0,2,0,0,0,0|1,0,0]=3 39090 B14R1.598 C[C@H](CCO)NCc1ccccc1F 270004a_100000706166_100000210811 [0,2,0,0,0,0|1,0,0]=3 39091 B14R1.598 C[C@H](CCO)NCc1ccccc1F 34a_100000706166_100000211605 [0,2,0,0,0,0|1,0,0]=3 39092 B14R1.598 C[C@H](CCO)NCc1ccccc1I 207a_100000706166_100000010305 [0,2,0,0,0,0|1,0,0]=3 39093 B14R1.598 C[C@H](CCO)NCc1ccccc1I 2230a_100000706166_100011215278 [0,2,0,0,0,0|1,0,0]=3 39094 B14R1.598 C[C@H](CCO)NCc1ccccc1I 270004a_100000706166_100000010305 [0,2,0,0,0,0|1,0,0]=3 39095 B14R1.598 C[C@H](CCO)NCc1ccccc1I 34a_100000706166_100011215278 [0,2,0,0,0,0|1,0,0]=3 39096 B14R1.598 C[C@H](CCO)NCc1cccnc1Br 2230a_100000706166_100010140945 [0,2,0,0,0,0|2,0,0]=4 39097 B14R1.598 C[C@H](CCO)NCc1cccnc1Br 34a_100000706166_100010140945 [0,2,0,0,0,0|2,0,0]=4 39098 B14R1.598 C[C@H](CCO)NCc1cccnc1Cl 2230a_100000706166_100000045678 [0,2,0,0,0,0|2,0,0]=4 39099 B14R1.598 C[C@H](CCO)NCc1cccnc1Cl 34a_100000706166_100000045678 [0,2,0,0,0,0|2,0,0]=4 39100 B14R1.598 C[C@H](CCO)NCc1cccnc1F 2230a_100000706166_100000099810 [0,2,0,0,0,0|2,0,0]=4 39101 B14R1.598 C[C@H](CCO)NCc1cccnc1F 34a_100000706166_100000099810 [0,2,0,0,0,0|2,0,0]=4 39102 B14R1.598 C[C@H](CCO)NCc1cccnc1O 207a_100000706166_100011998315 [0,2,0,0,0,0|2,0,0]=4 39103 B14R1.598 C[C@H](CCO)NCc1cccnc1O 270004a_100000706166_100011998315 [0,2,0,0,0,0|2,0,0]=4 39104 B14R1.598 C[C@H](CCO)NCc1ccncc1Br 270004a_100000706166_100000755692 [0,2,0,0,0,0|2,0,0]=4 39105 B14R1.598 C[C@H](CCO)NCc1ccncc1Cl 207a_100000706166_100011934409 [0,2,0,0,0,0|2,0,0]=4 39106 B14R1.598 C[C@H](CCO)NCc1ccncc1Cl 2230a_100000706166_100000763264 [0,2,0,0,0,0|2,0,0]=4 39107 B14R1.598 C[C@H](CCO)NCc1ccncc1Cl 270004a_100000706166_100011934409 [0,2,0,0,0,0|2,0,0]=4 39108 B14R1.598 C[C@H](CCO)NCc1cnccc1Br 270004a_100000706166_100009816821 [0,2,0,0,0,0|2,0,0]=4 39109 B14R1.598 C[C@H](CCO)NCc1cnccc1Cl 270004a_100000706166_100000050567 [0,2,0,0,0,0|2,0,0]=4 39110 B14R1.598 C[C@H](CCO)NCc1ncccc1Br 207a_100000706166_100011934733 [0,2,0,0,0,0|2,0,0]=4 39111 B14R1.598 C[C@H](CCO)NCc1ncccc1Br 2230a_100000706166_100025702911 [0,2,0,0,0,0|2,0,0]=4 39112 B14R1.598 C[C@H](CCO)NCc1ncccc1Br 270004a_100000706166_100011934733 [0,2,0,0,0,0|2,0,0]=4 39113 B14R1.598 C[C@H](CCO)NCc1ncccc1Br 34a_100000706166_100025702911 [0,2,0,0,0,0|2,0,0]=4 39114 B14R1.598 C[C@H](CCO)NCc1ncccc1Cl 207a_100000706166_100012001307 [0,2,0,0,0,0|2,0,0]=4 39115 B14R1.598 C[C@H](CCO)NCc1ncccc1Cl 2230a_100000706166_100000099807 [0,2,0,0,0,0|2,0,0]=4 39116 B14R1.598 C[C@H](CCO)NCc1ncccc1Cl 270004a_100000706166_100012001307 [0,2,0,0,0,0|2,0,0]=4 39117 B14R1.598 C[C@H](CCO)NCc1ncccc1F 207a_100000706166_100011934734 [0,2,0,0,0,0|2,0,0]=4 39118 B14R1.598 C[C@H](CCO)NCc1ncccc1F 2230a_100000706166_100000104219 [0,2,0,0,0,0|2,0,0]=4 39119 B14R1.598 C[C@H](CCO)NCc1ncccc1F 270004a_100000706166_100011934734 [0,2,0,0,0,0|2,0,0]=4 39120 B14R1.598 C[C@H](CCO)NCc1ncccc1F 34a_100000706166_100000104219 [0,2,0,0,0,0|2,0,0]=4 39121 B14R1.598 C[C@H](CCO)NCc1ncccc1O 34a_100000706166_200020655725 [0,2,0,0,0,0|2,0,0]=4 39122 B14R1.598 Cc1ccccc1CCC(=O)CCF 1458a_100000748742_100011217306 [0,2,0,0,0,0|1,0,1]=4 39123 B14R1.598 Cc1ccccc1CCC(=O)CCO 1458a_100000748742_100000211926 [0,2,0,0,0,0|0,0,1]=3 39124 B14R1.598 Cc1ccccc1CCC(=O)CCO 1458a_100011216618_100011713688 [0,2,0,0,0,0|0,0,1]=3 39125 B14R1.598 Cc1ccccc1CCN(C)CCO 2230a_100000210263_100011713688 [0,2,0,0,0,0|1,0,0]=3 39126 B14R1.598 Cc1ccccc1CCN(C)CCO 269982a_100000210263_100011713688 [0,2,0,0,0,0|1,0,0]=3 39127 B14R1.598 Cc1ccccc1CNC(=O)CCO 240690a_100000174972_100011216618 [0,2,0,0,0,0|1,0,1]=4 39128 B14R1.598 Cc1ccccc1CNC(C)CCO 34a_100000174972_100009893172 [0,2,0,0,0,0|1,0,0]=3 39129 B14R1.598 Cc1ccccc1CN[C@H](C)CCO 207a_100000706166_100000211143 [0,2,0,0,0,0|1,0,0]=3 39130 B14R1.598 Cc1ccccc1CN[C@H](C)CCO 2230a_100000706166_100000211839 [0,2,0,0,0,0|1,0,0]=3 39131 B14R1.598 Cc1ccccc1CN[C@H](C)CCO 270004a_100000706166_100000211143 [0,2,0,0,0,0|1,0,0]=3 39132 B14R1.598 Cc1ccccc1CN[C@H](C)CCO 34a_100000706166_100000211839 [0,2,0,0,0,0|1,0,0]=3 39133 B14R1.598 Cc1ccccc1COC(C)CCBr 34a_100012276601_100000211839 [0,2,0,0,0,0|2,0,0]=4 39134 B14R1.598 Cc1ccccc1COC(C)CCO 34a_100000698903_100009893172 [0,2,0,0,0,0|1,0,0]=3 39135 B14R1.598 Cc1ccccc1COC(C)CCO 7a_100000698903_100009893172 [0,2,0,0,0,0|1,0,0]=3 39136 B14R1.598 Cc1ccccc1CSC(C)CCO 62a_100000211839_100009893172 [0,2,0,0,0,0|1,0,0]=3 39137 B14R1.598 Cc1ccccc1CSC(C)CCO 62a_100009893172_100000211839 [0,2,0,0,0,0|1,0,0]=3 39138 B14R1.598 Cc1ccccc1OCC(=O)CCO 1458a_100000182418_100000211926 [0,2,0,0,0,0|1,0,1]=4 39139 B14R1.598 Cc1ccccc1SCC(=O)CCO 1458a_100000183026_100000211926 [0,2,0,0,0,0|1,0,1]=4 39140 B14R1.598 Cc1cccnc1CNC(C)CCO 34a_100011223789_100009893172 [0,2,0,0,0,0|2,0,0]=4 39141 B14R1.598 Cc1cccnc1CN[C@H](C)CCO 207a_100000706166_100000698913 [0,2,0,0,0,0|2,0,0]=4 39142 B14R1.598 Cc1cccnc1CN[C@H](C)CCO 2230a_100000706166_100000696600 [0,2,0,0,0,0|2,0,0]=4 39143 B14R1.598 Cc1cccnc1CN[C@H](C)CCO 270004a_100000706166_100000698913 [0,2,0,0,0,0|2,0,0]=4 39144 B14R1.598 Cc1cccnc1CN[C@H](C)CCO 34a_100000706166_100000696600 [0,2,0,0,0,0|2,0,0]=4 39145 B14R1.598 Cc1cccnc1COC(C)CCO 34a_100000698912_100009893172 [0,2,0,0,0,0|2,0,0]=4 39146 B14R1.598 Cc1cccnc1CSC(C)CCO 62a_100000696600_100009893172 [0,2,0,0,0,0|2,0,0]=4 39147 B14R1.598 Cc1cccnc1CSC(C)CCO 62a_100009893172_100000696600 [0,2,0,0,0,0|2,0,0]=4 39148 B14R1.598 Cc1ccncc1CN[C@H](C)CCO 207a_100000706166_100000685662 [0,2,0,0,0,0|2,0,0]=4 39149 B14R1.598 Cc1ccncc1CN[C@H](C)CCO 2230a_100000706166_100000690890 [0,2,0,0,0,0|2,0,0]=4 39150 B14R1.598 Cc1ccncc1CN[C@H](C)CCO 270004a_100000706166_100000685662 [0,2,0,0,0,0|2,0,0]=4 39151 B14R1.598 Cc1ccncc1CN[C@H](C)CCO 34a_100000706166_100000690890 [0,2,0,0,0,0|2,0,0]=4 39152 B14R1.598 Cc1ccncc1COC(C)CCO 34a_100011996381_100009893172 [0,2,0,0,0,0|2,0,0]=4 39153 B14R1.598 Cc1ccncc1CSC(C)CCO 62a_100000690890_100009893172 [0,2,0,0,0,0|2,0,0]=4 39154 B14R1.598 Cc1ccncc1CSC(C)CCO 62a_100009893172_100000690890 [0,2,0,0,0,0|2,0,0]=4 39155 B14R1.598 Cc1cnccc1CN[C@H](C)CCO 2230a_100000706166_100020672808 [0,2,0,0,0,0|2,0,0]=4 39156 B14R1.598 Cc1cnccc1CN[C@H](C)CCO 34a_100000706166_100020672809 [0,2,0,0,0,0|2,0,0]=4 39157 B14R1.598 Cc1cnccc1COC(C)CCO 34a_100011997032_100009893172 [0,2,0,0,0,0|2,0,0]=4 39158 B14R1.598 Cc1cnccc1CSC(C)CCO 62a_100009893172_100020672808 [0,2,0,0,0,0|2,0,0]=4 39159 B14R1.598 Cc1cnccc1CSC(C)CCO 62a_100020672808_100009893172 [0,2,0,0,0,0|2,0,0]=4 39160 B14R1.598 Cc1ncccc1CN[C@H](C)CCO 207a_100000706166_100000751968 [0,2,0,0,0,0|2,0,0]=4 39161 B14R1.598 Cc1ncccc1CN[C@H](C)CCO 2230a_100000706166_100000732876 [0,2,0,0,0,0|2,0,0]=4 39162 B14R1.598 Cc1ncccc1CN[C@H](C)CCO 270004a_100000706166_100000751968 [0,2,0,0,0,0|2,0,0]=4 39163 B14R1.598 Cc1ncccc1CN[C@H](C)CCO 34a_100000706166_100000732876 [0,2,0,0,0,0|2,0,0]=4 39164 B14R1.598 Cc1ncccc1COC(C)CCO 34a_100000729262_100009893172 [0,2,0,0,0,0|2,0,0]=4 39165 B14R1.598 Cc1ncccc1COC(C)CCO 7a_100000729262_100009893172 [0,2,0,0,0,0|2,0,0]=4 39166 B14R1.598 Cc1ncccc1CSC(C)CCO 62a_100000732876_100009893172 [0,2,0,0,0,0|2,0,0]=4 39167 B14R1.598 Cc1ncccc1CSC(C)CCO 62a_100009893172_100000732876 [0,2,0,0,0,0|2,0,0]=4 39168 B14R1.598 O=C(CCF)CCc1ccccc1Br 1458a_100000740810_100011217306 [0,2,0,0,0,0|1,0,1]=4 39169 B14R1.598 O=C(CCF)CCc1ccccc1Cl 1458a_100000184300_100011217306 [0,2,0,0,0,0|1,0,1]=4 39170 B14R1.598 O=C(CCF)CCc1ccccc1F 1458a_100000189703_100011217306 [0,2,0,0,0,0|1,0,1]=4 39171 B14R1.598 O=C(CCF)CCc1ccccc1I 1458a_100000037306_100011217306 [0,2,0,0,0,0|1,0,1]=4 39172 B14R1.598 O=C(CCF)CCc1ccccc1O 1458a_100000181328_100011217306 [0,2,0,0,0,0|1,0,1]=4 39173 B14R1.598 O=C(CCO)CCc1ccccc1Br 1458a_100000740810_100000211926 [0,2,0,0,0,0|0,0,1]=3 39174 B14R1.598 O=C(CCO)CCc1ccccc1Br 1458a_100011216618_100012161201 [0,2,0,0,0,0|0,0,1]=3 39175 B14R1.598 O=C(CCO)CCc1ccccc1Cl 1458a_100000184300_100000211926 [0,2,0,0,0,0|0,0,1]=3 39176 B14R1.598 O=C(CCO)CCc1ccccc1Cl 1458a_100011216618_100011713703 [0,2,0,0,0,0|0,0,1]=3 39177 B14R1.598 O=C(CCO)CCc1ccccc1F 1458a_100000189703_100000211926 [0,2,0,0,0,0|0,0,1]=3 39178 B14R1.598 O=C(CCO)CCc1ccccc1F 1458a_100011216618_100000720011 [0,2,0,0,0,0|0,0,1]=3 39179 B14R1.598 O=C(CCO)CCc1ccccc1I 1458a_100000037306_100000211926 [0,2,0,0,0,0|0,0,1]=3 39180 B14R1.598 O=C(CCO)CCc1ccccc1O 1458a_100000181328_100000211926 [0,2,0,0,0,0|0,0,1]=3 39181 B14R1.598 O=C(CCO)CCc1ccccc1O 1458a_100011216618_100000722297 [0,2,0,0,0,0|0,0,1]=3 39182 B14R1.598 O=C(CCO)CCn1ccccc1=O 1458a_100000738505_100000211926 [0,2,0,0,0,0|1,0,1]=4 39183 B14R1.598 O=C(CCO)COc1ccccc1Br 1458a_100000216496_100000211926 [0,2,0,0,0,0|1,0,1]=4 39184 B14R1.598 O=C(CCO)COc1ccccc1Cl 1458a_100000185159_100000211926 [0,2,0,0,0,0|1,0,1]=4 39185 B14R1.598 O=C(CCO)COc1ccccc1F 1458a_100000182486_100000211926 [0,2,0,0,0,0|1,0,1]=4 39186 B14R1.598 O=C(CCO)COc1ccccc1O 1458a_100000183020_100000211926 [0,2,0,0,0,0|1,0,1]=4 39187 B14R1.598 O=C(CCO)CSc1ccccc1F 1458a_100000179528_100000211926 [0,2,0,0,0,0|1,0,1]=4 39188 B14R1.598 O=C(CCO)CSc1ccccc1O 1458a_100000695322_100000211926 [0,2,0,0,0,0|1,0,1]=4 39189 B14R1.598 O=C(CCO)NCc1ccccc1Br 240690a_100000689332_100011216618 [0,2,0,0,0,0|1,0,1]=4 39190 B14R1.598 O=C(CCO)NCc1ccccc1Cl 240690a_100000174879_100011216618 [0,2,0,0,0,0|1,0,1]=4 39191 B14R1.598 O=C(CCO)NCc1ccccc1F 240690a_100000174869_100011216618 [0,2,0,0,0,0|1,0,1]=4 39192 B14R1.598 O=C(CCO)NCc1ccccc1I 240690a_100015347259_100011216618 [0,2,0,0,0,0|1,0,1]=4 39193 B14R1.598 O=C(CCO)NCc1ccccc1O 240690a_100000185550_100011216618 [0,2,0,0,0,0|1,0,1]=4 39194 B14R1.756 CC(CCc1ccccc1)C(=O)CF 1458a_100011435293_100015361967 [0,2,0,0,0,0|1,0,1]=4 39195 B14R1.756 CC(CO)N(C)CCc1ccccc1 2230a_100000207497_100012180447 [0,2,0,0,0,0|1,0,0]=3 39196 B14R1.756 CC(CO)N(C)CCc1ccccc1 2230a_100000693034_100000765856 [0,2,0,0,0,0|1,0,0]=3 39197 B14R1.756 CC(CO)N(C)CCc1ccccc1 269982a_100000693034_100000765856 [0,2,0,0,0,0|1,0,0]=3 39198 B14R1.756 CC(CO)N(C)CCc1ccccn1 2230a_100000693034_100015183660 [0,2,0,0,0,0|2,0,0]=4 39199 B14R1.756 CC(CO)N(C)CCc1ccccn1 2230a_100000737206_100012180447 [0,2,0,0,0,0|2,0,0]=4 39200 B14R1.756 CC(CO)N(C)CCc1ccccn1 269982a_100000693034_100015183660 [0,2,0,0,0,0|2,0,0]=4 39201 B14R1.756 CC(CO)N(C)CCc1cccnc1 2230a_100000693034_200011713674 [0,2,0,0,0,0|2,0,0]=4 39202 B14R1.756 CC(CO)N(C)CCc1cccnc1 2230a_100000763209_100012180447 [0,2,0,0,0,0|2,0,0]=4 39203 B14R1.756 CC(CO)N(C)CCc1cccnc1 269982a_100000693034_200011713674 [0,2,0,0,0,0|2,0,0]=4 39204 B14R1.756 CC(CO)N(C)CCc1ccncc1 2230a_100000693034_100000723409 [0,2,0,0,0,0|2,0,0]=4 39205 B14R1.756 CC(CO)N(C)CCc1ccncc1 2230a_100000742850_100012180447 [0,2,0,0,0,0|2,0,0]=4 39206 B14R1.756 CC(CO)N(C)CCc1ccncc1 269982a_100000693034_100000723409 [0,2,0,0,0,0|2,0,0]=4 39207 B14R1.756 CC(CO)N(C)CSc1ccccc1 2230a_100000693034_100011218342 [0,2,0,0,0,0|2,0,0]=4 39208 B14R1.756 CC(CO)N(C)CSc1ccccc1 269982a_100000693034_100011218342 [0,2,0,0,0,0|2,0,0]=4 39209 B14R1.756 CCC(=O)C(C)CCc1ccccc1 1458a_100011435293_100000210202 [0,2,0,0,0,0|1,0,1]=4 39210 B14R1.756 CCC(=O)C(O)CCc1ccccc1 1458a_100000242596_100000210202 [0,2,0,0,0,0|1,0,1]=4 39211 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000758301 [0,2,0,0,0,0|1,0,1]=4 39212 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100011192722_100000765856 [0,2,0,0,0,0|1,0,1]=4 39213 B14R1.756 CCC(C)C(C)NCc1ccccc1 269862a_100015324214_100000210599 [0,2,0,0,0,0|2,0,0]=4 39214 B14R1.756 CCC(C)C(C)NCc1ccccc1 270004a_100015324214_100000210599 [0,2,0,0,0,0|2,0,0]=4 39215 B14R1.756 CCC(C)C(C)OCc1ccccc1 7a_100011215189_100000211182 [0,2,0,0,0,0|2,0,0]=4 39216 B14R1.756 CCC(C)N(C)CCc1ccccc1 2230a_100000207497_100000758301 [0,2,0,0,0,0|2,0,0]=4 39217 B14R1.756 CCC(C)N(C)CCc1ccccc1 2230a_100000741768_100000765856 [0,2,0,0,0,0|2,0,0]=4 39218 B14R1.756 CCC(C)N(C)CCc1ccccc1 269982a_100000207497_100000758301 [0,2,0,0,0,0|2,0,0]=4 39219 B14R1.756 CCC(C)N(C)CCc1ccccc1 269982a_100000741768_100000765856 [0,2,0,0,0,0|2,0,0]=4 39220 B14R1.756 CCC(O)C(=O)CCc1ccccc1 1458a_100011196387_100000765856 [0,2,0,0,0,0|1,0,1]=4 39221 B14R1.756 CN(CCc1ccccc1)C(=O)CO 240690a_100000207497_100000210174 [0,2,0,0,0,0|1,0,1]=4 39222 B14R1.756 CN(CCc1ccccc1)C(=O)CO 527a_100000207497_100000210174 [0,2,0,0,0,0|1,0,1]=4 39223 B14R1.756 C[C@H](CO)N(C)CCc1ccccc1 269982a_100000207497_100016084084 [0,2,0,0,0,0|1,0,0]=3 39224 B14R1.756 C[C@H](CO)N(C)CCc1ccccn1 269982a_100000737206_100016084084 [0,2,0,0,0,0|2,0,0]=4 39225 B14R1.756 C[C@H](CO)N(C)CCc1cccnc1 269982a_100000763209_100016084084 [0,2,0,0,0,0|2,0,0]=4 39226 B14R1.756 C[C@H](CO)N(C)CCc1ccncc1 269982a_100000742850_100016084084 [0,2,0,0,0,0|2,0,0]=4 39227 B14R1.756 O=C(CCc1ccccc1)C(O)CO 1458a_100011215603_100000765856 [0,2,0,0,0,0|0,0,1]=3 39228 B14R1.756 O=C(CCc1ccccn1)C(O)CO 1458a_100011215603_100015183660 [0,2,0,0,0,0|1,0,1]=4 39229 B14R1.756 O=C(CCc1cccnc1)C(O)CO 1458a_100011215603_200011713674 [0,2,0,0,0,0|1,0,1]=4 39230 B14R1.756 O=C(CCc1ccncc1)C(O)CO 1458a_100011215603_100000723409 [0,2,0,0,0,0|1,0,1]=4 39231 B14R1.756 O=C(CF)C(O)CCc1ccccc1 1458a_100000242596_100015361967 [0,2,0,0,0,0|1,0,1]=4 39232 B14R1.756 O=C(NCc1ccccc1)C(O)CO 240690a_100015324214_100011215603 [0,2,0,0,0,0|1,0,1]=4 39233 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000210624 [0,2,0,0,0,0|1,0,1]=4 39234 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000210554_100000765856 [0,2,0,0,0,0|1,0,1]=4 39235 B14R1.818 CC(C)CC(C)NCc1ccccc1 207a_100000692259_100015611070 [0,2,0,0,0,0|2,0,0]=4 39236 B14R1.818 CC(C)CC(C)NCc1ccccc1 2230a_100000692259_100015291786 [0,2,0,0,0,0|2,0,0]=4 39237 B14R1.818 CC(C)CC(C)NCc1ccccc1 2230a_100015324214_100000731052 [0,2,0,0,0,0|2,0,0]=4 39238 B14R1.818 CC(C)CC(C)NCc1ccccc1 270004a_100000692259_100015611070 [0,2,0,0,0,0|2,0,0]=4 39239 B14R1.818 CC(C)CC(C)NCc1ccccc1 34a_100015324214_100000731052 [0,2,0,0,0,0|2,0,0]=4 39240 B14R1.818 CC(C)CC(C)OCc1ccccc1 34a_100000210790_100000731052 [0,2,0,0,0,0|2,0,0]=4 39241 B14R1.818 CC(C)CC(C)OCc1ccccc1 34a_100000211805_100015291786 [0,2,0,0,0,0|2,0,0]=4 39242 B14R1.818 CC(C)CC(C)OCc1ccccc1 7a_100000210790_100000731052 [0,2,0,0,0,0|2,0,0]=4 39243 B14R1.818 CC(C)CC(C)OCc1ccccc1 7a_100000211805_100000211182 [0,2,0,0,0,0|2,0,0]=4 39244 B14R1.818 CC(C)CC(C)SCc1ccccc1 62a_100000211182_100000731052 [0,2,0,0,0,0|2,0,0]=4 39245 B14R1.818 CC(C)CC(C)SCc1ccccc1 62a_100000731052_100015291786 [0,2,0,0,0,0|2,0,0]=4 39246 B14R1.818 CC(C)CN(C)CCc1ccccc1 2230a_100000200391_200000210301 [0,2,0,0,0,0|2,0,0]=4 39247 B14R1.818 CC(C)CN(C)CCc1ccccc1 2230a_100000207497_100000210760 [0,2,0,0,0,0|2,0,0]=4 39248 B14R1.818 CC(C)CN(C)CCc1ccccc1 2230a_100000747067_100000765856 [0,2,0,0,0,0|2,0,0]=4 39249 B14R1.818 CC(C)CN(C)CCc1ccccc1 269982a_100000200391_200000210301 [0,2,0,0,0,0|2,0,0]=4 39250 B14R1.818 CC(C)CN(C)CCc1ccccc1 269982a_100000207497_100000210624 [0,2,0,0,0,0|2,0,0]=4 39251 B14R1.818 CC(C)CN(C)CCc1ccccc1 269982a_100000747067_100000765856 [0,2,0,0,0,0|2,0,0]=4 39252 B14R1.818 CC(C)CN(C)CCc1ccccc1 270004a_100000207497_100000210432 [0,2,0,0,0,0|2,0,0]=4 39253 B14R1.818 CC(C)CN(C)CCc1ccccc1 34a_100000200391_200000210301 [0,2,0,0,0,0|2,0,0]=4 39254 B14R1.818 CC(C)CN([13CH3])CCc1ccccc1 2230a_100000200391_200025704644 [0,2,0,0,0,0|2,0,0]=4 39255 B14R1.818 CC(C)CN([13CH3])CCc1ccccc1 269982a_100000200391_200025704644 [0,2,0,0,0,0|2,0,0]=4 39256 B14R1.818 CC(C)CN([13CH3])CCc1ccccc1 34a_100000200391_200025704644 [0,2,0,0,0,0|2,0,0]=4 39257 B14R1.818 CC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000210206 [0,2,0,0,0,0|2,0,0]=4 39258 B14R1.818 CC(C)NC(C)CCc1ccccc1 34a_100000210798_100000210206 [0,2,0,0,0,0|2,0,0]=4 39259 B14R1.818 CC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_100000210206 [0,2,0,0,0,0|2,0,0]=4 39260 B14R1.818 CC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000210206 [0,2,0,0,0,0|2,0,0]=4 39261 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [0,2,0,0,0,0|0,0,1]=3 39262 B14R1.818 CC(O)CC(=O)CCc1ccccn1 1458a_100015195070_100011218427 [0,2,0,0,0,0|1,0,1]=4 39263 B14R1.818 CC(O)CC(=O)CCc1cccnc1 1458a_100000198484_100011218427 [0,2,0,0,0,0|1,0,1]=4 39264 B14R1.818 CC(O)CC(=O)CCc1ccncc1 1458a_100011225043_100011218427 [0,2,0,0,0,0|1,0,1]=4 39265 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [0,2,0,0,0,0|1,0,1]=4 39266 B14R1.818 CC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218427 [0,2,0,0,0,0|1,0,1]=4 39267 B14R1.818 CC(O)CN(C)CCc1ccccc1 2230a_100000207497_100011218427 [0,2,0,0,0,0|1,0,0]=3 39268 B14R1.818 CC(O)CN(C)CCc1ccccc1 2230a_100000227577_100000765856 [0,2,0,0,0,0|1,0,0]=3 39269 B14R1.818 CC(O)CN(C)CCc1ccccc1 269982a_100000207497_100011218427 [0,2,0,0,0,0|1,0,0]=3 39270 B14R1.818 CC(O)CN(C)CCc1ccccc1 269982a_100000227577_100000765856 [0,2,0,0,0,0|1,0,0]=3 39271 B14R1.818 CC(O)CN(C)CCc1ccccn1 2230a_100000227577_100015183660 [0,2,0,0,0,0|2,0,0]=4 39272 B14R1.818 CC(O)CN(C)CCc1ccccn1 2230a_100000737206_100011218427 [0,2,0,0,0,0|2,0,0]=4 39273 B14R1.818 CC(O)CN(C)CCc1ccccn1 269982a_100000227577_100015183660 [0,2,0,0,0,0|2,0,0]=4 39274 B14R1.818 CC(O)CN(C)CCc1ccccn1 269982a_100000737206_100011218427 [0,2,0,0,0,0|2,0,0]=4 39275 B14R1.818 CC(O)CN(C)CCc1cccnc1 2230a_100000227577_200011713674 [0,2,0,0,0,0|2,0,0]=4 39276 B14R1.818 CC(O)CN(C)CCc1cccnc1 2230a_100000763209_100011218427 [0,2,0,0,0,0|2,0,0]=4 39277 B14R1.818 CC(O)CN(C)CCc1cccnc1 269982a_100000227577_200011713674 [0,2,0,0,0,0|2,0,0]=4 39278 B14R1.818 CC(O)CN(C)CCc1cccnc1 269982a_100000763209_100011218427 [0,2,0,0,0,0|2,0,0]=4 39279 B14R1.818 CC(O)CN(C)CCc1ccncc1 2230a_100000227577_100000723409 [0,2,0,0,0,0|2,0,0]=4 39280 B14R1.818 CC(O)CN(C)CCc1ccncc1 2230a_100000742850_100011218427 [0,2,0,0,0,0|2,0,0]=4 39281 B14R1.818 CC(O)CN(C)CCc1ccncc1 269982a_100000227577_100000723409 [0,2,0,0,0,0|2,0,0]=4 39282 B14R1.818 CC(O)CN(C)CCc1ccncc1 269982a_100000742850_100011218427 [0,2,0,0,0,0|2,0,0]=4 39283 B14R1.818 CC(O)CN(C)CSc1ccccc1 2230a_100000227577_100011218342 [0,2,0,0,0,0|2,0,0]=4 39284 B14R1.818 CC(O)CN(C)CSc1ccccc1 269982a_100000227577_100011218342 [0,2,0,0,0,0|2,0,0]=4 39285 B14R1.818 CN(CCc1ccccc1)CC(=O)O 269956a_100000746989_100000765856 [0,2,0,0,0,0|1,0,1]=4 39286 B14R1.818 CN(CCc1ccccc1)CC(F)F 2230a_100000207497_100011934356 [0,2,0,0,0,0|2,0,0]=4 39287 B14R1.818 CN(CCc1ccccc1)CC(F)F 269982a_100000207497_100011934356 [0,2,0,0,0,0|2,0,0]=4 39288 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [0,2,0,0,0,0|0,0,1]=3 39289 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccn1 1458a_100011933948_100015183660 [0,2,0,0,0,0|1,0,1]=4 39290 B14R1.818 C[C@@H](O)CC(=O)CCc1cccnc1 1458a_100011933948_200011713674 [0,2,0,0,0,0|1,0,1]=4 39291 B14R1.818 C[C@@H](O)CC(=O)CCc1ccncc1 1458a_100011933948_100000723409 [0,2,0,0,0,0|1,0,1]=4 39292 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 240690a_100015324214_100011933948 [0,2,0,0,0,0|1,0,1]=4 39293 B14R1.818 C[C@@H](O)CN(C)CCc1ccccc1 2230a_100000207497_100009817552 [0,2,0,0,0,0|1,0,0]=3 39294 B14R1.818 C[C@@H](O)CN(C)CCc1ccccc1 269982a_100000207497_100009817552 [0,2,0,0,0,0|1,0,0]=3 39295 B14R1.818 C[C@@H](O)CN(C)CCc1ccccn1 2230a_100000737206_100009817552 [0,2,0,0,0,0|2,0,0]=4 39296 B14R1.818 C[C@@H](O)CN(C)CCc1ccccn1 269982a_100000737206_100009817552 [0,2,0,0,0,0|2,0,0]=4 39297 B14R1.818 C[C@@H](O)CN(C)CCc1cccnc1 2230a_100000763209_100009817552 [0,2,0,0,0,0|2,0,0]=4 39298 B14R1.818 C[C@@H](O)CN(C)CCc1cccnc1 269982a_100000763209_100009817552 [0,2,0,0,0,0|2,0,0]=4 39299 B14R1.818 C[C@@H](O)CN(C)CCc1ccncc1 2230a_100000742850_100009817552 [0,2,0,0,0,0|2,0,0]=4 39300 B14R1.818 C[C@@H](O)CN(C)CCc1ccncc1 269982a_100000742850_100009817552 [0,2,0,0,0,0|2,0,0]=4 39301 B14R1.818 O=C(CCc1ccccc1)CC(F)F 1458a_100000185753_100011934356 [0,2,0,0,0,0|1,0,1]=4 39302 B14R1.979 C#CC(CCC)OCc1ccccc1 34a_200011217317_100015291786 [0,2,0,0,0,0|2,0,0]=4 39303 B14R1.979 C#CC(CCC)OCc1ccccc1 7a_200011217317_100000211182 [0,2,0,0,0,0|2,0,0]=4 39304 B14R1.979 C=CC(CCC)OCc1ccccc1 34a_100011216692_100015291786 [0,2,0,0,0,0|2,0,0]=4 39305 B14R1.979 C=CC(CCC)OCc1ccccc1 7a_100011216692_100000211182 [0,2,0,0,0,0|2,0,0]=4 39306 B14R1.979 CCCC(C#N)OCc1ccccc1 34a_100000686963_100015291786 [0,2,0,0,0,0|2,0,0]=4 39307 B14R1.979 CCCC(C#N)OCc1ccccc1 7a_100000686963_100000211182 [0,2,0,0,0,0|2,0,0]=4 39308 B14R1.979 CCCC(CC)NCc1ccccc1 207a_100000747048_100015611070 [0,2,0,0,0,0|2,0,0]=4 39309 B14R1.979 CCCC(CC)NCc1ccccc1 2230a_100000747048_100015291786 [0,2,0,0,0,0|2,0,0]=4 39310 B14R1.979 CCCC(CC)NCc1ccccc1 270004a_100000747048_100015611070 [0,2,0,0,0,0|2,0,0]=4 39311 B14R1.979 CCCC(CC)NCc1ccccc1 270004a_100015324214_100000687865 [0,2,0,0,0,0|2,0,0]=4 39312 B14R1.979 CCCC(CC)OCc1ccccc1 34a_100000687864_100015291786 [0,2,0,0,0,0|2,0,0]=4 39313 B14R1.979 CCCC(CC)OCc1ccccc1 7a_100000210790_100011219200 [0,2,0,0,0,0|2,0,0]=4 39314 B14R1.979 CCCC(CC)OCc1ccccc1 7a_100000687864_100000211182 [0,2,0,0,0,0|2,0,0]=4 39315 B14R1.979 CCCC(CC)SCc1ccccc1 62a_100000211182_100011219200 [0,2,0,0,0,0|2,0,0]=4 39316 B14R1.979 CCCC(CC)SCc1ccccc1 62a_100011219200_100015291786 [0,2,0,0,0,0|2,0,0]=4 39317 B14R1.979 CCCC(CCc1ccccc1)NC 270004a_106832991635_100000759375 [0,2,0,0,0,0|1,0,0]=3 39318 B14R1.979 CCCN(CC)CCc1ccccc1 2230a_100000226822_100000765856 [0,2,0,0,0,0|2,0,0]=4 39319 B14R1.979 CCCN(CC)CCc1ccccc1 2230a_100000741020_100000210303 [0,2,0,0,0,0|2,0,0]=4 39320 B14R1.979 CCCN(CC)CCc1ccccc1 269982a_100000226822_100000765856 [0,2,0,0,0,0|2,0,0]=4 39321 B14R1.979 CCCN(CC)CCc1ccccc1 269982a_100000741020_100000210303 [0,2,0,0,0,0|2,0,0]=4 39322 B14R1.979 CCC[C@@H](CO)NCc1ccccc1 207a_100000732646_100015611070 [0,2,0,0,0,0|2,0,0]=4 39323 B14R1.979 CCC[C@@H](CO)NCc1ccccc1 2230a_100000732646_100015291786 [0,2,0,0,0,0|2,0,0]=4 39324 B14R1.979 CCC[C@@H](CO)NCc1ccccc1 34a_100000732646_100015291786 [0,2,0,0,0,0|2,0,0]=4 39325 B14R1.979 CCN(CCF)CCc1ccccc1 2230a_100000741020_100011217306 [0,2,0,0,0,0|2,0,0]=4 39326 B14R1.979 CCN(CCF)CCc1ccccc1 269982a_100000741020_100011217306 [0,2,0,0,0,0|2,0,0]=4 39327 B14R1.979 CCN(CCO)CCc1ccccc1 2230a_100000210973_100000765856 [0,2,0,0,0,0|1,0,0]=3 39328 B14R1.979 CCN(CCO)CCc1ccccc1 2230a_100000741020_100000211926 [0,2,0,0,0,0|1,0,0]=3 39329 B14R1.979 CCN(CCO)CCc1ccccc1 269982a_100000210973_100000765856 [0,2,0,0,0,0|1,0,0]=3 39330 B14R1.979 CCN(CCO)CCc1ccccc1 269982a_100000741020_100000211926 [0,2,0,0,0,0|1,0,0]=3 39331 B14R1.979 CCN(CCO)CCc1ccccn1 2230a_100000210973_100015183660 [0,2,0,0,0,0|2,0,0]=4 39332 B14R1.979 CCN(CCO)CCc1ccccn1 2230a_100000227201_100000211926 [0,2,0,0,0,0|2,0,0]=4 39333 B14R1.979 CCN(CCO)CCc1ccccn1 269982a_100000210973_100015183660 [0,2,0,0,0,0|2,0,0]=4 39334 B14R1.979 CCN(CCO)CCc1ccccn1 269982a_100000227201_100000211926 [0,2,0,0,0,0|2,0,0]=4 39335 B14R1.979 CCN(CCO)CCc1cccnc1 2230a_100000210973_200011713674 [0,2,0,0,0,0|2,0,0]=4 39336 B14R1.979 CCN(CCO)CCc1cccnc1 269982a_100000210973_200011713674 [0,2,0,0,0,0|2,0,0]=4 39337 B14R1.979 CCN(CCO)CCc1ccncc1 2230a_100000210973_100000723409 [0,2,0,0,0,0|2,0,0]=4 39338 B14R1.979 CCN(CCO)CCc1ccncc1 269982a_100000210973_100000723409 [0,2,0,0,0,0|2,0,0]=4 39339 B14R1.979 CCN(CCO)CSc1ccccc1 2230a_100000210973_100011218342 [0,2,0,0,0,0|2,0,0]=4 39340 B14R1.979 CCN(CCO)CSc1ccccc1 269982a_100000210973_100011218342 [0,2,0,0,0,0|2,0,0]=4 39341 B14R1.979 CCNC(CC)CCc1ccccc1 270004a_100015525214_100011279265 [0,2,0,0,0,0|2,0,0]=4 39342 B14R1.6829 CC(C)(CCBr)OCc1ccccc1 7a_100000702414_100000211182 [0,2,0,0,0,0|2,0,0]=4 39343 B14R1.6829 CC(C)(CCO)NCc1ccccc1 207a_100000763138_100015611070 [0,2,0,0,0,0|1,0,0]=3 39344 B14R1.6829 CC(C)(CCO)NCc1ccccc1 270004a_100000763138_100015611070 [0,2,0,0,0,0|1,0,0]=3 39345 B14R1.6829 CC(C)(CCO)NCc1ccccn1 207a_100000763138_100000209966 [0,2,0,0,0,0|2,0,0]=4 39346 B14R1.6829 CC(C)(CCO)NCc1ccccn1 270004a_100000763138_100000209966 [0,2,0,0,0,0|2,0,0]=4 39347 B14R1.6829 CC(C)(CCO)NCc1cccnc1 207a_100000763138_100000209961 [0,2,0,0,0,0|2,0,0]=4 39348 B14R1.6829 CC(C)(CCO)NCc1cccnc1 270004a_100000763138_100000209961 [0,2,0,0,0,0|2,0,0]=4 39349 B14R1.6829 CC(C)(CCO)NCc1ccncc1 207a_100000763138_100000186114 [0,2,0,0,0,0|2,0,0]=4 39350 B14R1.6829 CC(C)(CCc1ccccc1)OCF 7a_100000750528_100015361967 [0,2,0,0,0,0|2,0,0]=4 39351 B14R1.6829 CCCC(C)(C)OCc1ccccc1 7a_100000748436_100000211182 [0,2,0,0,0,0|2,0,0]=4 39352 B14R1.6829 CCOC(C)(C)CCc1ccccc1 7a_100000750528_100000210202 [0,2,0,0,0,0|2,0,0]=4 39353 B14R1.6829 C[N+](C)(CCO)COc1ccccc1 7a_100000210340_200010270792 [0,2,0,0,0,0|2,0,0]=4 39354 B14R1.6829 C[N+](C)(CCO)CSc1ccccc1 62a_100000719477_200010270792 [0,2,0,0,0,0|2,0,0]=4 39355 B14R1.6829 C[N+](C)(CCO)CSc1ccccc1 62a_200010270792_100000041952 [0,2,0,0,0,0|2,0,0]=4 39356 B14R1.423 CC(Br)COC(C)Cc1ccccc1 34a_100012180447_200011218536 [0,2,0,0,0,0|2,0,0]=4 39357 B14R1.423 CC(C)CCC(=O)Cc1ccccc1 1458a_100000181311_100015291786 [0,2,0,0,0,0|1,0,1]=4 39358 B14R1.423 CC(C)CCC(C)Nc1ccccc1 34a_100000106764_100011261404 [0,2,0,0,0,0|2,0,0]=4 39359 B14R1.423 CC(C)CCC(C)Oc1ccccc1 34a_100000210340_100011261404 [0,2,0,0,0,0|2,0,0]=4 39360 B14R1.423 CC(C)CCC(C)Sc1ccccc1 62a_100000719477_100011261404 [0,2,0,0,0,0|2,0,0]=4 39361 B14R1.423 CC(C)CCC(C)Sc1ccccc1 62a_100011261404_100000041952 [0,2,0,0,0,0|2,0,0]=4 39362 B14R1.423 CC(C)CCN(C)Cc1ccccc1 2230a_100000186898_100000210312 [0,2,0,0,0,0|2,0,0]=4 39363 B14R1.423 CC(C)CCN(C)Cc1ccccc1 2230a_100000742789_100015291786 [0,2,0,0,0,0|2,0,0]=4 39364 B14R1.423 CC(C)CCN(C)Cc1ccccc1 269982a_100000186898_100000210312 [0,2,0,0,0,0|2,0,0]=4 39365 B14R1.423 CC(C)CCN(C)Cc1ccccc1 269982a_100000742789_100000211182 [0,2,0,0,0,0|2,0,0]=4 39366 B14R1.423 CC(C)CCN(C)Cc1ccccc1 270004a_100000742789_100015611070 [0,2,0,0,0,0|2,0,0]=4 39367 B14R1.423 CC(C)CNC(C)Cc1ccccc1 34a_100000210953_200011218536 [0,2,0,0,0,0|2,0,0]=4 39368 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000210257_200011218536 [0,2,0,0,0,0|2,0,0]=4 39369 B14R1.423 CC(C)COC(C)Cc1ccccc1 34a_100000748627_100000210624 [0,2,0,0,0,0|2,0,0]=4 39370 B14R1.423 CC(C)COC(C)Cc1ccccc1 7a_100000748627_100000210760 [0,2,0,0,0,0|2,0,0]=4 39371 B14R1.423 CC(C)CSC(C)Cc1ccccc1 62a_100000210624_200011218536 [0,2,0,0,0,0|2,0,0]=4 39372 B14R1.423 CC(C)CSC(C)Cc1ccccc1 62a_200011218536_100000210760 [0,2,0,0,0,0|2,0,0]=4 39373 B14R1.423 CC(C)NCC(O)Cc1ccccc1 2230a_100000752270_100000210206 [0,2,0,0,0,0|2,0,0]=4 39374 B14R1.423 CC(C)NC[C@@H](O)Cc1ccccc1 2230a_100138425928_100000729385 [0,2,0,0,0,0|2,0,0]=4 39375 B14R1.423 CC(C)NC[C@@H](O)Cc1ccccc1 34a_100138425928_100000729385 [0,2,0,0,0,0|2,0,0]=4 39376 B14R1.423 CC(C)OCC(N)Cc1ccccc1 34a_100000739027_100000210206 [0,2,0,0,0,0|2,0,0]=4 39377 B14R1.423 CC(C)OC[C@@H](O)Cc1ccccc1 34a_100000212225_100000729385 [0,2,0,0,0,0|2,0,0]=4 39378 B14R1.423 CC(C)SC[C@@H](O)Cc1ccccc1 62a_100000210206_100000729385 [0,2,0,0,0,0|2,0,0]=4 39379 B14R1.423 CC(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210206 [0,2,0,0,0,0|2,0,0]=4 39380 B14R1.423 CC(COC(C)C)Cc1ccccc1 34a_100012125295_100000210206 [0,2,0,0,0,0|2,0,0]=4 39381 B14R1.423 CC(COC(C)C)Cc1ccccc1 7a_100012125295_100000210206 [0,2,0,0,0,0|2,0,0]=4 39382 B14R1.423 CC(Cc1ccccc1)NCC(=O)O 269956a_100016091260_200011218536 [0,2,0,0,0,0|1,0,1]=4 39383 B14R1.423 CC(Cc1ccccc1)NCC(F)F 34a_100000765723_200011218536 [0,2,0,0,0,0|2,0,0]=4 39384 B14R1.423 CC(Cc1ccccc1)OCC(F)F 34a_100000743014_200011218536 [0,2,0,0,0,0|2,0,0]=4 39385 B14R1.423 CC(Cc1ccccc1)OCC(F)F 34a_100000748627_100011934356 [0,2,0,0,0,0|2,0,0]=4 39386 B14R1.423 CC(Cc1ccccc1)OCC(F)F 7a_100000748627_100011934356 [0,2,0,0,0,0|2,0,0]=4 39387 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)Cl 34a_100016084084_200011218536 [0,2,0,0,0,0|2,0,0]=4 39388 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)N 34a_100000737577_200011218536 [0,2,0,0,0,0|2,0,0]=4 39389 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 34a_100000748627_100009817552 [0,2,0,0,0,0|1,0,0]=3 39390 B14R1.423 CC(Cc1ccccc1)OC[C@@H](C)O 7a_100000748627_100009817552 [0,2,0,0,0,0|1,0,0]=3 39391 B14R1.423 CC(Cc1ccccc1)SCC(F)F 62a_100011934356_200011218536 [0,2,0,0,0,0|2,0,0]=4 39392 B14R1.423 CC(Cc1ccccc1)SCC(F)F 62a_200011218536_100011934356 [0,2,0,0,0,0|2,0,0]=4 39393 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_100009817552_200011218536 [0,2,0,0,0,0|1,0,0]=3 39394 B14R1.423 CC(Cc1ccccc1)SC[C@@H](C)O 62a_200011218536_100009817552 [0,2,0,0,0,0|1,0,0]=3 39395 B14R1.423 CC(Cc1ccccn1)NC[C@@H](C)O 2230a_100000238496_100009817552 [0,2,0,0,0,0|2,0,0]=4 39396 B14R1.423 CC(Cc1cccnc1)NC[C@@H](C)O 2230a_100011207255_100009817552 [0,2,0,0,0,0|2,0,0]=4 39397 B14R1.423 CC(F)COC(C)Cc1ccccc1 34a_100015925927_200011218536 [0,2,0,0,0,0|2,0,0]=4 39398 B14R1.423 CC(O)CCC(=O)C[n+]1ccccc1 1458a_200000086051_100012276601 [0,2,0,0,0,0|1,0,1]=4 39399 B14R1.423 CC(O)CCC(=O)Cc1ccccn1 1458a_100000233486_100012276601 [0,2,0,0,0,0|1,0,1]=4 39400 B14R1.423 CC(O)CCC(=O)Cc1cccnc1 1458a_100000737805_100012276601 [0,2,0,0,0,0|1,0,1]=4 39401 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [0,2,0,0,0,0|1,0,1]=4 39402 B14R1.423 CC(O)CCN(C)Cc1ccccc1 2230a_100000186898_100012276601 [0,2,0,0,0,0|1,0,0]=3 39403 B14R1.423 CC(O)CCN(C)Cc1ccccc1 269982a_100000186898_100012276601 [0,2,0,0,0,0|1,0,0]=3 39404 B14R1.423 CC(O)CCN(C)Cc1ccccn1 2230a_100000207498_100012276601 [0,2,0,0,0,0|2,0,0]=4 39405 B14R1.423 CC(O)CCN(C)Cc1ccccn1 269982a_100000207498_100012276601 [0,2,0,0,0,0|2,0,0]=4 39406 B14R1.423 CC(O)CCN(C)Cc1cccnc1 2230a_100000184577_100012276601 [0,2,0,0,0,0|2,0,0]=4 39407 B14R1.423 CC(O)CCN(C)Cc1cccnc1 269982a_100000184577_100012276601 [0,2,0,0,0,0|2,0,0]=4 39408 B14R1.423 CC(O)CCN(C)Cc1ccncc1 2230a_100000187231_100012276601 [0,2,0,0,0,0|2,0,0]=4 39409 B14R1.423 CC(O)CCN(C)Cc1ccncc1 269982a_100000187231_100012276601 [0,2,0,0,0,0|2,0,0]=4 39410 B14R1.423 CC(O)CNC(C)C[n+]1ccccc1 270004a_100000210904_100000034229 [0,2,0,0,0,0|2,0,0]=4 39411 B14R1.423 CC(O)CNC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,2,0,0,0,0|1,0,0]=3 39412 B14R1.423 CC(O)CNC(C)Cc1ccccn1 2230a_100000238496_100011218427 [0,2,0,0,0,0|2,0,0]=4 39413 B14R1.423 CC(O)CNC(C)Cc1cccnc1 2230a_100011207255_100011218427 [0,2,0,0,0,0|2,0,0]=4 39414 B14R1.423 CC(O)CNC(C)Cc1cccnc1 270004a_100000210904_100015187140 [0,2,0,0,0,0|2,0,0]=4 39415 B14R1.423 CC(O)CNC(C)Cc1ccncc1 270004a_100000210904_100000238508 [0,2,0,0,0,0|2,0,0]=4 39416 B14R1.423 CC(O)COC(C)Cc1ccccc1 34a_100000748627_100011218427 [0,2,0,0,0,0|1,0,0]=3 39417 B14R1.423 CC(O)COC(C)Cc1ccccc1 7a_100000748627_100011218427 [0,2,0,0,0,0|1,0,0]=3 39418 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_100011218427_200011218536 [0,2,0,0,0,0|1,0,0]=3 39419 B14R1.423 CC(O)CSC(C)Cc1ccccc1 62a_200011218536_100011218427 [0,2,0,0,0,0|1,0,0]=3 39420 B14R1.467 C#CC(Cc1ccccc1)OCCC 34a_100000685211_100000210303 [0,2,0,0,0,0|2,0,0]=4 39421 B14R1.467 C#CC(Cc1ccccc1)OCCC 7a_100000685211_100000210303 [0,2,0,0,0,0|2,0,0]=4 39422 B14R1.467 C#CC(Cc1ccccc1)OCCF 34a_100000685211_100011217306 [0,2,0,0,0,0|2,0,0]=4 39423 B14R1.467 C#CC(Cc1ccccc1)OCCF 7a_100000685211_100011217306 [0,2,0,0,0,0|2,0,0]=4 39424 B14R1.467 C#CC(Cc1ccccc1)OCCO 34a_100000685211_100000211926 [0,2,0,0,0,0|1,0,0]=3 39425 B14R1.467 C#CC(Cc1ccccc1)OCCO 7a_100000685211_100000211926 [0,2,0,0,0,0|1,0,0]=3 39426 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [0,2,0,0,0,0|1,0,0]=3 39427 B14R1.467 CCC(Cc1ccccc1)OCCF 7a_100000760156_100011217306 [0,2,0,0,0,0|2,0,0]=4 39428 B14R1.467 CCC(Cc1ccccc1)OCCO 7a_100000760156_100000211926 [0,2,0,0,0,0|1,0,0]=3 39429 B14R1.467 CCCCC(CC)Nc1ccccc1 34a_100000106764_200011216223 [0,2,0,0,0,0|2,0,0]=4 39430 B14R1.467 CCCCC(CC)Oc1ccccc1 34a_100000210340_200011216223 [0,2,0,0,0,0|2,0,0]=4 39431 B14R1.467 CCCCC(CC)Oc1ccccc1 7a_100000210340_200011216223 [0,2,0,0,0,0|2,0,0]=4 39432 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_100000719477_200011216223 [0,2,0,0,0,0|2,0,0]=4 39433 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_200011216223_100000041952 [0,2,0,0,0,0|2,0,0]=4 39434 B14R1.467 CCCCC(Cc1ccccc1)NC 270004a_106832991635_200011218368 [0,2,0,0,0,0|1,0,0]=3 39435 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210211 [0,2,0,0,0,0|2,0,0]=4 39436 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000207695_100015291786 [0,2,0,0,0,0|2,0,0]=4 39437 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_200000196024_100000210202 [0,2,0,0,0,0|2,0,0]=4 39438 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210211 [0,2,0,0,0,0|2,0,0]=4 39439 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000207695_100000211182 [0,2,0,0,0,0|2,0,0]=4 39440 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_200000196024_100000204670 [0,2,0,0,0,0|2,0,0]=4 39441 B14R1.467 CCCCN(CC)Cc1ccccc1 270004a_100000207695_100015611070 [0,2,0,0,0,0|2,0,0]=4 39442 B14R1.467 CCCCN(CF)Cc1ccccc1 269982a_200000196024_100015361967 [0,2,0,0,0,0|2,0,0]=4 39443 B14R1.467 CCCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210303 [0,2,0,0,0,0|2,0,0]=4 39444 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [0,2,0,0,0,0|2,0,0]=4 39445 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [0,2,0,0,0,0|2,0,0]=4 39446 B14R1.467 CCCOC(CC)Cc1ccccc1 7a_100000760156_100000210303 [0,2,0,0,0,0|2,0,0]=4 39447 B14R1.467 CCCOC(CN)Cc1ccccc1 34a_100000752270_100000210303 [0,2,0,0,0,0|2,0,0]=4 39448 B14R1.467 CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210303 [0,2,0,0,0,0|2,0,0]=4 39449 B14R1.467 CCCSC(C#N)Cc1ccccc1 62a_100000183401_100000210303 [0,2,0,0,0,0|2,0,0]=4 39450 B14R1.467 CCCSC(C#N)Cc1ccccc1 62a_100000210303_100000183401 [0,2,0,0,0,0|2,0,0]=4 39451 B14R1.467 CCN(CCCF)Cc1ccccc1 2230a_100000186914_100011934791 [0,2,0,0,0,0|2,0,0]=4 39452 B14R1.467 CCN(CCCF)Cc1ccccc1 269982a_100000186914_100011934791 [0,2,0,0,0,0|2,0,0]=4 39453 B14R1.467 CCN(CCCO)Cc1ccccc1 2230a_100000185501_100000210202 [0,2,0,0,0,0|1,0,0]=3 39454 B14R1.467 CCN(CCCO)Cc1ccccc1 2230a_100000186914_100000230001 [0,2,0,0,0,0|1,0,0]=3 39455 B14R1.467 CCN(CCCO)Cc1ccccc1 269982a_100000185501_100000204670 [0,2,0,0,0,0|1,0,0]=3 39456 B14R1.467 CCN(CCCO)Cc1ccccc1 269982a_100000186914_100011215043 [0,2,0,0,0,0|1,0,0]=3 39457 B14R1.467 CCN(CCCO)Cc1ccccn1 2230a_100000200612_100000210202 [0,2,0,0,0,0|2,0,0]=4 39458 B14R1.467 CCN(CCCO)Cc1ccccn1 2230a_100000201164_100000230001 [0,2,0,0,0,0|2,0,0]=4 39459 B14R1.467 CCN(CCCO)Cc1ccccn1 269982a_100000200612_100000204670 [0,2,0,0,0,0|2,0,0]=4 39460 B14R1.467 CCN(CCCO)Cc1ccccn1 269982a_100000201164_100011215043 [0,2,0,0,0,0|2,0,0]=4 39461 B14R1.467 CCN(CCCO)Cc1cccnc1 2230a_100000186920_100000230001 [0,2,0,0,0,0|2,0,0]=4 39462 B14R1.467 CCN(CCCO)Cc1cccnc1 2230a_114849113521_100000210202 [0,2,0,0,0,0|2,0,0]=4 39463 B14R1.467 CCN(CCCO)Cc1cccnc1 269982a_100000186920_100011215043 [0,2,0,0,0,0|2,0,0]=4 39464 B14R1.467 CCN(CCCO)Cc1cccnc1 269982a_114849113521_100000204670 [0,2,0,0,0,0|2,0,0]=4 39465 B14R1.467 CCN(CCCO)Cc1ccncc1 2230a_100000186919_100000230001 [0,2,0,0,0,0|2,0,0]=4 39466 B14R1.467 CCN(CCCO)Cc1ccncc1 2230a_106638131412_100000210202 [0,2,0,0,0,0|2,0,0]=4 39467 B14R1.467 CCN(CCCO)Cc1ccncc1 269982a_100000186919_100011215043 [0,2,0,0,0,0|2,0,0]=4 39468 B14R1.467 CCN(CCCO)Cc1ccncc1 269982a_106638131412_100000204670 [0,2,0,0,0,0|2,0,0]=4 39469 B14R1.467 CCNCC(CO)Cc1ccccc1 34a_100160572655_100000210202 [0,2,0,0,0,0|2,0,0]=4 39470 B14R1.467 CCOCC(C#N)Cc1ccccc1 34a_100000684917_100000210202 [0,2,0,0,0,0|2,0,0]=4 39471 B14R1.467 CCOCC(C#N)Cc1ccccc1 7a_100000684917_100000210202 [0,2,0,0,0,0|2,0,0]=4 39472 B14R1.467 CCOCC(CN)Cc1ccccc1 34a_100160572655_100000210202 [0,2,0,0,0,0|2,0,0]=4 39473 B14R1.467 CCOC[C@H](Cc1ccccc1)NC 34a_100016995599_100000210202 [0,2,0,0,0,0|2,0,0]=4 39474 B14R1.467 CN[C@H](COCF)Cc1ccccc1 34a_100016995599_100015361967 [0,2,0,0,0,0|2,0,0]=4 39475 B14R1.467 FCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100011217306 [0,2,0,0,0,0|2,0,0]=4 39476 B14R1.467 N#CC(COCF)Cc1ccccc1 34a_100000684917_100015361967 [0,2,0,0,0,0|2,0,0]=4 39477 B14R1.467 N#CC(COCF)Cc1ccccc1 7a_100000684917_100015361967 [0,2,0,0,0,0|2,0,0]=4 39478 B14R1.467 N#CC(Cc1ccccc1)NCCF 2230a_100000746547_100011217306 [0,2,0,0,0,0|2,0,0]=4 39479 B14R1.467 N#CC(Cc1ccccc1)NCCO 2230a_100000746547_100000211926 [0,2,0,0,0,0|1,0,0]=3 39480 B14R1.467 N#CC(Cc1ccccc1)SCCF 62a_100000183401_100011217306 [0,2,0,0,0,0|2,0,0]=4 39481 B14R1.467 N#CC(Cc1ccccc1)SCCF 62a_100011217306_100000183401 [0,2,0,0,0,0|2,0,0]=4 39482 B14R1.467 N#CC(Cc1ccccc1)SCCO 62a_100000183401_100000211926 [0,2,0,0,0,0|1,0,0]=3 39483 B14R1.467 N#CC(Cc1ccccc1)SCCO 62a_100000211926_100000183401 [0,2,0,0,0,0|1,0,0]=3 39484 B14R1.467 NCC(COCF)Cc1ccccc1 34a_100160572655_100015361967 [0,2,0,0,0,0|2,0,0]=4 39485 B14R1.467 NCC(Cc1ccccc1)OCCF 34a_100000752270_100011217306 [0,2,0,0,0,0|2,0,0]=4 39486 B14R1.467 NCC(Cc1ccccc1)OCCO 34a_100000752270_100000211926 [0,2,0,0,0,0|1,0,0]=3 39487 B14R1.467 OCC(CNCF)Cc1ccccc1 34a_100160572655_100015361967 [0,2,0,0,0,0|2,0,0]=4 39488 B14R1.467 OCC(Cc1ccccc1)NCCF 2230a_100000739027_100011217306 [0,2,0,0,0,0|2,0,0]=4 39489 B14R1.467 OCCCN(CF)Cc1ccccc1 269982a_100000185501_100015361967 [0,2,0,0,0,0|1,0,0]=3 39490 B14R1.467 OCCCN(CF)Cc1ccccn1 269982a_100000200612_100015361967 [0,2,0,0,0,0|2,0,0]=4 39491 B14R1.467 OCCCN(CF)Cc1cccnc1 269982a_114849113521_100015361967 [0,2,0,0,0,0|2,0,0]=4 39492 B14R1.467 OCCCN(CF)Cc1ccncc1 269982a_106638131412_100015361967 [0,2,0,0,0,0|2,0,0]=4 39493 B14R1.467 OCCNC(CO)Cc1ccccc1 2230a_100000739027_100000211926 [0,2,0,0,0,0|1,0,0]=3 39494 B14R1.467 OCCNC(CO)Cc1cccnc1 2230a_100000717814_100000211926 [0,2,0,0,0,0|2,0,0]=4 39495 B14R1.467 OCCNC(CO)Cc1ccncc1 2230a_100000717866_100000211926 [0,2,0,0,0,0|2,0,0]=4 39496 B14R1.467 OCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000211926 [0,2,0,0,0,0|1,0,0]=3 39497 B14R1.743 CC(CF)OC(C)Cc1ccccc1 34a_100016041109_200011218536 [0,2,0,0,0,0|2,0,0]=4 39498 B14R1.743 CC(CF)OC(C)Cc1ccccc1 7a_100016041109_200011218536 [0,2,0,0,0,0|2,0,0]=4 39499 B14R1.743 CC(CN)OC(C)Cc1ccccc1 34a_100000210904_200011218536 [0,2,0,0,0,0|2,0,0]=4 39500 B14R1.743 CC(CO)CN(C)Cc1ccccc1 2230a_100015184949_200000210301 [0,2,0,0,0,0|1,0,0]=3 39501 B14R1.743 CC(CO)CN(C)Cc1ccccc1 269982a_100015184949_200000210301 [0,2,0,0,0,0|1,0,0]=3 39502 B14R1.743 CC(CO)CN(C)Cc1ccccc1 34a_100015184949_200000210301 [0,2,0,0,0,0|1,0,0]=3 39503 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 2230a_100015184949_200025704644 [0,2,0,0,0,0|1,0,0]=3 39504 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 269982a_100015184949_200025704644 [0,2,0,0,0,0|1,0,0]=3 39505 B14R1.743 CC(CO)CN([13CH3])Cc1ccccc1 34a_100015184949_200025704644 [0,2,0,0,0,0|1,0,0]=3 39506 B14R1.743 CC(CO)NC(C)Cc1ccccn1 2230a_100000238496_100012180447 [0,2,0,0,0,0|2,0,0]=4 39507 B14R1.743 CC(CO)NC(C)Cc1cccnc1 2230a_100011207255_100012180447 [0,2,0,0,0,0|2,0,0]=4 39508 B14R1.743 CC(CO)OC(C)Cc1ccccc1 34a_100000748627_100012180447 [0,2,0,0,0,0|1,0,0]=3 39509 B14R1.743 CC(CO)OC(C)Cc1ccccc1 7a_100000748627_100012180447 [0,2,0,0,0,0|1,0,0]=3 39510 B14R1.743 CC(CO)SC(C)Cc1ccccc1 62a_100012180447_200011218536 [0,2,0,0,0,0|1,0,0]=3 39511 B14R1.743 CC(C[n+]1ccccc1)N[C@H](C)CO 270004a_100000737577_100000034229 [0,2,0,0,0,0|2,0,0]=4 39512 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_100016084084_200011218536 [0,2,0,0,0,0|1,0,0]=3 39513 B14R1.743 CC(Cc1ccccc1)S[C@H](C)CO 62a_200011218536_100016084084 [0,2,0,0,0,0|1,0,0]=3 39514 B14R1.743 CC(Cc1cccnc1)N[C@H](C)CO 270004a_100000737577_100015187140 [0,2,0,0,0,0|2,0,0]=4 39515 B14R1.743 CC(Cc1ccncc1)N[C@H](C)CO 270004a_100000737577_100000238508 [0,2,0,0,0,0|2,0,0]=4 39516 B14R1.743 CCC(C)CC(=O)Cc1ccccc1 1458a_100000708755_100015291786 [0,2,0,0,0,0|1,0,1]=4 39517 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748023 [0,2,0,0,0,0|2,0,0]=4 39518 B14R1.743 CCC(C)CN(C)Cc1ccccc1 2230a_100000753921_100015291786 [0,2,0,0,0,0|2,0,0]=4 39519 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748023 [0,2,0,0,0,0|2,0,0]=4 39520 B14R1.743 CCC(C)CN(C)Cc1ccccc1 269982a_100000753921_100000211182 [0,2,0,0,0,0|2,0,0]=4 39521 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243153 [0,2,0,0,0,0|2,0,0]=4 39522 B14R1.743 CCC(C)CN(C)Cc1ccccc1 270004a_100000753921_100015611070 [0,2,0,0,0,0|2,0,0]=4 39523 B14R1.743 CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011215416 [0,2,0,0,0,0|2,0,0]=4 39524 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000210228_200011218536 [0,2,0,0,0,0|2,0,0]=4 39525 B14R1.743 CCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000758301 [0,2,0,0,0,0|2,0,0]=4 39526 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_100000758301_200011218536 [0,2,0,0,0,0|2,0,0]=4 39527 B14R1.743 CCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000758301 [0,2,0,0,0,0|2,0,0]=4 39528 B14R1.743 CCC(O)CC(=O)Cc1ccccc1 1458a_100011667805_100015291786 [0,2,0,0,0,0|1,0,1]=4 39529 B14R1.743 CCC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218378 [0,2,0,0,0,0|2,0,0]=4 39530 B14R1.743 CCC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218378 [0,2,0,0,0,0|2,0,0]=4 39531 B14R1.743 CCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000225621_100000729385 [0,2,0,0,0,0|2,0,0]=4 39532 B14R1.743 CCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000225621_100000729385 [0,2,0,0,0,0|2,0,0]=4 39533 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 2230a_100000186898_100009816398 [0,2,0,0,0,0|2,0,0]=4 39534 B14R1.743 CC[C@H](C)CN(C)Cc1ccccc1 269982a_100000186898_100009816398 [0,2,0,0,0,0|2,0,0]=4 39535 B14R1.743 CN(Cc1ccccc1)CC(O)CO 2230a_100000186898_100011219619 [0,2,0,0,0,0|1,0,0]=3 39536 B14R1.743 CN(Cc1ccccc1)CC(O)CO 2230a_100011216503_100015291786 [0,2,0,0,0,0|1,0,0]=3 39537 B14R1.743 CN(Cc1ccccc1)CC(O)CO 269982a_100011216503_100000211182 [0,2,0,0,0,0|1,0,0]=3 39538 B14R1.743 CN(Cc1ccccc1)CC(O)CO 270004a_100011216503_100015611070 [0,2,0,0,0,0|1,0,0]=3 39539 B14R1.743 CN(Cc1ccccc1)C[C@@H](O)CF 2230a_100000186898_100015614560 [0,2,0,0,0,0|2,0,0]=4 39540 B14R1.743 CN(Cc1ccccc1)C[C@@H](O)CO 2230a_100000186898_100009815848 [0,2,0,0,0,0|1,0,0]=3 39541 B14R1.743 CN(Cc1ccccn1)CC(O)CO 2230a_100000207498_100011219619 [0,2,0,0,0,0|2,0,0]=4 39542 B14R1.743 CN(Cc1ccccn1)CC(O)CO 2230a_100011216503_100000721315 [0,2,0,0,0,0|2,0,0]=4 39543 B14R1.743 CN(Cc1ccccn1)CC(O)CO 269982a_100011216503_100000721315 [0,2,0,0,0,0|2,0,0]=4 39544 B14R1.743 CN(Cc1ccccn1)CC(O)CO 270004a_100011216503_100000209966 [0,2,0,0,0,0|2,0,0]=4 39545 B14R1.743 CN(Cc1ccccn1)C[C@@H](O)CO 2230a_100000207498_100009815848 [0,2,0,0,0,0|2,0,0]=4 39546 B14R1.743 CN(Cc1cccnc1)CC(O)CO 2230a_100000184577_100011219619 [0,2,0,0,0,0|2,0,0]=4 39547 B14R1.743 CN(Cc1cccnc1)CC(O)CO 2230a_100011216503_100000741622 [0,2,0,0,0,0|2,0,0]=4 39548 B14R1.743 CN(Cc1cccnc1)CC(O)CO 269982a_100011216503_100000733263 [0,2,0,0,0,0|2,0,0]=4 39549 B14R1.743 CN(Cc1cccnc1)CC(O)CO 270004a_100011216503_100000209961 [0,2,0,0,0,0|2,0,0]=4 39550 B14R1.743 CN(Cc1cccnc1)C[C@@H](O)CO 2230a_100000184577_100009815848 [0,2,0,0,0,0|2,0,0]=4 39551 B14R1.743 CN(Cc1ccncc1)CC(O)CO 2230a_100000187231_100011219619 [0,2,0,0,0,0|2,0,0]=4 39552 B14R1.743 CN(Cc1ccncc1)CC(O)CO 2230a_100011216503_100015193705 [0,2,0,0,0,0|2,0,0]=4 39553 B14R1.743 CN(Cc1ccncc1)CC(O)CO 269982a_100011216503_100015193705 [0,2,0,0,0,0|2,0,0]=4 39554 B14R1.743 CN(Cc1ccncc1)C[C@@H](O)CO 2230a_100000187231_100009815848 [0,2,0,0,0,0|2,0,0]=4 39555 B14R1.743 C[C@@H](CO)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000059175 [0,2,0,0,0,0|1,0,1]=4 39556 B14R1.743 C[C@@H](CO)CC(=O)Cc1ccccn1 1458a_100000233486_100000059175 [0,2,0,0,0,0|1,0,1]=4 39557 B14R1.743 C[C@@H](CO)CC(=O)Cc1cccnc1 1458a_100000737805_100000059175 [0,2,0,0,0,0|1,0,1]=4 39558 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccc1 2230a_100000186898_100000059175 [0,2,0,0,0,0|1,0,0]=3 39559 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccc1 269982a_100000186898_100000059175 [0,2,0,0,0,0|1,0,0]=3 39560 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccn1 2230a_100000207498_100000059175 [0,2,0,0,0,0|2,0,0]=4 39561 B14R1.743 C[C@@H](CO)CN(C)Cc1ccccn1 269982a_100000207498_100000059175 [0,2,0,0,0,0|2,0,0]=4 39562 B14R1.743 C[C@@H](CO)CN(C)Cc1cccnc1 2230a_100000184577_100000059175 [0,2,0,0,0,0|2,0,0]=4 39563 B14R1.743 C[C@@H](CO)CN(C)Cc1cccnc1 269982a_100000184577_100000059175 [0,2,0,0,0,0|2,0,0]=4 39564 B14R1.743 C[C@@H](CO)CN(C)Cc1ccncc1 2230a_100000187231_100000059175 [0,2,0,0,0,0|2,0,0]=4 39565 B14R1.743 C[C@@H](CO)CN(C)Cc1ccncc1 269982a_100000187231_100000059175 [0,2,0,0,0,0|2,0,0]=4 39566 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [0,2,0,0,0,0|0,0,2]=4 39567 B14R1.946 CC(Cc1ccccc1Br)NCCO 270004a_100000210304_100011350739 [0,2,0,0,0,0|1,0,0]=3 39568 B14R1.946 CC(Cc1ccccc1Cl)NCCO 270004a_100000210304_100000758791 [0,2,0,0,0,0|1,0,0]=3 39569 B14R1.946 CC(Cc1ccccc1F)NCCO 270004a_100000210304_100000709178 [0,2,0,0,0,0|1,0,0]=3 39570 B14R1.946 CCCCC(=O)Cc1ccccc1Br 1458a_100000210183_100000184730 [0,2,0,0,0,0|1,0,1]=4 39571 B14R1.946 CCCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210211 [0,2,0,0,0,0|1,0,1]=4 39572 B14R1.946 CCCCC(=O)Cc1ccccc1C 1458a_100000210183_100000211839 [0,2,0,0,0,0|1,0,1]=4 39573 B14R1.946 CCCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210211 [0,2,0,0,0,0|1,0,1]=4 39574 B14R1.946 CCCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210211 [0,2,0,0,0,0|1,0,1]=4 39575 B14R1.946 CCCCC(=O)Cc1ccccc1Cl 1458a_100000210183_100000187162 [0,2,0,0,0,0|1,0,1]=4 39576 B14R1.946 CCCCC(=O)Cc1ccccc1F 1458a_100000210183_100000187165 [0,2,0,0,0,0|1,0,1]=4 39577 B14R1.946 CCCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210211 [0,2,0,0,0,0|1,0,1]=4 39578 B14R1.946 CCCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210211 [0,2,0,0,0,0|1,0,1]=4 39579 B14R1.946 CCCCC(=O)Cc1ccccc1I 1458a_100000210183_100011216222 [0,2,0,0,0,0|1,0,1]=4 39580 B14R1.946 CCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210211 [0,2,0,0,0,0|1,0,1]=4 39581 B14R1.946 CCCCC(C)Nc1ccccc1Br 34a_100000210017_200011215066 [0,2,0,0,0,0|2,0,0]=4 39582 B14R1.946 CCCCC(C)Nc1ccccc1C 34a_100015192222_200011215066 [0,2,0,0,0,0|2,0,0]=4 39583 B14R1.946 CCCCC(C)Nc1ccccc1Cl 34a_100000185783_200011215066 [0,2,0,0,0,0|2,0,0]=4 39584 B14R1.946 CCCCC(C)Nc1ccccc1F 34a_100000210422_200011215066 [0,2,0,0,0,0|2,0,0]=4 39585 B14R1.946 CCCCC(C)Nc1ccccc1I 34a_100000210053_200011215066 [0,2,0,0,0,0|2,0,0]=4 39586 B14R1.946 CCCCC(C)Nc1ccccc1O 34a_100000185747_200011215066 [0,2,0,0,0,0|2,0,0]=4 39587 B14R1.946 CCCCC(C)Oc1ccccc1Br 34a_100000181306_200011215066 [0,2,0,0,0,0|2,0,0]=4 39588 B14R1.946 CCCCC(C)Oc1ccccc1Br 7a_100000181306_200011215066 [0,2,0,0,0,0|2,0,0]=4 39589 B14R1.946 CCCCC(C)Oc1ccccc1C 34a_100000210338_200011215066 [0,2,0,0,0,0|2,0,0]=4 39590 B14R1.946 CCCCC(C)Oc1ccccc1C 7a_100000210338_200011215066 [0,2,0,0,0,0|2,0,0]=4 39591 B14R1.946 CCCCC(C)Oc1ccccc1Cl 34a_100000210172_200011215066 [0,2,0,0,0,0|2,0,0]=4 39592 B14R1.946 CCCCC(C)Oc1ccccc1Cl 7a_100000210172_200011215066 [0,2,0,0,0,0|2,0,0]=4 39593 B14R1.946 CCCCC(C)Oc1ccccc1F 34a_100000210171_200011215066 [0,2,0,0,0,0|2,0,0]=4 39594 B14R1.946 CCCCC(C)Oc1ccccc1F 7a_100000210171_200011215066 [0,2,0,0,0,0|2,0,0]=4 39595 B14R1.946 CCCCC(C)Oc1ccccc1I 34a_100000739446_200011215066 [0,2,0,0,0,0|2,0,0]=4 39596 B14R1.946 CCCCC(C)Oc1ccccc1I 7a_100000739446_200011215066 [0,2,0,0,0,0|2,0,0]=4 39597 B14R1.946 CCCCC(C)Oc1ccccc1N 34a_100000185747_200011215066 [0,2,0,0,0,0|2,0,0]=4 39598 B14R1.946 CCCCC(C)Oc1ccccc1N 7a_100000185747_200011215066 [0,2,0,0,0,0|2,0,0]=4 39599 B14R1.946 CCCCC(C)Sc1ccccc1Br 62a_100000695589_200011215066 [0,2,0,0,0,0|2,0,0]=4 39600 B14R1.946 CCCCC(C)Sc1ccccc1Br 62a_200011215066_100000695589 [0,2,0,0,0,0|2,0,0]=4 39601 B14R1.946 CCCCC(C)Sc1ccccc1C 62a_100000210755_200011215066 [0,2,0,0,0,0|2,0,0]=4 39602 B14R1.946 CCCCC(C)Sc1ccccc1C 62a_200011215066_100000210755 [0,2,0,0,0,0|2,0,0]=4 39603 B14R1.946 CCCCC(C)Sc1ccccc1Cl 62a_100000764095_200011215066 [0,2,0,0,0,0|2,0,0]=4 39604 B14R1.946 CCCCC(C)Sc1ccccc1Cl 62a_200011215066_100000764095 [0,2,0,0,0,0|2,0,0]=4 39605 B14R1.946 CCCCC(C)Sc1ccccc1F 62a_100011215700_200011215066 [0,2,0,0,0,0|2,0,0]=4 39606 B14R1.946 CCCCC(C)Sc1ccccc1F 62a_200011215066_100011215700 [0,2,0,0,0,0|2,0,0]=4 39607 B14R1.946 CCCCC(C)Sc1ccccc1N 62a_100000210017_200011215066 [0,2,0,0,0,0|2,0,0]=4 39608 B14R1.946 CCCCC(C)Sc1ccccc1N 62a_200011215066_100000210017 [0,2,0,0,0,0|2,0,0]=4 39609 B14R1.946 CCCCC(C)Sc1ccccc1O 62a_100000739446_200011215066 [0,2,0,0,0,0|2,0,0]=4 39610 B14R1.946 CCCCC(C)Sc1ccccc1O 62a_200011215066_100000739446 [0,2,0,0,0,0|2,0,0]=4 39611 B14R1.946 CCCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210211 [0,2,0,0,0,0|2,0,0]=4 39612 B14R1.946 CCCCN(C)Cc1ccccc1Br 2230a_100000207549_100000184730 [0,2,0,0,0,0|2,0,0]=4 39613 B14R1.946 CCCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210211 [0,2,0,0,0,0|2,0,0]=4 39614 B14R1.946 CCCCN(C)Cc1ccccc1Br 269982a_100000207549_100000184730 [0,2,0,0,0,0|2,0,0]=4 39615 B14R1.946 CCCCN(C)Cc1ccccc1Br 26a_100000207549_100000181306 [0,2,0,0,0,0|2,0,0]=4 39616 B14R1.946 CCCCN(C)Cc1ccccc1Br 270004a_100000207549_100000211189 [0,2,0,0,0,0|2,0,0]=4 39617 B14R1.946 CCCCN(C)Cc1ccccc1C 2230a_100000184421_100000210211 [0,2,0,0,0,0|2,0,0]=4 39618 B14R1.946 CCCCN(C)Cc1ccccc1C 2230a_100000207549_100000211839 [0,2,0,0,0,0|2,0,0]=4 39619 B14R1.946 CCCCN(C)Cc1ccccc1C 2230a_100015184623_200000210301 [0,2,0,0,0,0|2,0,0]=4 39620 B14R1.946 CCCCN(C)Cc1ccccc1C 269982a_100000184421_100000210211 [0,2,0,0,0,0|2,0,0]=4 39621 B14R1.946 CCCCN(C)Cc1ccccc1C 269982a_100000207549_100000211839 [0,2,0,0,0,0|2,0,0]=4 39622 B14R1.946 CCCCN(C)Cc1ccccc1C 269982a_100015184623_200000210301 [0,2,0,0,0,0|2,0,0]=4 39623 B14R1.946 CCCCN(C)Cc1ccccc1C 270004a_100000207549_100000211143 [0,2,0,0,0,0|2,0,0]=4 39624 B14R1.946 CCCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210211 [0,2,0,0,0,0|2,0,0]=4 39625 B14R1.946 CCCCN(C)Cc1ccccc1Cl 2230a_100000196027_200000210301 [0,2,0,0,0,0|2,0,0]=4 39626 B14R1.946 CCCCN(C)Cc1ccccc1Cl 2230a_100000207549_100000187162 [0,2,0,0,0,0|2,0,0]=4 39627 B14R1.946 CCCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210211 [0,2,0,0,0,0|2,0,0]=4 39628 B14R1.946 CCCCN(C)Cc1ccccc1Cl 269982a_100000196027_200000210301 [0,2,0,0,0,0|2,0,0]=4 39629 B14R1.946 CCCCN(C)Cc1ccccc1Cl 269982a_100000207549_100000187162 [0,2,0,0,0,0|2,0,0]=4 39630 B14R1.946 CCCCN(C)Cc1ccccc1Cl 26a_100000207549_100000210172 [0,2,0,0,0,0|2,0,0]=4 39631 B14R1.946 CCCCN(C)Cc1ccccc1Cl 270004a_100000207549_100000210073 [0,2,0,0,0,0|2,0,0]=4 39632 B14R1.946 CCCCN(C)Cc1ccccc1F 2230a_100000207549_100000211605 [0,2,0,0,0,0|2,0,0]=4 39633 B14R1.946 CCCCN(C)Cc1ccccc1F 2230a_100000742528_100000210211 [0,2,0,0,0,0|2,0,0]=4 39634 B14R1.946 CCCCN(C)Cc1ccccc1F 2230a_100000750065_200000210301 [0,2,0,0,0,0|2,0,0]=4 39635 B14R1.946 CCCCN(C)Cc1ccccc1F 269982a_100000207549_100000211605 [0,2,0,0,0,0|2,0,0]=4 39636 B14R1.946 CCCCN(C)Cc1ccccc1F 269982a_100000742528_100000210211 [0,2,0,0,0,0|2,0,0]=4 39637 B14R1.946 CCCCN(C)Cc1ccccc1F 269982a_100000750065_200000210301 [0,2,0,0,0,0|2,0,0]=4 39638 B14R1.946 CCCCN(C)Cc1ccccc1F 270004a_100000207549_100000210811 [0,2,0,0,0,0|2,0,0]=4 39639 B14R1.946 CCCCN(C)Cc1ccccc1F 34a_100000742528_100000210210 [0,2,0,0,0,0|2,0,0]=4 39640 B14R1.946 CCCCN(C)Cc1ccccc1F 34a_100000750065_200000210301 [0,2,0,0,0,0|2,0,0]=4 39641 B14R1.946 CCCCN(C)Cc1ccccc1I 2230a_100000207549_100011215278 [0,2,0,0,0,0|2,0,0]=4 39642 B14R1.946 CCCCN(C)Cc1ccccc1I 269982a_100000207549_100011215278 [0,2,0,0,0,0|2,0,0]=4 39643 B14R1.946 CCCCN(C)Cc1ccccc1I 270004a_100000207549_100000010305 [0,2,0,0,0,0|2,0,0]=4 39644 B14R1.946 CCCCN(C)Cc1ccccc1O 2230a_100015189988_100000210211 [0,2,0,0,0,0|2,0,0]=4 39645 B14R1.946 CCCCN(C)Cc1ccccc1O 269982a_100015189988_100000210211 [0,2,0,0,0,0|2,0,0]=4 39646 B14R1.946 CCCCN([13CH3])Cc1ccccc1C 2230a_100015184623_200025704644 [0,2,0,0,0,0|2,0,0]=4 39647 B14R1.946 CCCCN([13CH3])Cc1ccccc1C 269982a_100015184623_200025704644 [0,2,0,0,0,0|2,0,0]=4 39648 B14R1.946 CCCCN([13CH3])Cc1ccccc1Cl 2230a_100000196027_200025704644 [0,2,0,0,0,0|2,0,0]=4 39649 B14R1.946 CCCCN([13CH3])Cc1ccccc1Cl 269982a_100000196027_200025704644 [0,2,0,0,0,0|2,0,0]=4 39650 B14R1.946 CCCCN([13CH3])Cc1ccccc1F 2230a_100000750065_200025704644 [0,2,0,0,0,0|2,0,0]=4 39651 B14R1.946 CCCCN([13CH3])Cc1ccccc1F 269982a_100000750065_200025704644 [0,2,0,0,0,0|2,0,0]=4 39652 B14R1.946 CCCCN([13CH3])Cc1ccccc1F 34a_100000750065_200025704644 [0,2,0,0,0,0|2,0,0]=4 39653 B14R1.946 CCCNC(C)Cc1ccccc1Br 270004a_100020643023_100011350739 [0,2,0,0,0,0|2,0,0]=4 39654 B14R1.946 CCCNC(C)Cc1ccccc1C 270004a_100020643023_200000764500 [0,2,0,0,0,0|2,0,0]=4 39655 B14R1.946 CCCNC(C)Cc1ccccc1Cl 270004a_100020643023_100000758791 [0,2,0,0,0,0|2,0,0]=4 39656 B14R1.946 CCCNC(C)Cc1ccccc1F 270004a_100020643023_100000709178 [0,2,0,0,0,0|2,0,0]=4 39657 B14R1.946 CCOCC(N)Cc1ccccc1Cl 34a_100012001541_100000210202 [0,2,0,0,0,0|2,0,0]=4 39658 B14R1.946 CN(CCCF)Cc1ccccc1Br 2230a_100000184654_100011934791 [0,2,0,0,0,0|2,0,0]=4 39659 B14R1.946 CN(CCCF)Cc1ccccc1Br 269982a_100000184654_100011934791 [0,2,0,0,0,0|2,0,0]=4 39660 B14R1.946 CN(CCCF)Cc1ccccc1Cl 2230a_100000184507_100011934791 [0,2,0,0,0,0|2,0,0]=4 39661 B14R1.946 CN(CCCF)Cc1ccccc1Cl 269982a_100000184507_100011934791 [0,2,0,0,0,0|2,0,0]=4 39662 B14R1.946 CN(CCCF)Cc1ccccc1F 2230a_100000742528_100011934791 [0,2,0,0,0,0|2,0,0]=4 39663 B14R1.946 CN(CCCF)Cc1ccccc1F 269982a_100000742528_100011934791 [0,2,0,0,0,0|2,0,0]=4 39664 B14R1.946 CN(CCCF)Cc1ccccc1F 34a_100000742528_100011934791 [0,2,0,0,0,0|2,0,0]=4 39665 B14R1.946 CN(CCCF)Cc1ccccc1O 2230a_100015189988_100011934791 [0,2,0,0,0,0|2,0,0]=4 39666 B14R1.946 CN(CCCF)Cc1ccccc1O 269982a_100015189988_100011934791 [0,2,0,0,0,0|2,0,0]=4 39667 B14R1.946 CN(CCCO)Cc1ccccc1Br 2230a_100000184654_100000230001 [0,2,0,0,0,0|1,0,0]=3 39668 B14R1.946 CN(CCCO)Cc1ccccc1Br 2230a_100000213112_100000184730 [0,2,0,0,0,0|1,0,0]=3 39669 B14R1.946 CN(CCCO)Cc1ccccc1Br 269982a_100000184654_100011215043 [0,2,0,0,0,0|1,0,0]=3 39670 B14R1.946 CN(CCCO)Cc1ccccc1Br 269982a_100000213112_100000184730 [0,2,0,0,0,0|1,0,0]=3 39671 B14R1.946 CN(CCCO)Cc1ccccc1Br 26a_100000213112_100000181306 [0,2,0,0,0,0|1,0,0]=3 39672 B14R1.946 CN(CCCO)Cc1ccccc1Br 270004a_100000213112_100000211189 [0,2,0,0,0,0|1,0,0]=3 39673 B14R1.946 CN(CCCO)Cc1ccccc1Cl 2230a_100000184507_100000230001 [0,2,0,0,0,0|1,0,0]=3 39674 B14R1.946 CN(CCCO)Cc1ccccc1Cl 2230a_100000213112_100000187162 [0,2,0,0,0,0|1,0,0]=3 39675 B14R1.946 CN(CCCO)Cc1ccccc1Cl 269982a_100000184507_100011215043 [0,2,0,0,0,0|1,0,0]=3 39676 B14R1.946 CN(CCCO)Cc1ccccc1Cl 269982a_100000213112_100000187162 [0,2,0,0,0,0|1,0,0]=3 39677 B14R1.946 CN(CCCO)Cc1ccccc1Cl 26a_100000213112_100000210172 [0,2,0,0,0,0|1,0,0]=3 39678 B14R1.946 CN(CCCO)Cc1ccccc1Cl 270004a_100000213112_100000210073 [0,2,0,0,0,0|1,0,0]=3 39679 B14R1.946 CN(CCCO)Cc1ccccc1F 2230a_100000213112_100000211605 [0,2,0,0,0,0|1,0,0]=3 39680 B14R1.946 CN(CCCO)Cc1ccccc1F 2230a_100000742528_100000230001 [0,2,0,0,0,0|1,0,0]=3 39681 B14R1.946 CN(CCCO)Cc1ccccc1F 269982a_100000213112_100000211605 [0,2,0,0,0,0|1,0,0]=3 39682 B14R1.946 CN(CCCO)Cc1ccccc1F 269982a_100000742528_100011215043 [0,2,0,0,0,0|1,0,0]=3 39683 B14R1.946 CN(CCCO)Cc1ccccc1F 270004a_100000213112_100000210811 [0,2,0,0,0,0|1,0,0]=3 39684 B14R1.946 CN(CCCO)Cc1ccccc1F 34a_100000742528_100000230001 [0,2,0,0,0,0|1,0,0]=3 39685 B14R1.946 CN(CCCO)Cc1ccccc1I 2230a_100000213112_100011215278 [0,2,0,0,0,0|1,0,0]=3 39686 B14R1.946 CN(CCCO)Cc1ccccc1I 269982a_100000213112_100011215278 [0,2,0,0,0,0|1,0,0]=3 39687 B14R1.946 CN(CCCO)Cc1ccccc1I 270004a_100000213112_100000010305 [0,2,0,0,0,0|1,0,0]=3 39688 B14R1.946 CN(CCCO)Cc1ccccc1O 2230a_100015189988_100000230001 [0,2,0,0,0,0|1,0,0]=3 39689 B14R1.946 CN(CCCO)Cc1ccccc1O 269982a_100015189988_100011215043 [0,2,0,0,0,0|1,0,0]=3 39690 B14R1.946 CN(CCCO)Cc1cccnc1Br 2230a_100000213112_100010140945 [0,2,0,0,0,0|2,0,0]=4 39691 B14R1.946 CN(CCCO)Cc1cccnc1Br 269982a_100000213112_100010140945 [0,2,0,0,0,0|2,0,0]=4 39692 B14R1.946 CN(CCCO)Cc1cccnc1Cl 2230a_100000213112_100000045678 [0,2,0,0,0,0|2,0,0]=4 39693 B14R1.946 CN(CCCO)Cc1cccnc1Cl 2230a_103496529121_100000230001 [0,2,0,0,0,0|2,0,0]=4 39694 B14R1.946 CN(CCCO)Cc1cccnc1Cl 269982a_100000213112_100000045678 [0,2,0,0,0,0|2,0,0]=4 39695 B14R1.946 CN(CCCO)Cc1cccnc1Cl 269982a_103496529121_100011215043 [0,2,0,0,0,0|2,0,0]=4 39696 B14R1.946 CN(CCCO)Cc1cccnc1F 2230a_100000213112_100000099810 [0,2,0,0,0,0|2,0,0]=4 39697 B14R1.946 CN(CCCO)Cc1cccnc1F 269982a_100000213112_100000099810 [0,2,0,0,0,0|2,0,0]=4 39698 B14R1.946 CN(CCCO)Cc1cccnc1O 270004a_100000213112_100011998315 [0,2,0,0,0,0|2,0,0]=4 39699 B14R1.946 CN(CCCO)Cc1ccncc1Br 270004a_100000213112_100000755692 [0,2,0,0,0,0|2,0,0]=4 39700 B14R1.946 CN(CCCO)Cc1ccncc1Cl 2230a_100000213112_100000763264 [0,2,0,0,0,0|2,0,0]=4 39701 B14R1.946 CN(CCCO)Cc1ccncc1Cl 269982a_100000213112_100000763264 [0,2,0,0,0,0|2,0,0]=4 39702 B14R1.946 CN(CCCO)Cc1ccncc1Cl 270004a_100000213112_100011934409 [0,2,0,0,0,0|2,0,0]=4 39703 B14R1.946 CN(CCCO)Cc1cnccc1Br 270004a_100000213112_100009816821 [0,2,0,0,0,0|2,0,0]=4 39704 B14R1.946 CN(CCCO)Cc1cnccc1Cl 270004a_100000213112_100000050567 [0,2,0,0,0,0|2,0,0]=4 39705 B14R1.946 CN(CCCO)Cc1ncccc1Br 2230a_100000213112_100025702911 [0,2,0,0,0,0|2,0,0]=4 39706 B14R1.946 CN(CCCO)Cc1ncccc1Br 270004a_100000213112_100011934733 [0,2,0,0,0,0|2,0,0]=4 39707 B14R1.946 CN(CCCO)Cc1ncccc1Cl 2230a_100000213112_100000099807 [0,2,0,0,0,0|2,0,0]=4 39708 B14R1.946 CN(CCCO)Cc1ncccc1Cl 269982a_100000213112_100000099807 [0,2,0,0,0,0|2,0,0]=4 39709 B14R1.946 CN(CCCO)Cc1ncccc1Cl 270004a_100000213112_100012001307 [0,2,0,0,0,0|2,0,0]=4 39710 B14R1.946 CN(CCCO)Cc1ncccc1F 2230a_100000213112_100000104219 [0,2,0,0,0,0|2,0,0]=4 39711 B14R1.946 CN(CCCO)Cc1ncccc1F 269982a_100000213112_100000104219 [0,2,0,0,0,0|2,0,0]=4 39712 B14R1.946 CN(CCCO)Cc1ncccc1F 270004a_100000213112_100011934734 [0,2,0,0,0,0|2,0,0]=4 39713 B14R1.946 Cc1ccccc1CC(=O)CCCF 1458a_100000212180_100011934791 [0,2,0,0,0,0|1,0,1]=4 39714 B14R1.946 Cc1ccccc1CC(=O)CCCO 1458a_100000212180_100011215043 [0,2,0,0,0,0|0,0,1]=3 39715 B14R1.946 Cc1ccccc1CC(=O)NCCO 240690a_100000210304_100000212180 [0,2,0,0,0,0|1,0,1]=4 39716 B14R1.946 Cc1ccccc1CC(=O)NCCO 527a_100000210304_100000212180 [0,2,0,0,0,0|1,0,1]=4 39717 B14R1.946 Cc1ccccc1CC(C)NCCO 270004a_100000210304_200000764500 [0,2,0,0,0,0|1,0,0]=3 39718 B14R1.946 Cc1ccccc1CN(C)CCCF 2230a_100000184421_100011934791 [0,2,0,0,0,0|2,0,0]=4 39719 B14R1.946 Cc1ccccc1CN(C)CCCF 269982a_100000184421_100011934791 [0,2,0,0,0,0|2,0,0]=4 39720 B14R1.946 Cc1ccccc1CN(C)CCCO 2230a_100000184421_100000230001 [0,2,0,0,0,0|1,0,0]=3 39721 B14R1.946 Cc1ccccc1CN(C)CCCO 2230a_100000213112_100000211839 [0,2,0,0,0,0|1,0,0]=3 39722 B14R1.946 Cc1ccccc1CN(C)CCCO 269982a_100000184421_100011215043 [0,2,0,0,0,0|1,0,0]=3 39723 B14R1.946 Cc1ccccc1CN(C)CCCO 269982a_100000213112_100000211839 [0,2,0,0,0,0|1,0,0]=3 39724 B14R1.946 Cc1ccccc1CN(C)CCCO 270004a_100000213112_100000211143 [0,2,0,0,0,0|1,0,0]=3 39725 B14R1.946 Cc1cccnc1CC(=O)CCCO 1458a_200000722269_100011215043 [0,2,0,0,0,0|1,0,1]=4 39726 B14R1.946 Cc1cccnc1CC(C)NCCO 270004a_100000210304_100011823981 [0,2,0,0,0,0|2,0,0]=4 39727 B14R1.946 Cc1cccnc1CN(C)CCCO 2230a_100000213112_100000696600 [0,2,0,0,0,0|2,0,0]=4 39728 B14R1.946 Cc1cccnc1CN(C)CCCO 269982a_100000213112_100000696600 [0,2,0,0,0,0|2,0,0]=4 39729 B14R1.946 Cc1cccnc1CN(C)CCCO 270004a_100000213112_100000698913 [0,2,0,0,0,0|2,0,0]=4 39730 B14R1.946 Cc1ccncc1CN(C)CCCO 2230a_100000213112_100000690890 [0,2,0,0,0,0|2,0,0]=4 39731 B14R1.946 Cc1ccncc1CN(C)CCCO 269982a_100000213112_100000690890 [0,2,0,0,0,0|2,0,0]=4 39732 B14R1.946 Cc1ccncc1CN(C)CCCO 270004a_100000213112_100000685662 [0,2,0,0,0,0|2,0,0]=4 39733 B14R1.946 Cc1cnccc1CN(C)CCCO 2230a_100000213112_100020672808 [0,2,0,0,0,0|2,0,0]=4 39734 B14R1.946 Cc1cnccc1CN(C)CCCO 2230a_100015187836_100000230001 [0,2,0,0,0,0|2,0,0]=4 39735 B14R1.946 Cc1cnccc1CN(C)CCCO 269982a_100000213112_100020672808 [0,2,0,0,0,0|2,0,0]=4 39736 B14R1.946 Cc1cnccc1CN(C)CCCO 269982a_100015187836_100011215043 [0,2,0,0,0,0|2,0,0]=4 39737 B14R1.946 Cc1ncccc1CN(C)CCCO 2230a_100000213112_100000732876 [0,2,0,0,0,0|2,0,0]=4 39738 B14R1.946 Cc1ncccc1CN(C)CCCO 2230a_200011875998_100000230001 [0,2,0,0,0,0|2,0,0]=4 39739 B14R1.946 Cc1ncccc1CN(C)CCCO 269982a_100000213112_100000732876 [0,2,0,0,0,0|2,0,0]=4 39740 B14R1.946 Cc1ncccc1CN(C)CCCO 269982a_200011875998_100011215043 [0,2,0,0,0,0|2,0,0]=4 39741 B14R1.946 Cc1ncccc1CN(C)CCCO 270004a_100000213112_100000751968 [0,2,0,0,0,0|2,0,0]=4 39742 B14R1.946 NC(COCF)Cc1ccccc1Cl 34a_100012001541_100015361967 [0,2,0,0,0,0|2,0,0]=4 39743 B14R1.946 O=C(CCCF)Cc1ccccc1Br 1458a_100000751119_100011934791 [0,2,0,0,0,0|1,0,1]=4 39744 B14R1.946 O=C(CCCF)Cc1ccccc1Cl 1458a_100000183793_100011934791 [0,2,0,0,0,0|1,0,1]=4 39745 B14R1.946 O=C(CCCF)Cc1ccccc1F 1458a_100000212012_100011934791 [0,2,0,0,0,0|1,0,1]=4 39746 B14R1.946 O=C(CCCF)Cc1ccccc1I 1458a_100000036491_100011934791 [0,2,0,0,0,0|1,0,1]=4 39747 B14R1.946 O=C(CCCF)Cc1ccccc1O 1458a_100000743006_100011934791 [0,2,0,0,0,0|1,0,1]=4 39748 B14R1.946 O=C(CCCO)Cc1ccccc1Br 1458a_100000751119_100011215043 [0,2,0,0,0,0|0,0,1]=3 39749 B14R1.946 O=C(CCCO)Cc1ccccc1Cl 1458a_100000183793_100011215043 [0,2,0,0,0,0|0,0,1]=3 39750 B14R1.946 O=C(CCCO)Cc1ccccc1F 1458a_100000212012_100011215043 [0,2,0,0,0,0|0,0,1]=3 39751 B14R1.946 O=C(CCCO)Cc1ccccc1I 1458a_100000036491_100011215043 [0,2,0,0,0,0|0,0,1]=3 39752 B14R1.946 O=C(CCCO)Cc1ccccc1O 1458a_100000743006_100011215043 [0,2,0,0,0,0|0,0,1]=3 39753 B14R1.946 O=C(CCCO)Cc1cccnc1Cl 1458a_100000093521_100011215043 [0,2,0,0,0,0|1,0,1]=4 39754 B14R1.946 O=C(CCCO)Cc1ncccc1Br 1458a_200012357574_100011215043 [0,2,0,0,0,0|1,0,1]=4 39755 B14R1.946 O=C(CCCO)Cc1ncccc1Cl 1458a_100011998755_100011215043 [0,2,0,0,0,0|1,0,1]=4 39756 B14R1.946 O=C(CCCO)Cn1ccccc1=O 1458a_100000189665_100011215043 [0,2,0,0,0,0|1,0,1]=4 39757 B14R1.946 O=C(Cc1ccccc1Br)NCCO 240690a_100000210304_100000751119 [0,2,0,0,0,0|1,0,1]=4 39758 B14R1.946 O=C(Cc1ccccc1Br)NCCO 527a_100000210304_100000751119 [0,2,0,0,0,0|1,0,1]=4 39759 B14R1.946 O=C(Cc1ccccc1Cl)NCCO 240690a_100000210304_100000183793 [0,2,0,0,0,0|1,0,1]=4 39760 B14R1.946 O=C(Cc1ccccc1Cl)NCCO 527a_100000210304_100000183793 [0,2,0,0,0,0|1,0,1]=4 39761 B14R1.946 O=C(Cc1ccccc1F)NCCO 240690a_100000210304_100000212012 [0,2,0,0,0,0|1,0,1]=4 39762 B14R1.946 O=C(Cc1ccccc1F)NCCO 527a_100000210304_100000212012 [0,2,0,0,0,0|1,0,1]=4 39763 B14R1.946 O=C(Cc1ccccc1I)NCCO 240690a_100000210304_100000036491 [0,2,0,0,0,0|1,0,1]=4 39764 B14R1.946 O=C(Cc1ccccc1I)NCCO 527a_100000210304_100000036491 [0,2,0,0,0,0|1,0,1]=4 39765 B14R1.946 O=C(Cc1ccccc1O)NCCO 240690a_100000210304_100000743006 [0,2,0,0,0,0|1,0,1]=4 39766 B14R1.946 O=C(Cc1ccccc1O)NCCO 527a_100000210304_100000743006 [0,2,0,0,0,0|1,0,1]=4 39767 B14R1.4528 CC(C)(Cc1ccccc1)OCCF 7a_100011215222_100011217306 [0,2,0,0,0,0|2,0,0]=4 39768 B14R1.4528 CC(C)(Cc1ccccc1)OCCO 7a_100011215222_100000211926 [0,2,0,0,0,0|1,0,0]=3 39769 B14R1.4528 CCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210303 [0,2,0,0,0,0|2,0,0]=4 39770 B14R1.4528 O=S(=O)(Cc1ccccc1)NCCO 270084a_100000210304_100000211737 [0,2,0,0,0,0|2,0,0]=4 39771 B14R1.4528 O=S(=O)(Cc1ccccc1)NCCO 274078a_100000210304_100000211737 [0,2,0,0,0,0|2,0,0]=4 39772 B14R1.4528 O=S(=O)(Cc1ccccc1)NCCO 40a_100000210304_100000235865 [0,2,0,0,0,0|2,0,0]=4 39773 B14R1.4528 OCCSC(F)(F)Oc1ccccc1 62a_100000211926_200000057402 [0,2,0,0,0,0|2,0,0]=4 39774 B14R1.4528 OCCSC(F)(F)Oc1ccccc1 62a_200000057402_100000211926 [0,2,0,0,0,0|2,0,0]=4 39775 B14R1.159 CC(Br)CCOCc1ccccc1Br 34a_100009893172_100000184730 [0,2,0,0,0,0|2,0,0]=4 39776 B14R1.159 CC(Br)CCOCc1ccccc1Cl 34a_100009893172_100000187162 [0,2,0,0,0,0|2,0,0]=4 39777 B14R1.159 CC(Br)CCOCc1ccccc1F 34a_100009893172_100000211605 [0,2,0,0,0,0|2,0,0]=4 39778 B14R1.159 CC(Br)CCOCc1ccccc1I 34a_100009893172_100011215278 [0,2,0,0,0,0|2,0,0]=4 39779 B14R1.159 CC(Br)COCCc1ccccc1Br 34a_100012180447_100012161201 [0,2,0,0,0,0|2,0,0]=4 39780 B14R1.159 CC(Br)COCCc1ccccc1Cl 34a_100012180447_100011713703 [0,2,0,0,0,0|2,0,0]=4 39781 B14R1.159 CC(Br)COCCc1ccccc1F 34a_100012180447_100000720011 [0,2,0,0,0,0|2,0,0]=4 39782 B14R1.159 CC(Br)COCCc1ccccc1O 34a_100012180447_100000722297 [0,2,0,0,0,0|2,0,0]=4 39783 B14R1.159 CC(C)CCCNc1ccccc1Br 34a_100000210017_100011214892 [0,2,0,0,0,0|2,0,0]=4 39784 B14R1.159 CC(C)CCCNc1ccccc1Cl 34a_100000185783_100011214892 [0,2,0,0,0,0|2,0,0]=4 39785 B14R1.159 CC(C)CCCNc1ccccc1F 34a_100000210422_100011214892 [0,2,0,0,0,0|2,0,0]=4 39786 B14R1.159 CC(C)CCCNc1ccccc1I 34a_100000210053_100011214892 [0,2,0,0,0,0|2,0,0]=4 39787 B14R1.159 CC(C)CCCNc1ccccc1O 34a_100000185747_100011214892 [0,2,0,0,0,0|2,0,0]=4 39788 B14R1.159 CC(C)CCCOc1ccccc1Br 34a_100000181306_100011214892 [0,2,0,0,0,0|2,0,0]=4 39789 B14R1.159 CC(C)CCCOc1ccccc1Br 7a_100000181306_100011214892 [0,2,0,0,0,0|2,0,0]=4 39790 B14R1.159 CC(C)CCCOc1ccccc1Cl 34a_100000210172_100011214892 [0,2,0,0,0,0|2,0,0]=4 39791 B14R1.159 CC(C)CCCOc1ccccc1Cl 7a_100000210172_100011214892 [0,2,0,0,0,0|2,0,0]=4 39792 B14R1.159 CC(C)CCCOc1ccccc1F 34a_100000210171_100011214892 [0,2,0,0,0,0|2,0,0]=4 39793 B14R1.159 CC(C)CCCOc1ccccc1F 7a_100000210171_100011214892 [0,2,0,0,0,0|2,0,0]=4 39794 B14R1.159 CC(C)CCCOc1ccccc1I 34a_100000739446_100011214892 [0,2,0,0,0,0|2,0,0]=4 39795 B14R1.159 CC(C)CCCOc1ccccc1I 7a_100000739446_100011214892 [0,2,0,0,0,0|2,0,0]=4 39796 B14R1.159 CC(C)CCCOc1ccccc1N 34a_100000185747_100011214892 [0,2,0,0,0,0|2,0,0]=4 39797 B14R1.159 CC(C)CCCOc1ccccc1N 7a_100000185747_100011214892 [0,2,0,0,0,0|2,0,0]=4 39798 B14R1.159 CC(C)CCCSc1ccccc1Br 62a_100000695589_100011214892 [0,2,0,0,0,0|2,0,0]=4 39799 B14R1.159 CC(C)CCCSc1ccccc1Br 62a_100011214892_100000695589 [0,2,0,0,0,0|2,0,0]=4 39800 B14R1.159 CC(C)CCCSc1ccccc1Cl 62a_100000764095_100011214892 [0,2,0,0,0,0|2,0,0]=4 39801 B14R1.159 CC(C)CCCSc1ccccc1Cl 62a_100011214892_100000764095 [0,2,0,0,0,0|2,0,0]=4 39802 B14R1.159 CC(C)CCCSc1ccccc1F 62a_100011214892_100011215700 [0,2,0,0,0,0|2,0,0]=4 39803 B14R1.159 CC(C)CCCSc1ccccc1F 62a_100011215700_100011214892 [0,2,0,0,0,0|2,0,0]=4 39804 B14R1.159 CC(C)CCCSc1ccccc1N 62a_100000210017_100011214892 [0,2,0,0,0,0|2,0,0]=4 39805 B14R1.159 CC(C)CCCSc1ccccc1N 62a_100011214892_100000210017 [0,2,0,0,0,0|2,0,0]=4 39806 B14R1.159 CC(C)CCCSc1ccccc1O 62a_100000739446_100011214892 [0,2,0,0,0,0|2,0,0]=4 39807 B14R1.159 CC(C)CCCSc1ccccc1O 62a_100011214892_100000739446 [0,2,0,0,0,0|2,0,0]=4 39808 B14R1.159 CC(C)CCNCc1ccccc1Br 207a_100000210545_100000211189 [0,2,0,0,0,0|2,0,0]=4 39809 B14R1.159 CC(C)CCNCc1ccccc1Br 2230a_100000689332_100000210312 [0,2,0,0,0,0|2,0,0]=4 39810 B14R1.159 CC(C)CCNCc1ccccc1Br 269862a_100000689332_100000185833 [0,2,0,0,0,0|2,0,0]=4 39811 B14R1.159 CC(C)CCNCc1ccccc1Br 26a_100000210545_100000181306 [0,2,0,0,0,0|2,0,0]=4 39812 B14R1.159 CC(C)CCNCc1ccccc1Br 270004a_100000210545_100000211189 [0,2,0,0,0,0|2,0,0]=4 39813 B14R1.159 CC(C)CCNCc1ccccc1Br 34a_100000689332_100000210312 [0,2,0,0,0,0|2,0,0]=4 39814 B14R1.159 CC(C)CCNCc1ccccc1Cl 207a_100000210545_100000210073 [0,2,0,0,0,0|2,0,0]=4 39815 B14R1.159 CC(C)CCNCc1ccccc1Cl 2230a_100000174879_100000210312 [0,2,0,0,0,0|2,0,0]=4 39816 B14R1.159 CC(C)CCNCc1ccccc1Cl 269862a_100000174879_100000185833 [0,2,0,0,0,0|2,0,0]=4 39817 B14R1.159 CC(C)CCNCc1ccccc1Cl 26a_100000210545_100000210172 [0,2,0,0,0,0|2,0,0]=4 39818 B14R1.159 CC(C)CCNCc1ccccc1Cl 270004a_100000210545_100000210073 [0,2,0,0,0,0|2,0,0]=4 39819 B14R1.159 CC(C)CCNCc1ccccc1Cl 34a_100000174879_100000210312 [0,2,0,0,0,0|2,0,0]=4 39820 B14R1.159 CC(C)CCNCc1ccccc1F 207a_100000210545_100000210811 [0,2,0,0,0,0|2,0,0]=4 39821 B14R1.159 CC(C)CCNCc1ccccc1F 269862a_100000174869_100000185833 [0,2,0,0,0,0|2,0,0]=4 39822 B14R1.159 CC(C)CCNCc1ccccc1F 270004a_100000210545_100000210811 [0,2,0,0,0,0|2,0,0]=4 39823 B14R1.159 CC(C)CCNCc1ccccc1F 34a_100000174869_100000210312 [0,2,0,0,0,0|2,0,0]=4 39824 B14R1.159 CC(C)CCNCc1ccccc1I 207a_100000210545_100000010305 [0,2,0,0,0,0|2,0,0]=4 39825 B14R1.159 CC(C)CCNCc1ccccc1I 269862a_100015347259_100000185833 [0,2,0,0,0,0|2,0,0]=4 39826 B14R1.159 CC(C)CCNCc1ccccc1I 270004a_100000210545_100000010305 [0,2,0,0,0,0|2,0,0]=4 39827 B14R1.159 CC(C)CCNCc1ccccc1O 269862a_100000185550_100000185833 [0,2,0,0,0,0|2,0,0]=4 39828 B14R1.159 CC(C)CCNCc1ccccc1O 34a_100000185550_100000210312 [0,2,0,0,0,0|2,0,0]=4 39829 B14R1.159 CC(C)CCOCc1ccccc1Br 34a_100000210254_100000184730 [0,2,0,0,0,0|2,0,0]=4 39830 B14R1.159 CC(C)CCOCc1ccccc1Br 34a_100000756307_100000210312 [0,2,0,0,0,0|2,0,0]=4 39831 B14R1.159 CC(C)CCOCc1ccccc1Br 7a_100000210254_100000184730 [0,2,0,0,0,0|2,0,0]=4 39832 B14R1.159 CC(C)CCOCc1ccccc1Br 7a_100000756307_100000210626 [0,2,0,0,0,0|2,0,0]=4 39833 B14R1.159 CC(C)CCOCc1ccccc1Cl 34a_100000210254_100000187162 [0,2,0,0,0,0|2,0,0]=4 39834 B14R1.159 CC(C)CCOCc1ccccc1Cl 34a_100000210847_100000210312 [0,2,0,0,0,0|2,0,0]=4 39835 B14R1.159 CC(C)CCOCc1ccccc1Cl 7a_100000210254_100000187162 [0,2,0,0,0,0|2,0,0]=4 39836 B14R1.159 CC(C)CCOCc1ccccc1Cl 7a_100000210847_100000210626 [0,2,0,0,0,0|2,0,0]=4 39837 B14R1.159 CC(C)CCOCc1ccccc1F 34a_100000210254_100000211605 [0,2,0,0,0,0|2,0,0]=4 39838 B14R1.159 CC(C)CCOCc1ccccc1F 34a_100000211962_100000210312 [0,2,0,0,0,0|2,0,0]=4 39839 B14R1.159 CC(C)CCOCc1ccccc1F 7a_100000210254_100000211605 [0,2,0,0,0,0|2,0,0]=4 39840 B14R1.159 CC(C)CCOCc1ccccc1F 7a_100000211962_100000210626 [0,2,0,0,0,0|2,0,0]=4 39841 B14R1.159 CC(C)CCOCc1ccccc1I 34a_100000187465_100000210312 [0,2,0,0,0,0|2,0,0]=4 39842 B14R1.159 CC(C)CCOCc1ccccc1I 34a_100000210254_100011215278 [0,2,0,0,0,0|2,0,0]=4 39843 B14R1.159 CC(C)CCOCc1ccccc1I 7a_100000187465_100000210626 [0,2,0,0,0,0|2,0,0]=4 39844 B14R1.159 CC(C)CCOCc1ccccc1I 7a_100000210254_100011215278 [0,2,0,0,0,0|2,0,0]=4 39845 B14R1.159 CC(C)CCOCc1ccccc1N 34a_100000212039_100000210312 [0,2,0,0,0,0|2,0,0]=4 39846 B14R1.159 CC(C)CCSCc1ccccc1Br 62a_100000184730_100000210312 [0,2,0,0,0,0|2,0,0]=4 39847 B14R1.159 CC(C)CCSCc1ccccc1Br 62a_100000210312_100000184730 [0,2,0,0,0,0|2,0,0]=4 39848 B14R1.159 CC(C)CCSCc1ccccc1Cl 62a_100000187162_100000210312 [0,2,0,0,0,0|2,0,0]=4 39849 B14R1.159 CC(C)CCSCc1ccccc1Cl 62a_100000210312_100000187162 [0,2,0,0,0,0|2,0,0]=4 39850 B14R1.159 CC(C)CCSCc1ccccc1F 62a_100000210312_100000211605 [0,2,0,0,0,0|2,0,0]=4 39851 B14R1.159 CC(C)CCSCc1ccccc1F 62a_100000211605_100000210312 [0,2,0,0,0,0|2,0,0]=4 39852 B14R1.159 CC(C)CCSCc1ccccc1I 62a_100000210312_100011216222 [0,2,0,0,0,0|2,0,0]=4 39853 B14R1.159 CC(C)CCSCc1ccccc1I 62a_100011216222_100000210312 [0,2,0,0,0,0|2,0,0]=4 39854 B14R1.159 CC(C)CNCCc1ccccc1Br 2230a_100000210953_100012161201 [0,2,0,0,0,0|2,0,0]=4 39855 B14R1.159 CC(C)CNCCc1ccccc1Br 2230a_100000747383_100000210760 [0,2,0,0,0,0|2,0,0]=4 39856 B14R1.159 CC(C)CNCCc1ccccc1Br 270004a_100000747383_100000210432 [0,2,0,0,0,0|2,0,0]=4 39857 B14R1.159 CC(C)CNCCc1ccccc1Br 34a_100000210953_100012161201 [0,2,0,0,0,0|2,0,0]=4 39858 B14R1.159 CC(C)CNCCc1ccccc1Br 34a_100000747383_100000210624 [0,2,0,0,0,0|2,0,0]=4 39859 B14R1.159 CC(C)CNCCc1ccccc1Cl 2230a_100000210953_100011713703 [0,2,0,0,0,0|2,0,0]=4 39860 B14R1.159 CC(C)CNCCc1ccccc1Cl 2230a_100011207228_100000210760 [0,2,0,0,0,0|2,0,0]=4 39861 B14R1.159 CC(C)CNCCc1ccccc1Cl 270004a_100000210953_200011713468 [0,2,0,0,0,0|2,0,0]=4 39862 B14R1.159 CC(C)CNCCc1ccccc1Cl 270004a_100011207228_100000210432 [0,2,0,0,0,0|2,0,0]=4 39863 B14R1.159 CC(C)CNCCc1ccccc1Cl 34a_100000210953_100011713703 [0,2,0,0,0,0|2,0,0]=4 39864 B14R1.159 CC(C)CNCCc1ccccc1Cl 34a_100011207228_100000210624 [0,2,0,0,0,0|2,0,0]=4 39865 B14R1.159 CC(C)CNCCc1ccccc1F 2230a_100000185272_100000210760 [0,2,0,0,0,0|2,0,0]=4 39866 B14R1.159 CC(C)CNCCc1ccccc1F 2230a_100000210953_100011713696 [0,2,0,0,0,0|2,0,0]=4 39867 B14R1.159 CC(C)CNCCc1ccccc1F 270004a_100000185272_100000210432 [0,2,0,0,0,0|2,0,0]=4 39868 B14R1.159 CC(C)CNCCc1ccccc1F 34a_100000185272_100000210624 [0,2,0,0,0,0|2,0,0]=4 39869 B14R1.159 CC(C)CNCCc1ccccc1F 34a_100000210953_100000720011 [0,2,0,0,0,0|2,0,0]=4 39870 B14R1.159 CC(C)CNCCc1ccccc1O 270004a_100011207237_100000210432 [0,2,0,0,0,0|2,0,0]=4 39871 B14R1.159 CC(C)CNCCc1ccccc1O 34a_100000210953_100000722297 [0,2,0,0,0,0|2,0,0]=4 39872 B14R1.159 CC(C)CNCCc1ccccc1O 34a_100011207237_100000210624 [0,2,0,0,0,0|2,0,0]=4 39873 B14R1.159 CC(C)COCCc1ccccc1Br 34a_100000210257_100012161201 [0,2,0,0,0,0|2,0,0]=4 39874 B14R1.159 CC(C)COCCc1ccccc1Br 34a_100000731337_100000210624 [0,2,0,0,0,0|2,0,0]=4 39875 B14R1.159 CC(C)COCCc1ccccc1Br 7a_100000731337_100000210760 [0,2,0,0,0,0|2,0,0]=4 39876 B14R1.159 CC(C)COCCc1ccccc1Cl 34a_100000210257_100011713703 [0,2,0,0,0,0|2,0,0]=4 39877 B14R1.159 CC(C)COCCc1ccccc1Cl 34a_100011215284_100000210624 [0,2,0,0,0,0|2,0,0]=4 39878 B14R1.159 CC(C)COCCc1ccccc1Cl 7a_100011215284_100000210760 [0,2,0,0,0,0|2,0,0]=4 39879 B14R1.159 CC(C)COCCc1ccccc1F 34a_100000210257_100000720011 [0,2,0,0,0,0|2,0,0]=4 39880 B14R1.159 CC(C)COCCc1ccccc1F 34a_100000753711_100000210624 [0,2,0,0,0,0|2,0,0]=4 39881 B14R1.159 CC(C)COCCc1ccccc1F 7a_100000753711_100000210760 [0,2,0,0,0,0|2,0,0]=4 39882 B14R1.159 CC(C)COCCc1ccccc1I 34a_100010255290_100000210624 [0,2,0,0,0,0|2,0,0]=4 39883 B14R1.159 CC(C)COCCc1ccccc1I 7a_100010255290_100000210760 [0,2,0,0,0,0|2,0,0]=4 39884 B14R1.159 CC(C)COCCc1ccccc1N 34a_100011215289_100000210624 [0,2,0,0,0,0|2,0,0]=4 39885 B14R1.159 CC(C)COCCc1ccccc1O 34a_100000210257_100000722297 [0,2,0,0,0,0|2,0,0]=4 39886 B14R1.159 CC(C)CSCCc1ccccc1Br 62a_100000210624_100012161201 [0,2,0,0,0,0|2,0,0]=4 39887 B14R1.159 CC(C)CSCCc1ccccc1Br 62a_100012161201_100000210760 [0,2,0,0,0,0|2,0,0]=4 39888 B14R1.159 CC(C)CSCCc1ccccc1Cl 62a_100000210624_100011713703 [0,2,0,0,0,0|2,0,0]=4 39889 B14R1.159 CC(C)CSCCc1ccccc1Cl 62a_100011713703_100000210760 [0,2,0,0,0,0|2,0,0]=4 39890 B14R1.159 CC(C)CSCCc1ccccc1F 62a_100000210624_100011713696 [0,2,0,0,0,0|2,0,0]=4 39891 B14R1.159 CC(C)CSCCc1ccccc1F 62a_100011713696_100000210760 [0,2,0,0,0,0|2,0,0]=4 39892 B14R1.159 CC(C)CSCCc1ccccc1O 62a_100000210624_100000722297 [0,2,0,0,0,0|2,0,0]=4 39893 B14R1.159 CC(C)CSCCc1ccccc1O 62a_100000722297_100000210760 [0,2,0,0,0,0|2,0,0]=4 39894 B14R1.159 CC(C)NCCCc1ccccc1Br 2230a_100138425928_200011713681 [0,2,0,0,0,0|2,0,0]=4 39895 B14R1.159 CC(C)NCCCc1ccccc1Br 34a_100138425928_200011713681 [0,2,0,0,0,0|2,0,0]=4 39896 B14R1.159 CC(C)NCCCc1ccccc1F 2230a_100000724733_100000210206 [0,2,0,0,0,0|2,0,0]=4 39897 B14R1.159 CC(C)NCCCc1ccccc1F 34a_100000724733_100000210206 [0,2,0,0,0,0|2,0,0]=4 39898 B14R1.159 CC(C)OCCCc1ccccc1Br 34a_100000212225_200011713681 [0,2,0,0,0,0|2,0,0]=4 39899 B14R1.159 CC(C)OCCCc1ccccc1Br 34a_100000699526_100000210206 [0,2,0,0,0,0|2,0,0]=4 39900 B14R1.159 CC(C)OCCCc1ccccc1Br 7a_100000699526_100000210206 [0,2,0,0,0,0|2,0,0]=4 39901 B14R1.159 CC(C)OCCCc1ccccc1Cl 34a_100011709251_100000210206 [0,2,0,0,0,0|2,0,0]=4 39902 B14R1.159 CC(C)OCCCc1ccccc1Cl 7a_100011709251_100000210206 [0,2,0,0,0,0|2,0,0]=4 39903 B14R1.159 CC(C)OCCCc1ccccc1F 34a_100011709249_100000210206 [0,2,0,0,0,0|2,0,0]=4 39904 B14R1.159 CC(C)OCCCc1ccccc1F 7a_100011709249_100000210206 [0,2,0,0,0,0|2,0,0]=4 39905 B14R1.159 CC(C)SCCCc1ccccc1Br 62a_100000210206_200011713681 [0,2,0,0,0,0|2,0,0]=4 39906 B14R1.159 CC(C)SCCCc1ccccc1Br 62a_200011713681_100000210206 [0,2,0,0,0,0|2,0,0]=4 39907 B14R1.159 CC(F)COCCc1ccccc1Br 34a_100015925927_100012161201 [0,2,0,0,0,0|2,0,0]=4 39908 B14R1.159 CC(F)COCCc1ccccc1Cl 34a_100015925927_100011713703 [0,2,0,0,0,0|2,0,0]=4 39909 B14R1.159 CC(F)COCCc1ccccc1F 34a_100015925927_100000720011 [0,2,0,0,0,0|2,0,0]=4 39910 B14R1.159 CC(F)COCCc1ccccc1O 34a_100015925927_100000722297 [0,2,0,0,0,0|2,0,0]=4 39911 B14R1.159 CC(O)CCCNc1ccccc1Br 34a_100000210017_200000718107 [0,2,0,0,0,0|1,0,0]=3 39912 B14R1.159 CC(O)CCCNc1ccccc1Cl 34a_100000185783_200000718107 [0,2,0,0,0,0|1,0,0]=3 39913 B14R1.159 CC(O)CCCNc1ccccc1F 34a_100000210422_200000718107 [0,2,0,0,0,0|1,0,0]=3 39914 B14R1.159 CC(O)CCCNc1ccccc1I 34a_100000210053_200000718107 [0,2,0,0,0,0|1,0,0]=3 39915 B14R1.159 CC(O)CCCNc1ccccc1O 34a_100000185747_200000718107 [0,2,0,0,0,0|1,0,0]=3 39916 B14R1.159 CC(O)CCCOc1cccc[n+]1[O-] 7a_100000211761_200000718107 [0,2,0,0,0,0|2,0,0]=4 39917 B14R1.159 CC(O)CCCOc1ccccc1Br 34a_100000181306_200000718107 [0,2,0,0,0,0|1,0,0]=3 39918 B14R1.159 CC(O)CCCOc1ccccc1Br 7a_100000181306_200000718107 [0,2,0,0,0,0|1,0,0]=3 39919 B14R1.159 CC(O)CCCOc1ccccc1Cl 34a_100000210172_200000718107 [0,2,0,0,0,0|1,0,0]=3 39920 B14R1.159 CC(O)CCCOc1ccccc1Cl 7a_100000210172_200000718107 [0,2,0,0,0,0|1,0,0]=3 39921 B14R1.159 CC(O)CCCOc1ccccc1F 34a_100000210171_200000718107 [0,2,0,0,0,0|1,0,0]=3 39922 B14R1.159 CC(O)CCCOc1ccccc1F 7a_100000210171_200000718107 [0,2,0,0,0,0|1,0,0]=3 39923 B14R1.159 CC(O)CCCOc1ccccc1I 34a_100000739446_200000718107 [0,2,0,0,0,0|1,0,0]=3 39924 B14R1.159 CC(O)CCCOc1ccccc1I 7a_100000739446_200000718107 [0,2,0,0,0,0|1,0,0]=3 39925 B14R1.159 CC(O)CCCOc1ccccc1N 34a_100000185747_200000718107 [0,2,0,0,0,0|1,0,0]=3 39926 B14R1.159 CC(O)CCCOc1ccccc1N 7a_100000185747_200000718107 [0,2,0,0,0,0|1,0,0]=3 39927 B14R1.159 CC(O)CCCOc1cccnc1Br 34a_100000744436_200000718107 [0,2,0,0,0,0|2,0,0]=4 39928 B14R1.159 CC(O)CCCOc1cccnc1Br 7a_100000744436_200000718107 [0,2,0,0,0,0|2,0,0]=4 39929 B14R1.159 CC(O)CCCOc1cccnc1Cl 34a_100000757616_200000718107 [0,2,0,0,0,0|2,0,0]=4 39930 B14R1.159 CC(O)CCCOc1cccnc1Cl 7a_100000757616_200000718107 [0,2,0,0,0,0|2,0,0]=4 39931 B14R1.159 CC(O)CCCOc1cccnc1F 34a_100000061740_200000718107 [0,2,0,0,0,0|2,0,0]=4 39932 B14R1.159 CC(O)CCCOc1cccnc1F 7a_100000061740_200000718107 [0,2,0,0,0,0|2,0,0]=4 39933 B14R1.159 CC(O)CCCOc1cccnc1I 34a_100000034122_200000718107 [0,2,0,0,0,0|2,0,0]=4 39934 B14R1.159 CC(O)CCCOc1cccnc1I 7a_100000034122_200000718107 [0,2,0,0,0,0|2,0,0]=4 39935 B14R1.159 CC(O)CCCOc1cccnc1N 34a_100000211975_200000718107 [0,2,0,0,0,0|2,0,0]=4 39936 B14R1.159 CC(O)CCCOc1cccnc1N 7a_100000211975_200000718107 [0,2,0,0,0,0|2,0,0]=4 39937 B14R1.159 CC(O)CCCOc1cccoc1=O 34a_100000077404_200000718107 [0,2,0,0,0,0|2,0,0]=4 39938 B14R1.159 CC(O)CCCOc1cccoc1=O 7a_100000077404_200000718107 [0,2,0,0,0,0|2,0,0]=4 39939 B14R1.159 CC(O)CCCOc1ccncc1Br 34a_100011996408_200000718107 [0,2,0,0,0,0|2,0,0]=4 39940 B14R1.159 CC(O)CCCOc1ccncc1Cl 34a_100011997054_200000718107 [0,2,0,0,0,0|2,0,0]=4 39941 B14R1.159 CC(O)CCCOc1ccncc1F 34a_200000081243_200000718107 [0,2,0,0,0,0|2,0,0]=4 39942 B14R1.159 CC(O)CCCOc1cnccc1Cl 34a_100011996695_200000718107 [0,2,0,0,0,0|2,0,0]=4 39943 B14R1.159 CC(O)CCCOc1cnccc1I 34a_100000050107_200000718107 [0,2,0,0,0,0|2,0,0]=4 39944 B14R1.159 CC(O)CCCOc1cnccc1N 34a_100000753702_200000718107 [0,2,0,0,0,0|2,0,0]=4 39945 B14R1.159 CC(O)CCCOc1coccc1=O 34a_100000060831_200000718107 [0,2,0,0,0,0|2,0,0]=4 39946 B14R1.159 CC(O)CCCOc1ncccc1Cl 34a_100011290957_200000718107 [0,2,0,0,0,0|2,0,0]=4 39947 B14R1.159 CC(O)CCCOc1ncccc1F 34a_100011219419_200000718107 [0,2,0,0,0,0|2,0,0]=4 39948 B14R1.159 CC(O)CCCOc1ncccc1N 34a_100000746358_200000718107 [0,2,0,0,0,0|2,0,0]=4 39949 B14R1.159 CC(O)CCCSc1c[nH]ccc1=O 62a_100009998708_200000718107 [0,2,0,0,0,0|2,0,0]=4 39950 B14R1.159 CC(O)CCCSc1c[nH]ccc1=O 62a_200000718107_100009998708 [0,2,0,0,0,0|2,0,0]=4 39951 B14R1.159 CC(O)CCCSc1c[nH]ccc1=S 62a_200000718107_200012280681 [0,2,0,0,0,0|2,0,0]=4 39952 B14R1.159 CC(O)CCCSc1c[nH]ccc1=S 62a_200012280681_200000718107 [0,2,0,0,0,0|2,0,0]=4 39953 B14R1.159 CC(O)CCCSc1cccc[n+]1C 62a_200000718107_100000212160 [0,2,0,0,0,0|2,0,0]=4 39954 B14R1.159 CC(O)CCCSc1cccc[n+]1[O-] 62a_200000718107_200000042595 [0,2,0,0,0,0|2,0,0]=4 39955 B14R1.159 CC(O)CCCSc1ccccc1Br 62a_100000695589_200000718107 [0,2,0,0,0,0|1,0,0]=3 39956 B14R1.159 CC(O)CCCSc1ccccc1Br 62a_200000718107_100000695589 [0,2,0,0,0,0|1,0,0]=3 39957 B14R1.159 CC(O)CCCSc1ccccc1Cl 62a_100000764095_200000718107 [0,2,0,0,0,0|1,0,0]=3 39958 B14R1.159 CC(O)CCCSc1ccccc1Cl 62a_200000718107_100000764095 [0,2,0,0,0,0|1,0,0]=3 39959 B14R1.159 CC(O)CCCSc1ccccc1F 62a_100011215700_200000718107 [0,2,0,0,0,0|1,0,0]=3 39960 B14R1.159 CC(O)CCCSc1ccccc1F 62a_200000718107_100011215700 [0,2,0,0,0,0|1,0,0]=3 39961 B14R1.159 CC(O)CCCSc1ccccc1N 62a_100000210017_200000718107 [0,2,0,0,0,0|1,0,0]=3 39962 B14R1.159 CC(O)CCCSc1ccccc1N 62a_200000718107_100000210017 [0,2,0,0,0,0|1,0,0]=3 39963 B14R1.159 CC(O)CCCSc1ccccc1O 62a_100000739446_200000718107 [0,2,0,0,0,0|1,0,0]=3 39964 B14R1.159 CC(O)CCCSc1ccccc1O 62a_200000718107_100000739446 [0,2,0,0,0,0|1,0,0]=3 39965 B14R1.159 CC(O)CCCSc1cccnc1Br 62a_100010202626_200000718107 [0,2,0,0,0,0|2,0,0]=4 39966 B14R1.159 CC(O)CCCSc1cccnc1Br 62a_200000718107_100010202626 [0,2,0,0,0,0|2,0,0]=4 39967 B14R1.159 CC(O)CCCSc1cccnc1Cl 62a_100000036424_200000718107 [0,2,0,0,0,0|2,0,0]=4 39968 B14R1.159 CC(O)CCCSc1cccnc1Cl 62a_200000718107_100000036424 [0,2,0,0,0,0|2,0,0]=4 39969 B14R1.159 CC(O)CCCSc1cccnc1F 62a_100009816115_200000718107 [0,2,0,0,0,0|2,0,0]=4 39970 B14R1.159 CC(O)CCCSc1cccnc1F 62a_200000718107_100009816115 [0,2,0,0,0,0|2,0,0]=4 39971 B14R1.159 CC(O)CCCSc1cccnc1N 62a_100000045569_200000718107 [0,2,0,0,0,0|2,0,0]=4 39972 B14R1.159 CC(O)CCCSc1cccnc1N 62a_200000718107_100000045569 [0,2,0,0,0,0|2,0,0]=4 39973 B14R1.159 CC(O)CCCSc1cccnc1O 62a_100000760158_200000718107 [0,2,0,0,0,0|2,0,0]=4 39974 B14R1.159 CC(O)CCCSc1cccnc1O 62a_200000718107_100000760158 [0,2,0,0,0,0|2,0,0]=4 39975 B14R1.159 CC(O)CCCSc1ccncc1Br 62a_100000726257_200000718107 [0,2,0,0,0,0|2,0,0]=4 39976 B14R1.159 CC(O)CCCSc1ccncc1Br 62a_200000718107_100000726257 [0,2,0,0,0,0|2,0,0]=4 39977 B14R1.159 CC(O)CCCSc1ccncc1Cl 62a_100000708259_200000718107 [0,2,0,0,0,0|2,0,0]=4 39978 B14R1.159 CC(O)CCCSc1ccncc1Cl 62a_200000718107_100000708259 [0,2,0,0,0,0|2,0,0]=4 39979 B14R1.159 CC(O)CCCSc1ccncc1F 62a_100000047030_200000718107 [0,2,0,0,0,0|2,0,0]=4 39980 B14R1.159 CC(O)CCCSc1ccncc1F 62a_200000718107_100000047030 [0,2,0,0,0,0|2,0,0]=4 39981 B14R1.159 CC(O)CCCSc1ccncc1N 62a_100000756074_200000718107 [0,2,0,0,0,0|2,0,0]=4 39982 B14R1.159 CC(O)CCCSc1ccncc1N 62a_200000718107_100000756074 [0,2,0,0,0,0|2,0,0]=4 39983 B14R1.159 CC(O)CCCSc1ccncc1O 62a_100009817591_200000718107 [0,2,0,0,0,0|2,0,0]=4 39984 B14R1.159 CC(O)CCCSc1ccncc1O 62a_200000718107_100009817591 [0,2,0,0,0,0|2,0,0]=4 39985 B14R1.159 CC(O)CCCSc1cnccc1Br 62a_100010138639_200000718107 [0,2,0,0,0,0|2,0,0]=4 39986 B14R1.159 CC(O)CCCSc1cnccc1Br 62a_200000718107_100010138639 [0,2,0,0,0,0|2,0,0]=4 39987 B14R1.159 CC(O)CCCSc1cnccc1Cl 62a_100009995489_200000718107 [0,2,0,0,0,0|2,0,0]=4 39988 B14R1.159 CC(O)CCCSc1cnccc1Cl 62a_200000718107_100009995489 [0,2,0,0,0,0|2,0,0]=4 39989 B14R1.159 CC(O)CCCSc1cnccc1F 62a_100009820683_200000718107 [0,2,0,0,0,0|2,0,0]=4 39990 B14R1.159 CC(O)CCCSc1cnccc1F 62a_200000718107_100009820683 [0,2,0,0,0,0|2,0,0]=4 39991 B14R1.159 CC(O)CCCSc1cnccc1N 62a_100000047001_200000718107 [0,2,0,0,0,0|2,0,0]=4 39992 B14R1.159 CC(O)CCCSc1cnccc1N 62a_200000718107_100000047001 [0,2,0,0,0,0|2,0,0]=4 39993 B14R1.159 CC(O)CCCSc1ncccc1Br 62a_100000696092_200000718107 [0,2,0,0,0,0|2,0,0]=4 39994 B14R1.159 CC(O)CCCSc1ncccc1Br 62a_200000718107_100000696092 [0,2,0,0,0,0|2,0,0]=4 39995 B14R1.159 CC(O)CCCSc1ncccc1Cl 62a_100011356963_200000718107 [0,2,0,0,0,0|2,0,0]=4 39996 B14R1.159 CC(O)CCCSc1ncccc1Cl 62a_200000718107_100011356963 [0,2,0,0,0,0|2,0,0]=4 39997 B14R1.159 CC(O)CCCSc1ncccc1F 62a_100000685392_200000718107 [0,2,0,0,0,0|2,0,0]=4 39998 B14R1.159 CC(O)CCCSc1ncccc1F 62a_200000718107_100000685392 [0,2,0,0,0,0|2,0,0]=4 39999 B14R1.159 CC(O)CCCSc1ncccc1N 62a_100000688686_200000718107 [0,2,0,0,0,0|2,0,0]=4 40000 B14R1.159 CC(O)CCCSc1ncccc1N 62a_200000718107_100000688686 [0,2,0,0,0,0|2,0,0]=4 40001 B14R1.159 CC(O)CCCSc1ncccc1O 62a_100000034122_200000718107 [0,2,0,0,0,0|2,0,0]=4 40002 B14R1.159 CC(O)CCCSc1ncccc1O 62a_200000718107_100000034122 [0,2,0,0,0,0|2,0,0]=4 40003 B14R1.159 CC(O)CCNCc1ccccc1Br 207a_200000755665_100000211189 [0,2,0,0,0,0|1,0,0]=3 40004 B14R1.159 CC(O)CCNCc1ccccc1Br 2230a_100000689332_100012276601 [0,2,0,0,0,0|1,0,0]=3 40005 B14R1.159 CC(O)CCNCc1ccccc1Br 2230a_200000755665_100000184730 [0,2,0,0,0,0|1,0,0]=3 40006 B14R1.159 CC(O)CCNCc1ccccc1Br 270004a_200000755665_100000211189 [0,2,0,0,0,0|1,0,0]=3 40007 B14R1.159 CC(O)CCNCc1ccccc1Br 34a_100000689332_100012276601 [0,2,0,0,0,0|1,0,0]=3 40008 B14R1.159 CC(O)CCNCc1ccccc1Cl 207a_200000755665_100000210073 [0,2,0,0,0,0|1,0,0]=3 40009 B14R1.159 CC(O)CCNCc1ccccc1Cl 2230a_100000174879_100012276601 [0,2,0,0,0,0|1,0,0]=3 40010 B14R1.159 CC(O)CCNCc1ccccc1Cl 2230a_200000755665_100000187162 [0,2,0,0,0,0|1,0,0]=3 40011 B14R1.159 CC(O)CCNCc1ccccc1Cl 270004a_200000755665_100000210073 [0,2,0,0,0,0|1,0,0]=3 40012 B14R1.159 CC(O)CCNCc1ccccc1Cl 34a_100000174879_100012276601 [0,2,0,0,0,0|1,0,0]=3 40013 B14R1.159 CC(O)CCNCc1ccccc1F 207a_200000755665_100000210811 [0,2,0,0,0,0|1,0,0]=3 40014 B14R1.159 CC(O)CCNCc1ccccc1F 2230a_200000755665_100000211605 [0,2,0,0,0,0|1,0,0]=3 40015 B14R1.159 CC(O)CCNCc1ccccc1F 270004a_200000755665_100000210811 [0,2,0,0,0,0|1,0,0]=3 40016 B14R1.159 CC(O)CCNCc1ccccc1F 34a_100000174869_100012276601 [0,2,0,0,0,0|1,0,0]=3 40017 B14R1.159 CC(O)CCNCc1ccccc1I 207a_200000755665_100000010305 [0,2,0,0,0,0|1,0,0]=3 40018 B14R1.159 CC(O)CCNCc1ccccc1I 2230a_200000755665_100011215278 [0,2,0,0,0,0|1,0,0]=3 40019 B14R1.159 CC(O)CCNCc1ccccc1I 270004a_200000755665_100000010305 [0,2,0,0,0,0|1,0,0]=3 40020 B14R1.159 CC(O)CCNCc1ccccc1O 34a_100000185550_100012276601 [0,2,0,0,0,0|1,0,0]=3 40021 B14R1.159 CC(O)CCNCc1cccnc1Br 2230a_100009818023_100012276601 [0,2,0,0,0,0|2,0,0]=4 40022 B14R1.159 CC(O)CCNCc1cccnc1Br 2230a_200000755665_100010140945 [0,2,0,0,0,0|2,0,0]=4 40023 B14R1.159 CC(O)CCNCc1cccnc1Br 34a_100009818023_100012276601 [0,2,0,0,0,0|2,0,0]=4 40024 B14R1.159 CC(O)CCNCc1cccnc1Cl 2230a_100015189234_100012276601 [0,2,0,0,0,0|2,0,0]=4 40025 B14R1.159 CC(O)CCNCc1cccnc1Cl 2230a_200000755665_100000045678 [0,2,0,0,0,0|2,0,0]=4 40026 B14R1.159 CC(O)CCNCc1cccnc1Cl 34a_100015189234_100012276601 [0,2,0,0,0,0|2,0,0]=4 40027 B14R1.159 CC(O)CCNCc1cccnc1F 2230a_200000755665_100000099810 [0,2,0,0,0,0|2,0,0]=4 40028 B14R1.159 CC(O)CCNCc1cccnc1F 34a_100000724633_100012276601 [0,2,0,0,0,0|2,0,0]=4 40029 B14R1.159 CC(O)CCNCc1cccnc1O 207a_200000755665_100011998315 [0,2,0,0,0,0|2,0,0]=4 40030 B14R1.159 CC(O)CCNCc1cccnc1O 270004a_200000755665_100011998315 [0,2,0,0,0,0|2,0,0]=4 40031 B14R1.159 CC(O)CCNCc1ccncc1Br 270004a_200000755665_100000755692 [0,2,0,0,0,0|2,0,0]=4 40032 B14R1.159 CC(O)CCNCc1ccncc1Cl 207a_200000755665_100011934409 [0,2,0,0,0,0|2,0,0]=4 40033 B14R1.159 CC(O)CCNCc1ccncc1Cl 2230a_200000755665_100000763264 [0,2,0,0,0,0|2,0,0]=4 40034 B14R1.159 CC(O)CCNCc1ccncc1Cl 270004a_200000755665_100011934409 [0,2,0,0,0,0|2,0,0]=4 40035 B14R1.159 CC(O)CCNCc1ccncc1F 34a_100011935246_100012276601 [0,2,0,0,0,0|2,0,0]=4 40036 B14R1.159 CC(O)CCNCc1cnccc1Br 270004a_200000755665_100009816821 [0,2,0,0,0,0|2,0,0]=4 40037 B14R1.159 CC(O)CCNCc1cnccc1Cl 270004a_200000755665_100000050567 [0,2,0,0,0,0|2,0,0]=4 40038 B14R1.159 CC(O)CCNCc1ncccc1Br 207a_200000755665_100011934733 [0,2,0,0,0,0|2,0,0]=4 40039 B14R1.159 CC(O)CCNCc1ncccc1Br 2230a_200000755665_100025702911 [0,2,0,0,0,0|2,0,0]=4 40040 B14R1.159 CC(O)CCNCc1ncccc1Br 270004a_200000755665_100011934733 [0,2,0,0,0,0|2,0,0]=4 40041 B14R1.159 CC(O)CCNCc1ncccc1Cl 207a_200000755665_100012001307 [0,2,0,0,0,0|2,0,0]=4 40042 B14R1.159 CC(O)CCNCc1ncccc1Cl 2230a_100015189233_100012276601 [0,2,0,0,0,0|2,0,0]=4 40043 B14R1.159 CC(O)CCNCc1ncccc1Cl 2230a_200000755665_100000099807 [0,2,0,0,0,0|2,0,0]=4 40044 B14R1.159 CC(O)CCNCc1ncccc1Cl 270004a_200000755665_100012001307 [0,2,0,0,0,0|2,0,0]=4 40045 B14R1.159 CC(O)CCNCc1ncccc1F 207a_200000755665_100011934734 [0,2,0,0,0,0|2,0,0]=4 40046 B14R1.159 CC(O)CCNCc1ncccc1F 2230a_200000755665_100000104219 [0,2,0,0,0,0|2,0,0]=4 40047 B14R1.159 CC(O)CCNCc1ncccc1F 270004a_200000755665_100011934734 [0,2,0,0,0,0|2,0,0]=4 40048 B14R1.159 CC(O)CCNCc1ncccc1F 34a_100000690088_100012276601 [0,2,0,0,0,0|2,0,0]=4 40049 B14R1.159 CC(O)CCOCc1ccccc1Br 34a_100000756307_100012276601 [0,2,0,0,0,0|1,0,0]=3 40050 B14R1.159 CC(O)CCOCc1ccccc1Br 7a_100000756307_100012276601 [0,2,0,0,0,0|1,0,0]=3 40051 B14R1.159 CC(O)CCOCc1ccccc1Cl 34a_100000210847_100012276601 [0,2,0,0,0,0|1,0,0]=3 40052 B14R1.159 CC(O)CCOCc1ccccc1Cl 7a_100000210847_100012276601 [0,2,0,0,0,0|1,0,0]=3 40053 B14R1.159 CC(O)CCOCc1ccccc1F 34a_100000211962_100012276601 [0,2,0,0,0,0|1,0,0]=3 40054 B14R1.159 CC(O)CCOCc1ccccc1F 7a_100000211962_100012276601 [0,2,0,0,0,0|1,0,0]=3 40055 B14R1.159 CC(O)CCOCc1ccccc1I 34a_100000187465_100012276601 [0,2,0,0,0,0|1,0,0]=3 40056 B14R1.159 CC(O)CCOCc1ccccc1I 7a_100000187465_100012276601 [0,2,0,0,0,0|1,0,0]=3 40057 B14R1.159 CC(O)CCOCc1ccccc1N 34a_100000212039_100012276601 [0,2,0,0,0,0|1,0,0]=3 40058 B14R1.159 CC(O)CCOCc1cccnc1Br 34a_100000719692_100012276601 [0,2,0,0,0,0|2,0,0]=4 40059 B14R1.159 CC(O)CCOCc1cccnc1Br 7a_100000719692_100012276601 [0,2,0,0,0,0|2,0,0]=4 40060 B14R1.159 CC(O)CCOCc1cccnc1Cl 34a_100000748726_100012276601 [0,2,0,0,0,0|2,0,0]=4 40061 B14R1.159 CC(O)CCOCc1cccnc1Cl 7a_100000748726_100012276601 [0,2,0,0,0,0|2,0,0]=4 40062 B14R1.159 CC(O)CCOCc1cccnc1F 34a_100000079888_100012276601 [0,2,0,0,0,0|2,0,0]=4 40063 B14R1.159 CC(O)CCOCc1cccnc1F 7a_100000079888_100012276601 [0,2,0,0,0,0|2,0,0]=4 40064 B14R1.159 CC(O)CCOCc1ccncc1F 34a_100012172863_100012276601 [0,2,0,0,0,0|2,0,0]=4 40065 B14R1.159 CC(O)CCOCc1cnccc1Cl 34a_100000117392_100012276601 [0,2,0,0,0,0|2,0,0]=4 40066 B14R1.159 CC(O)CCOCc1ncccc1Br 34a_100011996772_100012276601 [0,2,0,0,0,0|2,0,0]=4 40067 B14R1.159 CC(O)CCOCc1ncccc1Cl 34a_100012002383_100012276601 [0,2,0,0,0,0|2,0,0]=4 40068 B14R1.159 CC(O)CCOCc1ncccc1F 34a_100011934865_100012276601 [0,2,0,0,0,0|2,0,0]=4 40069 B14R1.159 CC(O)CCOCc1ncccc1N 34a_114873767017_100012276601 [0,2,0,0,0,0|2,0,0]=4 40070 B14R1.159 CC(O)CCSCc1ccccc1Br 62a_100000184730_100012276601 [0,2,0,0,0,0|1,0,0]=3 40071 B14R1.159 CC(O)CCSCc1ccccc1Br 62a_100012276601_100000184730 [0,2,0,0,0,0|1,0,0]=3 40072 B14R1.159 CC(O)CCSCc1ccccc1Cl 62a_100000187162_100012276601 [0,2,0,0,0,0|1,0,0]=3 40073 B14R1.159 CC(O)CCSCc1ccccc1Cl 62a_100012276601_100000187162 [0,2,0,0,0,0|1,0,0]=3 40074 B14R1.159 CC(O)CCSCc1ccccc1F 62a_100000211605_100012276601 [0,2,0,0,0,0|1,0,0]=3 40075 B14R1.159 CC(O)CCSCc1ccccc1F 62a_100012276601_100000211605 [0,2,0,0,0,0|1,0,0]=3 40076 B14R1.159 CC(O)CCSCc1ccccc1I 62a_100011216222_100012276601 [0,2,0,0,0,0|1,0,0]=3 40077 B14R1.159 CC(O)CCSCc1ccccc1I 62a_100012276601_100011216222 [0,2,0,0,0,0|1,0,0]=3 40078 B14R1.159 CC(O)CCSCc1cccnc1Br 62a_100010140945_100012276601 [0,2,0,0,0,0|2,0,0]=4 40079 B14R1.159 CC(O)CCSCc1cccnc1Br 62a_100012276601_100010140945 [0,2,0,0,0,0|2,0,0]=4 40080 B14R1.159 CC(O)CCSCc1cccnc1Cl 62a_100000045678_100012276601 [0,2,0,0,0,0|2,0,0]=4 40081 B14R1.159 CC(O)CCSCc1cccnc1Cl 62a_100012276601_100000045678 [0,2,0,0,0,0|2,0,0]=4 40082 B14R1.159 CC(O)CCSCc1cccnc1F 62a_100000099810_100012276601 [0,2,0,0,0,0|2,0,0]=4 40083 B14R1.159 CC(O)CCSCc1cccnc1F 62a_100012276601_100000099810 [0,2,0,0,0,0|2,0,0]=4 40084 B14R1.159 CC(O)CCSCc1ccncc1Cl 62a_100000763264_100012276601 [0,2,0,0,0,0|2,0,0]=4 40085 B14R1.159 CC(O)CCSCc1ccncc1Cl 62a_100012276601_100000763264 [0,2,0,0,0,0|2,0,0]=4 40086 B14R1.159 CC(O)CCSCc1ncccc1Br 62a_100012276601_100025702911 [0,2,0,0,0,0|2,0,0]=4 40087 B14R1.159 CC(O)CCSCc1ncccc1Br 62a_100025702911_100012276601 [0,2,0,0,0,0|2,0,0]=4 40088 B14R1.159 CC(O)CCSCc1ncccc1Cl 62a_100000099807_100012276601 [0,2,0,0,0,0|2,0,0]=4 40089 B14R1.159 CC(O)CCSCc1ncccc1Cl 62a_100012276601_100000099807 [0,2,0,0,0,0|2,0,0]=4 40090 B14R1.159 CC(O)CCSCc1ncccc1F 62a_100000104219_100012276601 [0,2,0,0,0,0|2,0,0]=4 40091 B14R1.159 CC(O)CCSCc1ncccc1F 62a_100012276601_100000104219 [0,2,0,0,0,0|2,0,0]=4 40092 B14R1.159 CC(O)CCSCc1ncccc1O 62a_100012276601_200020655725 [0,2,0,0,0,0|2,0,0]=4 40093 B14R1.159 CC(O)CCSCc1ncccc1O 62a_200020655725_100012276601 [0,2,0,0,0,0|2,0,0]=4 40094 B14R1.159 CC(O)CNCCc1ccccc1Br 2230a_100000210904_100012161201 [0,2,0,0,0,0|1,0,0]=3 40095 B14R1.159 CC(O)CNCCc1ccccc1Br 2230a_100000747383_100011218427 [0,2,0,0,0,0|1,0,0]=3 40096 B14R1.159 CC(O)CNCCc1ccccc1Br 34a_100000210904_100012161201 [0,2,0,0,0,0|1,0,0]=3 40097 B14R1.159 CC(O)CNCCc1ccccc1Br 34a_100000747383_100011218427 [0,2,0,0,0,0|1,0,0]=3 40098 B14R1.159 CC(O)CNCCc1ccccc1Cl 2230a_100000210904_100011713703 [0,2,0,0,0,0|1,0,0]=3 40099 B14R1.159 CC(O)CNCCc1ccccc1Cl 2230a_100011207228_100011218427 [0,2,0,0,0,0|1,0,0]=3 40100 B14R1.159 CC(O)CNCCc1ccccc1Cl 270004a_100000210904_200011713468 [0,2,0,0,0,0|1,0,0]=3 40101 B14R1.159 CC(O)CNCCc1ccccc1Cl 34a_100000210904_100011713703 [0,2,0,0,0,0|1,0,0]=3 40102 B14R1.159 CC(O)CNCCc1ccccc1Cl 34a_100011207228_100011218427 [0,2,0,0,0,0|1,0,0]=3 40103 B14R1.159 CC(O)CNCCc1ccccc1F 2230a_100000185272_100011218427 [0,2,0,0,0,0|1,0,0]=3 40104 B14R1.159 CC(O)CNCCc1ccccc1F 2230a_100000210904_100011713696 [0,2,0,0,0,0|1,0,0]=3 40105 B14R1.159 CC(O)CNCCc1ccccc1F 34a_100000185272_100011218427 [0,2,0,0,0,0|1,0,0]=3 40106 B14R1.159 CC(O)CNCCc1ccccc1F 34a_100000210904_100000720011 [0,2,0,0,0,0|1,0,0]=3 40107 B14R1.159 CC(O)CNCCc1ccccc1O 34a_100000210904_100000722297 [0,2,0,0,0,0|1,0,0]=3 40108 B14R1.159 CC(O)CNCCc1ccccc1O 34a_100011207237_100011218427 [0,2,0,0,0,0|1,0,0]=3 40109 B14R1.159 CC(O)CNCCn1ccccc1=O 2230a_100000687133_100011218427 [0,2,0,0,0,0|2,0,0]=4 40110 B14R1.159 CC(O)COCCc1ccccc1Br 34a_100000731337_100011218427 [0,2,0,0,0,0|1,0,0]=3 40111 B14R1.159 CC(O)COCCc1ccccc1Br 7a_100000731337_100011218427 [0,2,0,0,0,0|1,0,0]=3 40112 B14R1.159 CC(O)COCCc1ccccc1Cl 34a_100011215284_100011218427 [0,2,0,0,0,0|1,0,0]=3 40113 B14R1.159 CC(O)COCCc1ccccc1Cl 7a_100011215284_100011218427 [0,2,0,0,0,0|1,0,0]=3 40114 B14R1.159 CC(O)COCCc1ccccc1F 34a_100000753711_100011218427 [0,2,0,0,0,0|1,0,0]=3 40115 B14R1.159 CC(O)COCCc1ccccc1F 7a_100000753711_100011218427 [0,2,0,0,0,0|1,0,0]=3 40116 B14R1.159 CC(O)COCCc1ccccc1I 34a_100010255290_100011218427 [0,2,0,0,0,0|1,0,0]=3 40117 B14R1.159 CC(O)COCCc1ccccc1I 7a_100010255290_100011218427 [0,2,0,0,0,0|1,0,0]=3 40118 B14R1.159 CC(O)COCCc1ccccc1N 34a_100011215289_100011218427 [0,2,0,0,0,0|1,0,0]=3 40119 B14R1.159 CC(O)CSCCc1ccccc1Br 62a_100011218427_100012161201 [0,2,0,0,0,0|1,0,0]=3 40120 B14R1.159 CC(O)CSCCc1ccccc1Br 62a_100012161201_100011218427 [0,2,0,0,0,0|1,0,0]=3 40121 B14R1.159 CC(O)CSCCc1ccccc1Cl 62a_100011218427_100011713703 [0,2,0,0,0,0|1,0,0]=3 40122 B14R1.159 CC(O)CSCCc1ccccc1Cl 62a_100011713703_100011218427 [0,2,0,0,0,0|1,0,0]=3 40123 B14R1.159 CC(O)CSCCc1ccccc1F 62a_100011218427_100011713696 [0,2,0,0,0,0|1,0,0]=3 40124 B14R1.159 CC(O)CSCCc1ccccc1F 62a_100011713696_100011218427 [0,2,0,0,0,0|1,0,0]=3 40125 B14R1.159 CC(O)CSCCc1ccccc1O 62a_100000722297_100011218427 [0,2,0,0,0,0|1,0,0]=3 40126 B14R1.159 CC(O)CSCCc1ccccc1O 62a_100011218427_100000722297 [0,2,0,0,0,0|1,0,0]=3 40127 B14R1.159 C[C@@H](Cl)COCCc1ccccc1Br 34a_100016084084_100012161201 [0,2,0,0,0,0|2,0,0]=4 40128 B14R1.159 C[C@@H](Cl)COCCc1ccccc1Cl 34a_100016084084_100011713703 [0,2,0,0,0,0|2,0,0]=4 40129 B14R1.159 C[C@@H](Cl)COCCc1ccccc1F 34a_100016084084_100000720011 [0,2,0,0,0,0|2,0,0]=4 40130 B14R1.159 C[C@@H](Cl)COCCc1ccccc1O 34a_100016084084_100000722297 [0,2,0,0,0,0|2,0,0]=4 40131 B14R1.159 C[C@@H](N)CCOCc1ccccc1Br 34a_100000706166_100000184730 [0,2,0,0,0,0|2,0,0]=4 40132 B14R1.159 C[C@@H](N)CCOCc1ccccc1Cl 34a_100000706166_100000187162 [0,2,0,0,0,0|2,0,0]=4 40133 B14R1.159 C[C@@H](N)CCOCc1ccccc1F 34a_100000706166_100000211605 [0,2,0,0,0,0|2,0,0]=4 40134 B14R1.159 C[C@@H](N)CCOCc1ccccc1I 34a_100000706166_100011215278 [0,2,0,0,0,0|2,0,0]=4 40135 B14R1.159 C[C@@H](N)COCCc1ccccc1Br 34a_100000737577_100012161201 [0,2,0,0,0,0|2,0,0]=4 40136 B14R1.159 C[C@@H](N)COCCc1ccccc1Cl 34a_100000737577_100011713703 [0,2,0,0,0,0|2,0,0]=4 40137 B14R1.159 C[C@@H](N)COCCc1ccccc1F 34a_100000737577_100000720011 [0,2,0,0,0,0|2,0,0]=4 40138 B14R1.159 C[C@@H](N)COCCc1ccccc1O 34a_100000737577_100000722297 [0,2,0,0,0,0|2,0,0]=4 40139 B14R1.159 C[C@@H](O)CNCCc1ccccc1Br 2230a_100000747383_100009817552 [0,2,0,0,0,0|1,0,0]=3 40140 B14R1.159 C[C@@H](O)CNCCc1ccccc1Br 34a_100000747383_100009817552 [0,2,0,0,0,0|1,0,0]=3 40141 B14R1.159 C[C@@H](O)CNCCc1ccccc1Cl 2230a_100011207228_100009817552 [0,2,0,0,0,0|1,0,0]=3 40142 B14R1.159 C[C@@H](O)CNCCc1ccccc1Cl 34a_100011207228_100009817552 [0,2,0,0,0,0|1,0,0]=3 40143 B14R1.159 C[C@@H](O)CNCCc1ccccc1F 2230a_100000185272_100009817552 [0,2,0,0,0,0|1,0,0]=3 40144 B14R1.159 C[C@@H](O)CNCCc1ccccc1F 34a_100000185272_100009817552 [0,2,0,0,0,0|1,0,0]=3 40145 B14R1.159 C[C@@H](O)CNCCc1ccccc1O 34a_100011207237_100009817552 [0,2,0,0,0,0|1,0,0]=3 40146 B14R1.159 C[C@@H](O)CNCCn1ccccc1=O 2230a_100000687133_100009817552 [0,2,0,0,0,0|2,0,0]=4 40147 B14R1.159 C[C@@H](O)COCCc1ccccc1Br 34a_100000731337_100009817552 [0,2,0,0,0,0|1,0,0]=3 40148 B14R1.159 C[C@@H](O)COCCc1ccccc1Br 7a_100000731337_100009817552 [0,2,0,0,0,0|1,0,0]=3 40149 B14R1.159 C[C@@H](O)COCCc1ccccc1Cl 34a_100011215284_100009817552 [0,2,0,0,0,0|1,0,0]=3 40150 B14R1.159 C[C@@H](O)COCCc1ccccc1Cl 7a_100011215284_100009817552 [0,2,0,0,0,0|1,0,0]=3 40151 B14R1.159 C[C@@H](O)COCCc1ccccc1F 34a_100000753711_100009817552 [0,2,0,0,0,0|1,0,0]=3 40152 B14R1.159 C[C@@H](O)COCCc1ccccc1F 7a_100000753711_100009817552 [0,2,0,0,0,0|1,0,0]=3 40153 B14R1.159 C[C@@H](O)COCCc1ccccc1I 34a_100010255290_100009817552 [0,2,0,0,0,0|1,0,0]=3 40154 B14R1.159 C[C@@H](O)COCCc1ccccc1I 7a_100010255290_100009817552 [0,2,0,0,0,0|1,0,0]=3 40155 B14R1.159 C[C@@H](O)COCCc1ccccc1N 34a_100011215289_100009817552 [0,2,0,0,0,0|1,0,0]=3 40156 B14R1.159 C[C@@H](O)CSCCc1ccccc1Br 62a_100009817552_100012161201 [0,2,0,0,0,0|1,0,0]=3 40157 B14R1.159 C[C@@H](O)CSCCc1ccccc1Br 62a_100012161201_100009817552 [0,2,0,0,0,0|1,0,0]=3 40158 B14R1.159 C[C@@H](O)CSCCc1ccccc1Cl 62a_100009817552_100011713703 [0,2,0,0,0,0|1,0,0]=3 40159 B14R1.159 C[C@@H](O)CSCCc1ccccc1Cl 62a_100011713703_100009817552 [0,2,0,0,0,0|1,0,0]=3 40160 B14R1.159 C[C@@H](O)CSCCc1ccccc1F 62a_100009817552_100011713696 [0,2,0,0,0,0|1,0,0]=3 40161 B14R1.159 C[C@@H](O)CSCCc1ccccc1F 62a_100011713696_100009817552 [0,2,0,0,0,0|1,0,0]=3 40162 B14R1.159 C[C@@H](O)CSCCc1ccccc1O 62a_100000722297_100009817552 [0,2,0,0,0,0|1,0,0]=3 40163 B14R1.159 C[C@@H](O)CSCCc1ccccc1O 62a_100009817552_100000722297 [0,2,0,0,0,0|1,0,0]=3 40164 B14R1.159 Cc1ccccc1CCNCC(=O)O 269956a_100016091260_100011713688 [0,2,0,0,0,0|1,0,1]=4 40165 B14R1.159 Cc1ccccc1CCNCC(C)C 2230a_100000210953_100011713688 [0,2,0,0,0,0|2,0,0]=4 40166 B14R1.159 Cc1ccccc1CCNCC(C)C 2230a_100000685071_100000210760 [0,2,0,0,0,0|2,0,0]=4 40167 B14R1.159 Cc1ccccc1CCNCC(C)C 270004a_100000685071_100000210432 [0,2,0,0,0,0|2,0,0]=4 40168 B14R1.159 Cc1ccccc1CCNCC(C)C 34a_100000210953_100011713688 [0,2,0,0,0,0|2,0,0]=4 40169 B14R1.159 Cc1ccccc1CCNCC(C)C 34a_100000685071_100000210624 [0,2,0,0,0,0|2,0,0]=4 40170 B14R1.159 Cc1ccccc1CCNCC(C)O 2230a_100000210904_100011713688 [0,2,0,0,0,0|1,0,0]=3 40171 B14R1.159 Cc1ccccc1CCNCC(C)O 2230a_100000685071_100011218427 [0,2,0,0,0,0|1,0,0]=3 40172 B14R1.159 Cc1ccccc1CCNCC(C)O 34a_100000210904_100011713688 [0,2,0,0,0,0|1,0,0]=3 40173 B14R1.159 Cc1ccccc1CCNCC(C)O 34a_100000685071_100011218427 [0,2,0,0,0,0|1,0,0]=3 40174 B14R1.159 Cc1ccccc1CCNCC(F)F 2230a_100000685071_100011934356 [0,2,0,0,0,0|2,0,0]=4 40175 B14R1.159 Cc1ccccc1CCNCC(F)F 34a_100000685071_100011934356 [0,2,0,0,0,0|2,0,0]=4 40176 B14R1.159 Cc1ccccc1CCNCC(F)F 34a_100000765723_100011713688 [0,2,0,0,0,0|2,0,0]=4 40177 B14R1.159 Cc1ccccc1CCNC[C@@H](C)O 2230a_100000685071_100009817552 [0,2,0,0,0,0|1,0,0]=3 40178 B14R1.159 Cc1ccccc1CCNC[C@@H](C)O 34a_100000685071_100009817552 [0,2,0,0,0,0|1,0,0]=3 40179 B14R1.159 Cc1ccccc1CCOCC(C)Br 34a_100012180447_100011713688 [0,2,0,0,0,0|2,0,0]=4 40180 B14R1.159 Cc1ccccc1CCOCC(C)C 34a_100000210257_100011713688 [0,2,0,0,0,0|2,0,0]=4 40181 B14R1.159 Cc1ccccc1CCOCC(C)C 34a_100011220023_100000210624 [0,2,0,0,0,0|2,0,0]=4 40182 B14R1.159 Cc1ccccc1CCOCC(C)C 7a_100011220023_100000210760 [0,2,0,0,0,0|2,0,0]=4 40183 B14R1.159 Cc1ccccc1CCOCC(C)F 34a_100015925927_100011713688 [0,2,0,0,0,0|2,0,0]=4 40184 B14R1.159 Cc1ccccc1CCOCC(C)O 34a_100011220023_100011218427 [0,2,0,0,0,0|1,0,0]=3 40185 B14R1.159 Cc1ccccc1CCOCC(C)O 7a_100011220023_100011218427 [0,2,0,0,0,0|1,0,0]=3 40186 B14R1.159 Cc1ccccc1CCOCC(F)F 34a_100000743014_100011713688 [0,2,0,0,0,0|2,0,0]=4 40187 B14R1.159 Cc1ccccc1CCOCC(F)F 34a_100011220023_100011934356 [0,2,0,0,0,0|2,0,0]=4 40188 B14R1.159 Cc1ccccc1CCOCC(F)F 7a_100011220023_100011934356 [0,2,0,0,0,0|2,0,0]=4 40189 B14R1.159 Cc1ccccc1CCOC[C@@H](C)Cl 34a_100016084084_100011713688 [0,2,0,0,0,0|2,0,0]=4 40190 B14R1.159 Cc1ccccc1CCOC[C@@H](C)N 34a_100000737577_100011713688 [0,2,0,0,0,0|2,0,0]=4 40191 B14R1.159 Cc1ccccc1CCOC[C@@H](C)O 34a_100011220023_100009817552 [0,2,0,0,0,0|1,0,0]=3 40192 B14R1.159 Cc1ccccc1CCOC[C@@H](C)O 7a_100011220023_100009817552 [0,2,0,0,0,0|1,0,0]=3 40193 B14R1.159 Cc1ccccc1CCSCC(C)C 62a_100000210624_100011713688 [0,2,0,0,0,0|2,0,0]=4 40194 B14R1.159 Cc1ccccc1CCSCC(C)C 62a_100011713688_100000210760 [0,2,0,0,0,0|2,0,0]=4 40195 B14R1.159 Cc1ccccc1CCSCC(C)O 62a_100011218427_100011713688 [0,2,0,0,0,0|1,0,0]=3 40196 B14R1.159 Cc1ccccc1CCSCC(C)O 62a_100011713688_100011218427 [0,2,0,0,0,0|1,0,0]=3 40197 B14R1.159 Cc1ccccc1CCSCC(F)F 62a_100011713688_100011934356 [0,2,0,0,0,0|2,0,0]=4 40198 B14R1.159 Cc1ccccc1CCSCC(F)F 62a_100011934356_100011713688 [0,2,0,0,0,0|2,0,0]=4 40199 B14R1.159 Cc1ccccc1CCSC[C@@H](C)O 62a_100009817552_100011713688 [0,2,0,0,0,0|1,0,0]=3 40200 B14R1.159 Cc1ccccc1CCSC[C@@H](C)O 62a_100011713688_100009817552 [0,2,0,0,0,0|1,0,0]=3 40201 B14R1.159 Cc1ccccc1CNCCC(C)C 207a_100000210545_100000211143 [0,2,0,0,0,0|2,0,0]=4 40202 B14R1.159 Cc1ccccc1CNCCC(C)C 269862a_100000174972_100000185833 [0,2,0,0,0,0|2,0,0]=4 40203 B14R1.159 Cc1ccccc1CNCCC(C)C 270004a_100000210545_100000211143 [0,2,0,0,0,0|2,0,0]=4 40204 B14R1.159 Cc1ccccc1CNCCC(C)C 34a_100000174972_100000210312 [0,2,0,0,0,0|2,0,0]=4 40205 B14R1.159 Cc1ccccc1CNCCC(C)O 207a_200000755665_100000211143 [0,2,0,0,0,0|1,0,0]=3 40206 B14R1.159 Cc1ccccc1CNCCC(C)O 2230a_200000755665_100000211839 [0,2,0,0,0,0|1,0,0]=3 40207 B14R1.159 Cc1ccccc1CNCCC(C)O 270004a_200000755665_100000211143 [0,2,0,0,0,0|1,0,0]=3 40208 B14R1.159 Cc1ccccc1CNCCC(C)O 34a_100000174972_100012276601 [0,2,0,0,0,0|1,0,0]=3 40209 B14R1.159 Cc1ccccc1COCCC(C)Br 34a_100009893172_100000211839 [0,2,0,0,0,0|2,0,0]=4 40210 B14R1.159 Cc1ccccc1COCCC(C)C 34a_100000210254_100000211839 [0,2,0,0,0,0|2,0,0]=4 40211 B14R1.159 Cc1ccccc1COCCC(C)C 34a_100000698903_100000210312 [0,2,0,0,0,0|2,0,0]=4 40212 B14R1.159 Cc1ccccc1COCCC(C)C 7a_100000210254_100000211839 [0,2,0,0,0,0|2,0,0]=4 40213 B14R1.159 Cc1ccccc1COCCC(C)C 7a_100000698903_100000210626 [0,2,0,0,0,0|2,0,0]=4 40214 B14R1.159 Cc1ccccc1COCCC(C)O 34a_100000698903_100012276601 [0,2,0,0,0,0|1,0,0]=3 40215 B14R1.159 Cc1ccccc1COCCC(C)O 7a_100000698903_100012276601 [0,2,0,0,0,0|1,0,0]=3 40216 B14R1.159 Cc1ccccc1COCCC(F)F 34a_100103093639_100000211839 [0,2,0,0,0,0|2,0,0]=4 40217 B14R1.159 Cc1ccccc1COCC[C@@H](C)N 34a_100000706166_100000211839 [0,2,0,0,0,0|2,0,0]=4 40218 B14R1.159 Cc1ccccc1CSCCC(C)C 62a_100000210312_100000211839 [0,2,0,0,0,0|2,0,0]=4 40219 B14R1.159 Cc1ccccc1CSCCC(C)C 62a_100000211839_100000210312 [0,2,0,0,0,0|2,0,0]=4 40220 B14R1.159 Cc1ccccc1CSCCC(C)O 62a_100000211839_100012276601 [0,2,0,0,0,0|1,0,0]=3 40221 B14R1.159 Cc1ccccc1CSCCC(C)O 62a_100012276601_100000211839 [0,2,0,0,0,0|1,0,0]=3 40222 B14R1.159 Cc1ccccc1NCCCC(C)C 34a_100015192222_100011214892 [0,2,0,0,0,0|2,0,0]=4 40223 B14R1.159 Cc1ccccc1NCCCC(C)O 34a_100015192222_200000718107 [0,2,0,0,0,0|1,0,0]=3 40224 B14R1.159 Cc1ccccc1OCCCC(C)C 34a_100000210338_100011214892 [0,2,0,0,0,0|2,0,0]=4 40225 B14R1.159 Cc1ccccc1OCCCC(C)C 7a_100000210338_100011214892 [0,2,0,0,0,0|2,0,0]=4 40226 B14R1.159 Cc1ccccc1OCCCC(C)O 34a_100000210338_200000718107 [0,2,0,0,0,0|1,0,0]=3 40227 B14R1.159 Cc1ccccc1OCCCC(C)O 7a_100000210338_200000718107 [0,2,0,0,0,0|1,0,0]=3 40228 B14R1.159 Cc1ccccc1SCCCC(C)C 62a_100000210755_100011214892 [0,2,0,0,0,0|2,0,0]=4 40229 B14R1.159 Cc1ccccc1SCCCC(C)C 62a_100011214892_100000210755 [0,2,0,0,0,0|2,0,0]=4 40230 B14R1.159 Cc1ccccc1SCCCC(C)O 62a_100000210755_200000718107 [0,2,0,0,0,0|1,0,0]=3 40231 B14R1.159 Cc1ccccc1SCCCC(C)O 62a_200000718107_100000210755 [0,2,0,0,0,0|1,0,0]=3 40232 B14R1.159 Cc1cccnc1CCOCC(C)O 34a_100011997706_100011218427 [0,2,0,0,0,0|2,0,0]=4 40233 B14R1.159 Cc1cccnc1CCOCC(C)O 7a_100011997706_100011218427 [0,2,0,0,0,0|2,0,0]=4 40234 B14R1.159 Cc1cccnc1CCOC[C@@H](C)O 34a_100011997706_100009817552 [0,2,0,0,0,0|2,0,0]=4 40235 B14R1.159 Cc1cccnc1CCOC[C@@H](C)O 7a_100011997706_100009817552 [0,2,0,0,0,0|2,0,0]=4 40236 B14R1.159 Cc1cccnc1CNCCC(C)O 207a_200000755665_100000698913 [0,2,0,0,0,0|2,0,0]=4 40237 B14R1.159 Cc1cccnc1CNCCC(C)O 2230a_200000755665_100000696600 [0,2,0,0,0,0|2,0,0]=4 40238 B14R1.159 Cc1cccnc1CNCCC(C)O 270004a_200000755665_100000698913 [0,2,0,0,0,0|2,0,0]=4 40239 B14R1.159 Cc1cccnc1CNCCC(C)O 34a_100011223789_100012276601 [0,2,0,0,0,0|2,0,0]=4 40240 B14R1.159 Cc1cccnc1COCCC(C)O 34a_100000698912_100012276601 [0,2,0,0,0,0|2,0,0]=4 40241 B14R1.159 Cc1cccnc1CSCCC(C)O 62a_100000696600_100012276601 [0,2,0,0,0,0|2,0,0]=4 40242 B14R1.159 Cc1cccnc1CSCCC(C)O 62a_100012276601_100000696600 [0,2,0,0,0,0|2,0,0]=4 40243 B14R1.159 Cc1cccnc1SCCCC(C)O 62a_100000751373_200000718107 [0,2,0,0,0,0|2,0,0]=4 40244 B14R1.159 Cc1cccnc1SCCCC(C)O 62a_200000718107_100000751373 [0,2,0,0,0,0|2,0,0]=4 40245 B14R1.159 Cc1ccncc1CNCCC(C)O 207a_200000755665_100000685662 [0,2,0,0,0,0|2,0,0]=4 40246 B14R1.159 Cc1ccncc1CNCCC(C)O 2230a_200000755665_100000690890 [0,2,0,0,0,0|2,0,0]=4 40247 B14R1.159 Cc1ccncc1CNCCC(C)O 270004a_200000755665_100000685662 [0,2,0,0,0,0|2,0,0]=4 40248 B14R1.159 Cc1ccncc1COCCC(C)O 34a_100011996381_100012276601 [0,2,0,0,0,0|2,0,0]=4 40249 B14R1.159 Cc1ccncc1CSCCC(C)O 62a_100000690890_100012276601 [0,2,0,0,0,0|2,0,0]=4 40250 B14R1.159 Cc1ccncc1CSCCC(C)O 62a_100012276601_100000690890 [0,2,0,0,0,0|2,0,0]=4 40251 B14R1.159 Cc1ccncc1OCCCC(C)O 34a_100011997053_200000718107 [0,2,0,0,0,0|2,0,0]=4 40252 B14R1.159 Cc1ccncc1OCCCC(C)O 7a_100011997053_200000718107 [0,2,0,0,0,0|2,0,0]=4 40253 B14R1.159 Cc1ccncc1SCCCC(C)O 62a_100000761580_200000718107 [0,2,0,0,0,0|2,0,0]=4 40254 B14R1.159 Cc1ccncc1SCCCC(C)O 62a_200000718107_100000761580 [0,2,0,0,0,0|2,0,0]=4 40255 B14R1.159 Cc1cnccc1CNCCC(C)O 2230a_200000755665_100020672808 [0,2,0,0,0,0|2,0,0]=4 40256 B14R1.159 Cc1cnccc1COCCC(C)O 34a_100011997032_100012276601 [0,2,0,0,0,0|2,0,0]=4 40257 B14R1.159 Cc1cnccc1CSCCC(C)O 62a_100012276601_100020672808 [0,2,0,0,0,0|2,0,0]=4 40258 B14R1.159 Cc1cnccc1CSCCC(C)O 62a_100020672808_100012276601 [0,2,0,0,0,0|2,0,0]=4 40259 B14R1.159 Cc1cnccc1OCCCC(C)O 34a_100000694293_200000718107 [0,2,0,0,0,0|2,0,0]=4 40260 B14R1.159 Cc1cnccc1SCCCC(C)O 62a_100000765111_200000718107 [0,2,0,0,0,0|2,0,0]=4 40261 B14R1.159 Cc1cnccc1SCCCC(C)O 62a_200000718107_100000765111 [0,2,0,0,0,0|2,0,0]=4 40262 B14R1.159 Cc1ncccc1CNCCC(C)O 207a_200000755665_100000751968 [0,2,0,0,0,0|2,0,0]=4 40263 B14R1.159 Cc1ncccc1CNCCC(C)O 2230a_200000755665_100000732876 [0,2,0,0,0,0|2,0,0]=4 40264 B14R1.159 Cc1ncccc1CNCCC(C)O 270004a_200000755665_100000751968 [0,2,0,0,0,0|2,0,0]=4 40265 B14R1.159 Cc1ncccc1COCCC(C)O 34a_100000729262_100012276601 [0,2,0,0,0,0|2,0,0]=4 40266 B14R1.159 Cc1ncccc1COCCC(C)O 7a_100000729262_100012276601 [0,2,0,0,0,0|2,0,0]=4 40267 B14R1.159 Cc1ncccc1CSCCC(C)O 62a_100000732876_100012276601 [0,2,0,0,0,0|2,0,0]=4 40268 B14R1.159 Cc1ncccc1CSCCC(C)O 62a_100012276601_100000732876 [0,2,0,0,0,0|2,0,0]=4 40269 B14R1.159 Cc1ncccc1OCCCC(C)O 34a_100000745507_200000718107 [0,2,0,0,0,0|2,0,0]=4 40270 B14R1.159 Cc1ncccc1OCCCC(C)O 7a_100000745507_200000718107 [0,2,0,0,0,0|2,0,0]=4 40271 B14R1.159 Cc1ncccc1SCCCC(C)O 62a_100000751574_200000718107 [0,2,0,0,0,0|2,0,0]=4 40272 B14R1.159 Cc1ncccc1SCCCC(C)O 62a_200000718107_100000751574 [0,2,0,0,0,0|2,0,0]=4 40273 B14R1.159 FC(F)CCOCc1ccccc1Br 34a_100103093639_100000184730 [0,2,0,0,0,0|2,0,0]=4 40274 B14R1.159 FC(F)CCOCc1ccccc1Cl 34a_100103093639_100000187162 [0,2,0,0,0,0|2,0,0]=4 40275 B14R1.159 FC(F)CCOCc1ccccc1I 34a_100103093639_100011215278 [0,2,0,0,0,0|2,0,0]=4 40276 B14R1.159 FC(F)CNCCc1ccccc1Br 2230a_100000747383_100011934356 [0,2,0,0,0,0|2,0,0]=4 40277 B14R1.159 FC(F)CNCCc1ccccc1Br 34a_100000747383_100011934356 [0,2,0,0,0,0|2,0,0]=4 40278 B14R1.159 FC(F)CNCCc1ccccc1Br 34a_100000765723_100012161201 [0,2,0,0,0,0|2,0,0]=4 40279 B14R1.159 FC(F)CNCCc1ccccc1Cl 2230a_100011207228_100011934356 [0,2,0,0,0,0|2,0,0]=4 40280 B14R1.159 FC(F)CNCCc1ccccc1Cl 270004a_100000765723_200011713468 [0,2,0,0,0,0|2,0,0]=4 40281 B14R1.159 FC(F)CNCCc1ccccc1Cl 34a_100000765723_100011713703 [0,2,0,0,0,0|2,0,0]=4 40282 B14R1.159 FC(F)CNCCc1ccccc1Cl 34a_100011207228_100011934356 [0,2,0,0,0,0|2,0,0]=4 40283 B14R1.159 FC(F)COCCc1ccccc1Br 34a_100000731337_100011934356 [0,2,0,0,0,0|2,0,0]=4 40284 B14R1.159 FC(F)COCCc1ccccc1Br 34a_100000743014_100012161201 [0,2,0,0,0,0|2,0,0]=4 40285 B14R1.159 FC(F)COCCc1ccccc1Br 7a_100000731337_100011934356 [0,2,0,0,0,0|2,0,0]=4 40286 B14R1.159 FC(F)COCCc1ccccc1Cl 34a_100000743014_100011713703 [0,2,0,0,0,0|2,0,0]=4 40287 B14R1.159 FC(F)COCCc1ccccc1Cl 34a_100011215284_100011934356 [0,2,0,0,0,0|2,0,0]=4 40288 B14R1.159 FC(F)COCCc1ccccc1Cl 7a_100011215284_100011934356 [0,2,0,0,0,0|2,0,0]=4 40289 B14R1.159 FC(F)COCCc1ccccc1I 34a_100010255290_100011934356 [0,2,0,0,0,0|2,0,0]=4 40290 B14R1.159 FC(F)COCCc1ccccc1I 7a_100010255290_100011934356 [0,2,0,0,0,0|2,0,0]=4 40291 B14R1.159 FC(F)CSCCc1ccccc1Br 62a_100011934356_100012161201 [0,2,0,0,0,0|2,0,0]=4 40292 B14R1.159 FC(F)CSCCc1ccccc1Br 62a_100012161201_100011934356 [0,2,0,0,0,0|2,0,0]=4 40293 B14R1.159 FC(F)CSCCc1ccccc1Cl 62a_100011713703_100011934356 [0,2,0,0,0,0|2,0,0]=4 40294 B14R1.159 FC(F)CSCCc1ccccc1Cl 62a_100011934356_100011713703 [0,2,0,0,0,0|2,0,0]=4 40295 B14R1.159 Fc1ccccc1CCNCC(F)F 2230a_100000185272_100011934356 [0,2,0,0,0,0|2,0,0]=4 40296 B14R1.159 Fc1ccccc1CCNCC(F)F 34a_100000185272_100011934356 [0,2,0,0,0,0|2,0,0]=4 40297 B14R1.159 Fc1ccccc1CCNCC(F)F 34a_100000765723_100000720011 [0,2,0,0,0,0|2,0,0]=4 40298 B14R1.159 Fc1ccccc1CCOCC(F)F 34a_100000743014_100000720011 [0,2,0,0,0,0|2,0,0]=4 40299 B14R1.159 Fc1ccccc1CCOCC(F)F 34a_100000753711_100011934356 [0,2,0,0,0,0|2,0,0]=4 40300 B14R1.159 Fc1ccccc1CCOCC(F)F 7a_100000753711_100011934356 [0,2,0,0,0,0|2,0,0]=4 40301 B14R1.159 Fc1ccccc1CCSCC(F)F 62a_100011713696_100011934356 [0,2,0,0,0,0|2,0,0]=4 40302 B14R1.159 Fc1ccccc1CCSCC(F)F 62a_100011934356_100011713696 [0,2,0,0,0,0|2,0,0]=4 40303 B14R1.159 Fc1ccccc1COCCC(F)F 34a_100103093639_100000211605 [0,2,0,0,0,0|2,0,0]=4 40304 B14R1.159 Nc1ccccc1CCOCC(F)F 34a_100011215289_100011934356 [0,2,0,0,0,0|2,0,0]=4 40305 B14R1.159 O=C(O)CNCCc1ccccc1Br 269956a_100016091260_100012161201 [0,2,0,0,0,0|1,0,1]=4 40306 B14R1.159 O=C(O)CNCCc1ccccc1Cl 269956a_100016091260_100011713703 [0,2,0,0,0,0|1,0,1]=4 40307 B14R1.159 O=C(O)CNCCc1ccccc1F 269956a_100016091260_100011713696 [0,2,0,0,0,0|1,0,1]=4 40308 B14R1.159 O=C(O)CNCCc1ccccc1O 269956a_100016091260_100000722297 [0,2,0,0,0,0|1,0,1]=4 40309 B14R1.159 Oc1ccccc1CCNCC(F)F 34a_100000765723_100000722297 [0,2,0,0,0,0|2,0,0]=4 40310 B14R1.159 Oc1ccccc1CCNCC(F)F 34a_100011207237_100011934356 [0,2,0,0,0,0|2,0,0]=4 40311 B14R1.159 Oc1ccccc1CCOCC(F)F 34a_100000743014_100000722297 [0,2,0,0,0,0|2,0,0]=4 40312 B14R1.159 Oc1ccccc1CCSCC(F)F 62a_100000722297_100011934356 [0,2,0,0,0,0|2,0,0]=4 40313 B14R1.159 Oc1ccccc1CCSCC(F)F 62a_100011934356_100000722297 [0,2,0,0,0,0|2,0,0]=4 40314 B14R1.3331 CC(C)(C)CCNCc1ccccc1 207a_100000738805_100015611070 [0,2,0,0,0,0|2,0,0]=4 40315 B14R1.3331 CC(C)(C)CCNCc1ccccc1 2230a_100000738805_100015291786 [0,2,0,0,0,0|2,0,0]=4 40316 B14R1.3331 CC(C)(C)CCNCc1ccccc1 2230a_100015324214_100000755188 [0,2,0,0,0,0|2,0,0]=4 40317 B14R1.3331 CC(C)(C)CCNCc1ccccc1 270004a_100000738805_100015611070 [0,2,0,0,0,0|2,0,0]=4 40318 B14R1.3331 CC(C)(C)CCNCc1ccccc1 34a_100015324214_100000755188 [0,2,0,0,0,0|2,0,0]=4 40319 B14R1.3331 CC(C)(C)CCOCc1ccccc1 34a_100000210790_100000755188 [0,2,0,0,0,0|2,0,0]=4 40320 B14R1.3331 CC(C)(C)CCOCc1ccccc1 7a_100000210790_100000755188 [0,2,0,0,0,0|2,0,0]=4 40321 B14R1.3331 CC(C)(C)CCOCc1ccccc1 7a_100000765024_100000211182 [0,2,0,0,0,0|2,0,0]=4 40322 B14R1.3331 CC(C)(C)CCSCc1ccccc1 62a_100000211182_100000755188 [0,2,0,0,0,0|2,0,0]=4 40323 B14R1.3331 CC(C)(C)CCSCc1ccccc1 62a_100000755188_100015291786 [0,2,0,0,0,0|2,0,0]=4 40324 B14R1.3331 CC(C)(C)CNCCc1ccccc1 2230a_100000743828_100000765856 [0,2,0,0,0,0|2,0,0]=4 40325 B14R1.3331 CC(C)(C)CNCCc1ccccc1 270004a_100000106460_100011204126 [0,2,0,0,0,0|2,0,0]=4 40326 B14R1.3331 CC(C)(C)CNCCc1ccccc1 34a_100000106460_100011219605 [0,2,0,0,0,0|2,0,0]=4 40327 B14R1.3331 CC(C)(C)COCCc1ccccc1 34a_100000210268_100011219605 [0,2,0,0,0,0|2,0,0]=4 40328 B14R1.3331 CC(C)(C)CSCCc1ccccc1 62a_100000765856_100011219605 [0,2,0,0,0,0|2,0,0]=4 40329 B14R1.3331 CC(C)(C)CSCCc1ccccc1 62a_100011219605_100011218657 [0,2,0,0,0,0|2,0,0]=4 40330 B14R1.3331 CC(C)(C)NCCCc1ccccc1 2230a_100000715429_100000211621 [0,2,0,0,0,0|2,0,0]=4 40331 B14R1.3331 CC(C)(C)NCCCc1ccccc1 34a_100000211184_100000210625 [0,2,0,0,0,0|2,0,0]=4 40332 B14R1.3331 CC(C)(C)OCCCc1ccccc1 34a_100000210828_100000210625 [0,2,0,0,0,0|2,0,0]=4 40333 B14R1.3331 CC(C)(C)OCCCc1ccccc1 34a_100015890283_100000211621 [0,2,0,0,0,0|2,0,0]=4 40334 B14R1.3331 CC(C)(C)OCCCc1ccccc1 7a_100015890283_100000211621 [0,2,0,0,0,0|2,0,0]=4 40335 B14R1.3331 CC(C)(C)SCCCc1ccccc1 62a_100000211621_100000211941 [0,2,0,0,0,0|2,0,0]=4 40336 B14R1.3331 CC(C)(C)SCCCc1ccccc1 62a_100000211941_100000211621 [0,2,0,0,0,0|2,0,0]=4 40337 B14R1.3331 CC(C)(F)CCNCc1ccccc1 207a_100016253952_100015611070 [0,2,0,0,0,0|2,0,0]=4 40338 B14R1.3331 CC(C)(F)CCNCc1ccccc1 2230a_100016253952_100015291786 [0,2,0,0,0,0|2,0,0]=4 40339 B14R1.3331 CC(C)(F)CCNCc1ccccc1 270004a_100016253952_100015611070 [0,2,0,0,0,0|2,0,0]=4 40340 B14R1.3331 CC(C)(F)CNCCc1ccccc1 2230a_100020643315_100000765856 [0,2,0,0,0,0|2,0,0]=4 40341 B14R1.3331 CC(C)(F)CNCCc1ccccc1 34a_100000106460_100011997219 [0,2,0,0,0,0|2,0,0]=4 40342 B14R1.3331 CC(C)(F)COCCc1ccccc1 34a_100000210268_100011997219 [0,2,0,0,0,0|2,0,0]=4 40343 B14R1.3331 CC(C)(F)COCCc1ccccc1 34a_100000716592_100000765856 [0,2,0,0,0,0|2,0,0]=4 40344 B14R1.3331 CC(C)(F)CSCCc1ccccc1 62a_100000765856_100011997219 [0,2,0,0,0,0|2,0,0]=4 40345 B14R1.3331 CC(C)(F)CSCCc1ccccc1 62a_100011997219_100011218657 [0,2,0,0,0,0|2,0,0]=4 40346 B14R1.3331 CC(C)(O)CCCNc1ccccc1 34a_100000106764_100009888830 [0,2,0,0,0,0|1,0,0]=3 40347 B14R1.3331 CC(C)(O)CCCOc1ccccc1 34a_100000210340_100009888830 [0,2,0,0,0,0|1,0,0]=3 40348 B14R1.3331 CC(C)(O)CCCOc1ccccc1 7a_100000210340_100009888830 [0,2,0,0,0,0|1,0,0]=3 40349 B14R1.3331 CC(C)(O)CCCOc1cccnc1 34a_100000210849_100009888830 [0,2,0,0,0,0|2,0,0]=4 40350 B14R1.3331 CC(C)(O)CCCOc1cccnc1 7a_100000210849_100009888830 [0,2,0,0,0,0|2,0,0]=4 40351 B14R1.3331 CC(C)(O)CCCOc1ccncc1 34a_100000212176_100009888830 [0,2,0,0,0,0|2,0,0]=4 40352 B14R1.3331 CC(C)(O)CCCSc1ccccc1 62a_100000719477_100009888830 [0,2,0,0,0,0|1,0,0]=3 40353 B14R1.3331 CC(C)(O)CCCSc1ccccc1 62a_100009888830_100000041952 [0,2,0,0,0,0|1,0,0]=3 40354 B14R1.3331 CC(C)(O)CCCSc1ccccn1 62a_100009888830_100011216584 [0,2,0,0,0,0|2,0,0]=4 40355 B14R1.3331 CC(C)(O)CCCSc1ccccn1 62a_100011216584_100009888830 [0,2,0,0,0,0|2,0,0]=4 40356 B14R1.3331 CC(C)(O)CCCSc1cccnc1 62a_100000210063_100009888830 [0,2,0,0,0,0|2,0,0]=4 40357 B14R1.3331 CC(C)(O)CCCSc1cccnc1 62a_100009888830_100000210063 [0,2,0,0,0,0|2,0,0]=4 40358 B14R1.3331 CC(C)(O)CCCSc1ccncc1 62a_100000728582_100009888830 [0,2,0,0,0,0|2,0,0]=4 40359 B14R1.3331 CC(C)(O)CCCSc1ccncc1 62a_100009888830_100000728582 [0,2,0,0,0,0|2,0,0]=4 40360 B14R1.3331 CC(C)(O)CCNCc1ccccc1 207a_100000707701_100015611070 [0,2,0,0,0,0|1,0,0]=3 40361 B14R1.3331 CC(C)(O)CCNCc1ccccc1 2230a_100015324214_100000702414 [0,2,0,0,0,0|1,0,0]=3 40362 B14R1.3331 CC(C)(O)CCNCc1ccccc1 270004a_100000707701_100015611070 [0,2,0,0,0,0|1,0,0]=3 40363 B14R1.3331 CC(C)(O)CCNCc1ccccc1 34a_100015324214_100000702414 [0,2,0,0,0,0|1,0,0]=3 40364 B14R1.3331 CC(C)(O)CCNCc1ccccn1 207a_100000707701_100000209966 [0,2,0,0,0,0|2,0,0]=4 40365 B14R1.3331 CC(C)(O)CCNCc1ccccn1 270004a_100000707701_100000209966 [0,2,0,0,0,0|2,0,0]=4 40366 B14R1.3331 CC(C)(O)CCNCc1cccnc1 207a_100000707701_100000209961 [0,2,0,0,0,0|2,0,0]=4 40367 B14R1.3331 CC(C)(O)CCNCc1cccnc1 270004a_100000707701_100000209961 [0,2,0,0,0,0|2,0,0]=4 40368 B14R1.3331 CC(C)(O)CCNCc1ccncc1 207a_100000707701_100000186114 [0,2,0,0,0,0|2,0,0]=4 40369 B14R1.3331 CC(C)(O)CCOCc1ccccc1 34a_100000210790_100000702414 [0,2,0,0,0,0|1,0,0]=3 40370 B14R1.3331 CC(C)(O)CCOCc1ccccc1 7a_100000210790_100000702414 [0,2,0,0,0,0|1,0,0]=3 40371 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000211182_100000702414 [0,2,0,0,0,0|1,0,0]=3 40372 B14R1.3331 CC(C)(O)CCSCc1ccccc1 62a_100000702414_100015291786 [0,2,0,0,0,0|1,0,0]=3 40373 B14R1.3331 CC(C)(O)CCSCc1ccccn1 62a_100000702414_100000721315 [0,2,0,0,0,0|2,0,0]=4 40374 B14R1.3331 CC(C)(O)CCSCc1ccccn1 62a_100000721315_100000702414 [0,2,0,0,0,0|2,0,0]=4 40375 B14R1.3331 CC(C)(O)CCSCc1cccnc1 62a_100000702414_100000741622 [0,2,0,0,0,0|2,0,0]=4 40376 B14R1.3331 CC(C)(O)CCSCc1cccnc1 62a_100000741622_100000702414 [0,2,0,0,0,0|2,0,0]=4 40377 B14R1.3331 CC(C)(O)CCSCc1ccncc1 62a_100000702414_100015193705 [0,2,0,0,0,0|2,0,0]=4 40378 B14R1.3331 CC(C)(O)CCSCc1ccncc1 62a_100015193705_100000702414 [0,2,0,0,0,0|2,0,0]=4 40379 B14R1.3331 CC(C)(O)CNCCc1ccccc1 2230a_100000751335_100000765856 [0,2,0,0,0,0|1,0,0]=3 40380 B14R1.3331 CC(C)(O)CNCCc1ccccc1 34a_100000106460_100000764493 [0,2,0,0,0,0|1,0,0]=3 40381 B14R1.3331 CC(C)(O)CNCCc1ccccn1 2230a_100000751335_100015183660 [0,2,0,0,0,0|2,0,0]=4 40382 B14R1.3331 CC(C)(O)CNCCc1cccnc1 2230a_100000751335_200011713674 [0,2,0,0,0,0|2,0,0]=4 40383 B14R1.3331 CC(C)(O)CNCCc1ccncc1 2230a_100000751335_100000723409 [0,2,0,0,0,0|2,0,0]=4 40384 B14R1.3331 CC(C)(O)CNCSc1ccccc1 2230a_100000751335_100011218342 [0,2,0,0,0,0|2,0,0]=4 40385 B14R1.3331 CC(C)(O)COCCc1ccccc1 34a_100000210268_100000764493 [0,2,0,0,0,0|1,0,0]=3 40386 B14R1.3331 CC(C)(O)COCCc1ccccc1 7a_100000210268_100000764493 [0,2,0,0,0,0|1,0,0]=3 40387 B14R1.3331 CC(C)(O)COCCc1ccccn1 34a_100000210271_100000764493 [0,2,0,0,0,0|2,0,0]=4 40388 B14R1.3331 CC(C)(O)COCCc1cccnc1 34a_100011217484_100000764493 [0,2,0,0,0,0|2,0,0]=4 40389 B14R1.3331 CC(C)(O)COCCc1ccncc1 34a_100011216225_100000764493 [0,2,0,0,0,0|2,0,0]=4 40390 B14R1.3331 CC(C)(O)CSCCc1ccccc1 62a_100000764493_100011218657 [0,2,0,0,0,0|1,0,0]=3 40391 B14R1.3331 CC(C)(O)CSCCc1ccccc1 62a_100000765856_100000764493 [0,2,0,0,0,0|1,0,0]=3 40392 B14R1.3331 CC(C)(O)CSCCc1ccccn1 62a_100000764493_100015183660 [0,2,0,0,0,0|2,0,0]=4 40393 B14R1.3331 CC(C)(O)CSCCc1ccccn1 62a_100015183660_100000764493 [0,2,0,0,0,0|2,0,0]=4 40394 B14R1.3331 CC(C)(O)CSCCc1cccnc1 62a_100000764493_200011713674 [0,2,0,0,0,0|2,0,0]=4 40395 B14R1.3331 CC(C)(O)CSCCc1cccnc1 62a_200011713674_100000764493 [0,2,0,0,0,0|2,0,0]=4 40396 B14R1.3331 CC(C)(O)CSCCc1ccncc1 62a_100000723409_100000764493 [0,2,0,0,0,0|2,0,0]=4 40397 B14R1.3331 CC(C)(O)CSCCc1ccncc1 62a_100000764493_100000723409 [0,2,0,0,0,0|2,0,0]=4 40398 B14R1.3331 CC(C)(O)CSCSc1ccccc1 62a_100000764493_100011218342 [0,2,0,0,0,0|2,0,0]=4 40399 B14R1.3331 CC(C)(O)CSCSc1ccccc1 62a_100011218342_100000764493 [0,2,0,0,0,0|2,0,0]=4 40400 B14R1.3331 CC(F)(F)COCCc1ccccc1 34a_100000068830_100000765856 [0,2,0,0,0,0|2,0,0]=4 40401 B14R1.3331 FC(F)(Br)COCCc1ccccc1 34a_100011217949_100000765856 [0,2,0,0,0,0|2,0,0]=4 40402 B14R1.3331 FC(F)(Cl)COCCc1ccccc1 34a_100000734434_100000765856 [0,2,0,0,0,0|2,0,0]=4 40403 B14R1.3331 FC(F)(F)CCCNc1ccccc1 34a_100000106764_100011215983 [0,2,0,0,0,0|2,0,0]=4 40404 B14R1.3331 FC(F)(F)CCCOc1ccccc1 34a_100000210340_100011215983 [0,2,0,0,0,0|2,0,0]=4 40405 B14R1.3331 FC(F)(F)CCCOc1ccccc1 7a_100000210340_100011216173 [0,2,0,0,0,0|2,0,0]=4 40406 B14R1.3331 FC(F)(F)CCCSc1ccccc1 62a_100000719477_100011216173 [0,2,0,0,0,0|2,0,0]=4 40407 B14R1.3331 FC(F)(F)CCCSc1ccccc1 62a_100011216173_100000041952 [0,2,0,0,0,0|2,0,0]=4 40408 B14R1.3331 FC(F)(F)CCNCc1ccccc1 207a_100000740434_100015611070 [0,2,0,0,0,0|2,0,0]=4 40409 B14R1.3331 FC(F)(F)CCNCc1ccccc1 2230a_100000740434_100015291786 [0,2,0,0,0,0|2,0,0]=4 40410 B14R1.3331 FC(F)(F)CCNCc1ccccc1 270004a_100000740434_100015611070 [0,2,0,0,0,0|2,0,0]=4 40411 B14R1.3331 FC(F)(F)CCNCc1ccccc1 34a_100000740434_100015291786 [0,2,0,0,0,0|2,0,0]=4 40412 B14R1.3331 FC(F)(F)CCNCc1ccccc1 34a_100015324214_100011219754 [0,2,0,0,0,0|2,0,0]=4 40413 B14R1.3331 FC(F)(F)CCOCc1ccccc1 34a_100000210790_100011219754 [0,2,0,0,0,0|2,0,0]=4 40414 B14R1.3331 FC(F)(F)CCOCc1ccccc1 34a_100000752437_100015291786 [0,2,0,0,0,0|2,0,0]=4 40415 B14R1.3331 FC(F)(F)CCOCc1ccccc1 7a_100000210790_100011219754 [0,2,0,0,0,0|2,0,0]=4 40416 B14R1.3331 FC(F)(F)CCSCc1ccccc1 62a_100000211182_100011219754 [0,2,0,0,0,0|2,0,0]=4 40417 B14R1.3331 FC(F)(F)CCSCc1ccccc1 62a_100011219754_100015291786 [0,2,0,0,0,0|2,0,0]=4 40418 B14R1.3331 FC(F)(F)CNCCc1ccccc1 2230a_100000106460_100000763148 [0,2,0,0,0,0|2,0,0]=4 40419 B14R1.3331 FC(F)(F)CNCCc1ccccc1 34a_100000717047_100000765856 [0,2,0,0,0,0|2,0,0]=4 40420 B14R1.3331 FC(F)(F)COCCc1ccccc1 34a_100000210435_100000765856 [0,2,0,0,0,0|2,0,0]=4 40421 B14R1.3331 FC(F)(F)CSCCc1ccccc1 62a_100000763148_100011218657 [0,2,0,0,0,0|2,0,0]=4 40422 B14R1.3331 FC(F)(F)CSCCc1ccccc1 62a_100000765856_100000763148 [0,2,0,0,0,0|2,0,0]=4 40423 B14R1.3331 FC(F)(F)NCCCc1ccccc1 34a_100000211184_200103152311 [0,2,0,0,0,0|2,0,0]=4 40424 B14R1.3331 FC(F)(F)OCCCc1ccccc1 34a_100000210828_200103152311 [0,2,0,0,0,0|2,0,0]=4 40425 B14R1.3331 FC(F)(F)OCCCc1ccccc1 7a_100000210828_200000243211 [0,2,0,0,0,0|2,0,0]=4 40426 B14R1.3331 FC(F)(F)SCCCc1ccccc1 62a_100000211621_200103152311 [0,2,0,0,0,0|2,0,0]=4 40427 B14R1.3331 FC(F)(F)SCCCc1ccccc1 62a_200000243211_100000211621 [0,2,0,0,0,0|2,0,0]=4 40428 B14R1.6449 CC(=O)C(C)CCCc1ccccc1 1458a_100000070787_200010759516 [0,2,0,0,0,0|0,0,2]=4 40429 B14R1.6449 CC(C)C(=O)CCCc1ccccc1 1458a_100000210198_100000211621 [0,2,0,0,0,0|1,0,1]=4 40430 B14R1.6449 CC(C)C(=O)CCCc1ccccc1 1458a_100011207963_100000210206 [0,2,0,0,0,0|1,0,1]=4 40431 B14R1.6449 CC(C)C(C)NCCc1ccccc1 2230a_100000211541_100000765856 [0,2,0,0,0,0|2,0,0]=4 40432 B14R1.6449 CC(C)C(C)OCCc1ccccc1 7a_100000748068_100000765856 [0,2,0,0,0,0|2,0,0]=4 40433 B14R1.6449 CC(C)C(O)CNCc1ccccc1 207a_100000759067_100015611070 [0,2,0,0,0,0|2,0,0]=4 40434 B14R1.6449 CC(C)C(O)CNCc1ccccc1 2230a_100000759067_100015291786 [0,2,0,0,0,0|2,0,0]=4 40435 B14R1.6449 CC(C)C(O)CNCc1ccccc1 270004a_100000759067_100015611070 [0,2,0,0,0,0|2,0,0]=4 40436 B14R1.6449 CC(C)C(O)CNCc1ccccc1 34a_100000759067_100015291786 [0,2,0,0,0,0|2,0,0]=4 40437 B14R1.6449 CC(C)N(C)CCCc1ccccc1 2230a_100000693637_100000210206 [0,2,0,0,0,0|2,0,0]=4 40438 B14R1.6449 CC(C)N(C)CCCc1ccccc1 269982a_100000693637_100000210206 [0,2,0,0,0,0|2,0,0]=4 40439 B14R1.6449 CC(C)N(C)CCCc1ccccc1 269982a_200000211004_100000211621 [0,2,0,0,0,0|2,0,0]=4 40440 B14R1.6449 CC(C)[C@@H](N)COCc1ccccc1 34a_100011830312_100015291786 [0,2,0,0,0,0|2,0,0]=4 40441 B14R1.6449 CC(CCCc1ccccc1)N(C)C 2230a_100102631434_200010759516 [0,2,0,0,0,0|2,0,0]=4 40442 B14R1.6449 CC(CCCc1ccccc1)N(C)C 269982a_100102631434_200010759516 [0,2,0,0,0,0|2,0,0]=4 40443 B14R1.6449 CC(CNCc1ccccc1)C(=O)O 269956a_100000749485_100015291786 [0,2,0,0,0,0|1,0,1]=4 40444 B14R1.6449 CC(F)C(=O)CCCc1ccccc1 1458a_100000062450_100000211621 [0,2,0,0,0,0|1,0,1]=4 40445 B14R1.6449 C[C@@H](O)C(=O)CCCc1ccccc1 1458a_100000717761_100000211621 [0,2,0,0,0,0|0,0,1]=3 40446 B14R1.6449 C[C@@H](O)C(=O)CCOc1ccccc1 1458a_100000717761_100000184471 [0,2,0,0,0,0|1,0,1]=4 40447 B14R1.6449 C[C@@H](O)C(=O)CCSc1ccccc1 1458a_100000717761_100000246102 [0,2,0,0,0,0|1,0,1]=4 40448 B14R1.6449 C[C@@H](O)C(=O)CSCc1ccccc1 1458a_100000717761_200011217039 [0,2,0,0,0,0|1,0,1]=4 40449 B14R1.6449 C[C@@H](O)C(=O)NCCc1ccccc1 240690a_100000106460_100000717761 [0,2,0,0,0,0|1,0,1]=4 40450 B14R1.6449 C[C@H](NCCc1ccccc1)C(=O)O 269956a_100000743915_100000765856 [0,2,0,0,0,0|1,0,1]=4 40451 B14R1.6449 C[C@H](O)C(=O)CCCc1ccccc1 1458a_217856618621_100000211621 [0,2,0,0,0,0|0,0,1]=3 40452 B14R1.6449 C[C@H](O)C(=O)CCOc1ccccc1 1458a_217856618621_100000184471 [0,2,0,0,0,0|1,0,1]=4 40453 B14R1.6449 C[C@H](O)C(=O)CCSc1ccccc1 1458a_217856618621_100000246102 [0,2,0,0,0,0|1,0,1]=4 40454 B14R1.6449 C[C@H](O)C(=O)CSCc1ccccc1 1458a_217856618621_200011217039 [0,2,0,0,0,0|1,0,1]=4 40455 B14R1.6449 C[C@H](O)C(=O)NCCc1ccccc1 1626a_100000106460_217856618621 [0,2,0,0,0,0|1,0,1]=4 40456 B14R1.6449 C[C@H](O)C(=O)NCCc1ccccc1 240690a_100000106460_217856618621 [0,2,0,0,0,0|1,0,1]=4 40457 B14R1.6449 O=C(CCCc1ccccc1)C(O)O 1458a_100000233687_100000211621 [0,2,0,0,0,0|0,0,1]=3 40458 B14R1.6449 O=C(CCOc1ccccc1)C(O)O 1458a_100000233687_100000184471 [0,2,0,0,0,0|1,0,1]=4 40459 B14R1.6449 O=C(CCSc1ccccc1)C(O)O 1458a_100000233687_100000246102 [0,2,0,0,0,0|1,0,1]=4 40460 B14R1.6449 O=C(CSCc1ccccc1)C(O)O 1458a_100000233687_200011217039 [0,2,0,0,0,0|1,0,1]=4 40461 B14R1.6449 O=C(NCCc1ccccc1)C(O)O 240690a_100000106460_100000233687 [0,2,0,0,0,0|1,0,1]=4 40462 B14R1.6449 O=C(O)C(F)CNCc1ccccc1 269956a_100000084737_100015291786 [0,2,0,0,0,0|1,0,1]=4 40463 B14R1.476 C#Cc1ccccc1CNCCCC 34a_100020634229_100000210210 [0,2,0,0,0,0|2,0,0]=4 40464 B14R1.476 C#Cc1ccccc1CNCCCF 34a_100020634229_100011934791 [0,2,0,0,0,0|2,0,0]=4 40465 B14R1.476 C#Cc1ccccc1CNCCCO 34a_100020634229_100000230001 [0,2,0,0,0,0|1,0,0]=3 40466 B14R1.476 C#Cc1ccccc1COCCCC 34a_100000054652_100000210210 [0,2,0,0,0,0|2,0,0]=4 40467 B14R1.476 C#Cc1ccccc1COCCCC 7a_100000054652_100000210211 [0,2,0,0,0,0|2,0,0]=4 40468 B14R1.476 C#Cc1ccccc1COCCCF 34a_100000054652_100011934791 [0,2,0,0,0,0|2,0,0]=4 40469 B14R1.476 C#Cc1ccccc1COCCCF 7a_100000054652_100011934791 [0,2,0,0,0,0|2,0,0]=4 40470 B14R1.476 C#Cc1ccccc1COCCCO 34a_100000054652_100000230001 [0,2,0,0,0,0|1,0,0]=3 40471 B14R1.476 C#Cc1ccccc1COCCCO 7a_100000054652_100011215043 [0,2,0,0,0,0|1,0,0]=3 40472 B14R1.476 C#Cc1ccccc1NCCCCC 34a_100011470550_100000718602 [0,2,0,0,0,0|2,0,0]=4 40473 B14R1.476 C#Cc1ccccc1NCCCCF 34a_100011470550_100000729493 [0,2,0,0,0,0|2,0,0]=4 40474 B14R1.476 C#Cc1ccccc1NCCCCO 34a_100011470550_100011216708 [0,2,0,0,0,0|1,0,0]=3 40475 B14R1.476 C#Cc1ccccc1OCCCCC 34a_200011470546_100000718602 [0,2,0,0,0,0|2,0,0]=4 40476 B14R1.476 C#Cc1ccccc1OCCCCC 7a_200011470546_100000210326 [0,2,0,0,0,0|2,0,0]=4 40477 B14R1.476 C#Cc1ccccc1OCCCCF 34a_200011470546_100000729493 [0,2,0,0,0,0|2,0,0]=4 40478 B14R1.476 C#Cc1ccccc1OCCCCF 7a_200011470546_100000729493 [0,2,0,0,0,0|2,0,0]=4 40479 B14R1.476 C#Cc1ccccc1OCCCCO 34a_200011470546_100011216708 [0,2,0,0,0,0|1,0,0]=3 40480 B14R1.476 C#Cc1ccccc1OCCCCO 7a_200011470546_100000210776 [0,2,0,0,0,0|1,0,0]=3 40481 B14R1.476 C=Cc1ccccc1COCCCC 34a_200010883148_100000210210 [0,2,0,0,0,0|2,0,0]=4 40482 B14R1.476 C=Cc1ccccc1COCCCC 7a_200010883148_100000210211 [0,2,0,0,0,0|2,0,0]=4 40483 B14R1.476 C=Cc1ccccc1COCCCF 34a_200010883148_100011934791 [0,2,0,0,0,0|2,0,0]=4 40484 B14R1.476 C=Cc1ccccc1COCCCF 7a_200010883148_100011934791 [0,2,0,0,0,0|2,0,0]=4 40485 B14R1.476 C=Cc1ccccc1COCCCO 34a_200010883148_100000230001 [0,2,0,0,0,0|1,0,0]=3 40486 B14R1.476 C=Cc1ccccc1COCCCO 7a_200010883148_100011215043 [0,2,0,0,0,0|1,0,0]=3 40487 B14R1.476 C=Cc1ccccc1CSCCCC 271570a_100011290941_200011870348 [0,2,0,0,0,0|2,0,0]=4 40488 B14R1.476 C=Cc1ccccc1NCCCCC 34a_100012022501_100000718602 [0,2,0,0,0,0|2,0,0]=4 40489 B14R1.476 C=Cc1ccccc1NCCCCF 34a_100012022501_100000729493 [0,2,0,0,0,0|2,0,0]=4 40490 B14R1.476 C=Cc1ccccc1NCCCCO 34a_100012022501_100011216708 [0,2,0,0,0,0|1,0,0]=3 40491 B14R1.476 C=Cc1ccccc1SCCCCC 62a_100000210326_100011218376 [0,2,0,0,0,0|2,0,0]=4 40492 B14R1.476 C=Cc1ccccc1SCCCCC 62a_100011218376_100000210326 [0,2,0,0,0,0|2,0,0]=4 40493 B14R1.476 C=Cc1ccccc1SCCCCF 62a_100000729493_100011218376 [0,2,0,0,0,0|2,0,0]=4 40494 B14R1.476 C=Cc1ccccc1SCCCCF 62a_100011218376_100000729493 [0,2,0,0,0,0|2,0,0]=4 40495 B14R1.476 C=Cc1ccccc1SCCCCO 62a_100000210776_100011218376 [0,2,0,0,0,0|1,0,0]=3 40496 B14R1.476 C=Cc1ccccc1SCCCCO 62a_100011218376_100000210776 [0,2,0,0,0,0|1,0,0]=3 40497 B14R1.476 CCCCCNc1ccccc1C#N 34a_100000211148_100000718602 [0,2,0,0,0,0|2,0,0]=4 40498 B14R1.476 CCCCCNc1ccccc1CC 2230a_100000212081_100000210326 [0,2,0,0,0,0|2,0,0]=4 40499 B14R1.476 CCCCCNc1ccccc1CC 34a_100000212081_100000718602 [0,2,0,0,0,0|2,0,0]=4 40500 B14R1.476 CCCCCNc1ccccc1CC 7a_100000212081_100000210326 [0,2,0,0,0,0|2,0,0]=4 40501 B14R1.476 CCCCCNc1ccccc1CO 34a_100000212039_100000718602 [0,2,0,0,0,0|2,0,0]=4 40502 B14R1.476 CCCCCNc1ccccc1OC 34a_100000210025_100000718602 [0,2,0,0,0,0|2,0,0]=4 40503 B14R1.476 CCCCCNc1ccccc1SC 34a_100000211160_100000718602 [0,2,0,0,0,0|2,0,0]=4 40504 B14R1.476 CCCCCOc1ccccc1C#N 34a_100000211048_100000718602 [0,2,0,0,0,0|2,0,0]=4 40505 B14R1.476 CCCCCOc1ccccc1C#N 7a_100000211048_100000210326 [0,2,0,0,0,0|2,0,0]=4 40506 B14R1.476 CCCCCOc1ccccc1CC 34a_100000210936_100000718602 [0,2,0,0,0,0|2,0,0]=4 40507 B14R1.476 CCCCCOc1ccccc1CC 7a_100000210936_100000210326 [0,2,0,0,0,0|2,0,0]=4 40508 B14R1.476 CCCCCOc1ccccc1CN 34a_100000185550_100000718602 [0,2,0,0,0,0|2,0,0]=4 40509 B14R1.476 CCCCCOc1ccccc1CO 34a_100011216872_100000718602 [0,2,0,0,0,0|2,0,0]=4 40510 B14R1.476 CCCCCOc1ccccc1NC 34a_100000033821_100000718602 [0,2,0,0,0,0|2,0,0]=4 40511 B14R1.476 CCCCCOc1ccccc1OC 34a_100000210385_100000718602 [0,2,0,0,0,0|2,0,0]=4 40512 B14R1.476 CCCCCOc1ccccc1SC 34a_100011216402_100000718602 [0,2,0,0,0,0|2,0,0]=4 40513 B14R1.476 CCCCCSc1ccccc1C#N 62a_100000210326_100000188569 [0,2,0,0,0,0|2,0,0]=4 40514 B14R1.476 CCCCCSc1ccccc1C=O 62a_100000210073_100000210326 [0,2,0,0,0,0|2,0,0]=4 40515 B14R1.476 CCCCCSc1ccccc1C=O 62a_100000210326_100000210073 [0,2,0,0,0,0|2,0,0]=4 40516 B14R1.476 CCCCCSc1ccccc1CC 62a_100000210326_100011215823 [0,2,0,0,0,0|2,0,0]=4 40517 B14R1.476 CCCCCSc1ccccc1CC 62a_100011215823_100000210326 [0,2,0,0,0,0|2,0,0]=4 40518 B14R1.476 CCCCCSc1ccccc1CN 62a_100000210326_100000689332 [0,2,0,0,0,0|2,0,0]=4 40519 B14R1.476 CCCCCSc1ccccc1CN 62a_100000689332_100000210326 [0,2,0,0,0,0|2,0,0]=4 40520 B14R1.476 CCCCCSc1ccccc1CO 62a_100000187465_100000210326 [0,2,0,0,0,0|2,0,0]=4 40521 B14R1.476 CCCCCSc1ccccc1CO 62a_100000210326_100000187465 [0,2,0,0,0,0|2,0,0]=4 40522 B14R1.476 CCCCCSc1ccccc1NC 62a_100000210326_100020606079 [0,2,0,0,0,0|2,0,0]=4 40523 B14R1.476 CCCCCSc1ccccc1NC 62a_100020606079_100000210326 [0,2,0,0,0,0|2,0,0]=4 40524 B14R1.476 CCCCCSc1ccccc1NN 62a_100000210326_100000241748 [0,2,0,0,0,0|2,0,0]=4 40525 B14R1.476 CCCCCSc1ccccc1NN 62a_100000241748_100000210326 [0,2,0,0,0,0|2,0,0]=4 40526 B14R1.476 CCCCCSc1ccccc1OC 62a_100000210326_100000210334 [0,2,0,0,0,0|2,0,0]=4 40527 B14R1.476 CCCCCSc1ccccc1OC 62a_100000210334_100000210326 [0,2,0,0,0,0|2,0,0]=4 40528 B14R1.476 CCCCCSc1ccccc1SC 62a_100000210326_100011217816 [0,2,0,0,0,0|2,0,0]=4 40529 B14R1.476 CCCCCSc1ccccc1SC 62a_100011217816_100000210326 [0,2,0,0,0,0|2,0,0]=4 40530 B14R1.476 CCCCNCc1ccccc1C#N 2230a_100000102301_100000181865 [0,2,0,0,0,0|2,0,0]=4 40531 B14R1.476 CCCCNCc1ccccc1C#N 34a_100016989011_100000210210 [0,2,0,0,0,0|2,0,0]=4 40532 B14R1.476 CCCCNCc1ccccc1C#N 7a_106832991798_100000181865 [0,2,0,0,0,0|2,0,0]=4 40533 B14R1.476 CCCCNCc1ccccc1C=O 2230a_100000102301_200009853537 [0,2,0,0,0,0|2,0,0]=4 40534 B14R1.476 CCCCNCc1ccccc1C=O 7a_106832991798_200009853537 [0,2,0,0,0,0|2,0,0]=4 40535 B14R1.476 CCCCNCc1ccccc1CC 207a_100000102301_100011219594 [0,2,0,0,0,0|2,0,0]=4 40536 B14R1.476 CCCCNCc1ccccc1CC 270004a_100000102301_100011219594 [0,2,0,0,0,0|2,0,0]=4 40537 B14R1.476 CCCCNCc1ccccc1CO 2230a_100000102301_100009816955 [0,2,0,0,0,0|2,0,0]=4 40538 B14R1.476 CCCCNCc1ccccc1CO 7a_106832991798_100009816955 [0,2,0,0,0,0|2,0,0]=4 40539 B14R1.476 CCCCNCc1ccccc1OC 207a_100000102301_100000169842 [0,2,0,0,0,0|2,0,0]=4 40540 B14R1.476 CCCCNCc1ccccc1OC 2230a_100000102301_100000210004 [0,2,0,0,0,0|2,0,0]=4 40541 B14R1.476 CCCCNCc1ccccc1OC 270004a_100000102301_100000169842 [0,2,0,0,0,0|2,0,0]=4 40542 B14R1.476 CCCCNCc1ccccc1OC 34a_100000188900_100000210210 [0,2,0,0,0,0|2,0,0]=4 40543 B14R1.476 CCCCNCc1ccccc1OC 7a_106832991798_100000210004 [0,2,0,0,0,0|2,0,0]=4 40544 B14R1.476 CCCCNCc1ccccc1SC 207a_100000102301_100011217347 [0,2,0,0,0,0|2,0,0]=4 40545 B14R1.476 CCCCNCc1ccccc1SC 2230a_100000102301_100000699184 [0,2,0,0,0,0|2,0,0]=4 40546 B14R1.476 CCCCNCc1ccccc1SC 270004a_100000102301_100011217347 [0,2,0,0,0,0|2,0,0]=4 40547 B14R1.476 CCCCNCc1ccccc1SC 34a_102495365025_100000210210 [0,2,0,0,0,0|2,0,0]=4 40548 B14R1.476 CCCCNCc1ccccc1SC 7a_106832991798_100000699184 [0,2,0,0,0,0|2,0,0]=4 40549 B14R1.476 CCCCOCc1ccccc1C#N 34a_100000210227_100000181865 [0,2,0,0,0,0|2,0,0]=4 40550 B14R1.476 CCCCOCc1ccccc1C#N 34a_200011269968_100000210210 [0,2,0,0,0,0|2,0,0]=4 40551 B14R1.476 CCCCOCc1ccccc1C#N 7a_100000210227_100000181865 [0,2,0,0,0,0|2,0,0]=4 40552 B14R1.476 CCCCOCc1ccccc1C#N 7a_200011269968_100000210211 [0,2,0,0,0,0|2,0,0]=4 40553 B14R1.476 CCCCOCc1ccccc1C=O 34a_100000210227_200009853537 [0,2,0,0,0,0|2,0,0]=4 40554 B14R1.476 CCCCOCc1ccccc1C=O 7a_100000210227_200009853537 [0,2,0,0,0,0|2,0,0]=4 40555 B14R1.476 CCCCOCc1ccccc1CBr 34a_100009816955_100000210210 [0,2,0,0,0,0|2,0,0]=4 40556 B14R1.476 CCCCOCc1ccccc1CBr 7a_100009816955_100000210211 [0,2,0,0,0,0|2,0,0]=4 40557 B14R1.476 CCCCOCc1ccccc1CC 34a_100011663872_100000210210 [0,2,0,0,0,0|2,0,0]=4 40558 B14R1.476 CCCCOCc1ccccc1CC 7a_100011663872_100000210211 [0,2,0,0,0,0|2,0,0]=4 40559 B14R1.476 CCCCOCc1ccccc1CN 34a_100000743596_100000210210 [0,2,0,0,0,0|2,0,0]=4 40560 B14R1.476 CCCCOCc1ccccc1CO 34a_100000210227_100009816955 [0,2,0,0,0,0|2,0,0]=4 40561 B14R1.476 CCCCOCc1ccccc1CO 7a_100000210227_100009816955 [0,2,0,0,0,0|2,0,0]=4 40562 B14R1.476 CCCCOCc1ccccc1OC 34a_100000210227_100000210004 [0,2,0,0,0,0|2,0,0]=4 40563 B14R1.476 CCCCOCc1ccccc1OC 34a_100000211301_100000210210 [0,2,0,0,0,0|2,0,0]=4 40564 B14R1.476 CCCCOCc1ccccc1OC 7a_100000210227_100000210004 [0,2,0,0,0,0|2,0,0]=4 40565 B14R1.476 CCCCOCc1ccccc1SC 34a_100000210227_100000699184 [0,2,0,0,0,0|2,0,0]=4 40566 B14R1.476 CCCCOCc1ccccc1SC 34a_100000699167_100000210210 [0,2,0,0,0,0|2,0,0]=4 40567 B14R1.476 CCCCOCc1ccccc1SC 7a_100000210227_100000699184 [0,2,0,0,0,0|2,0,0]=4 40568 B14R1.476 CCCCSCc1ccccc1C#N 62a_100000186380_100000210210 [0,2,0,0,0,0|2,0,0]=4 40569 B14R1.476 CCCCSCc1ccccc1C#N 62a_100000210211_100000181865 [0,2,0,0,0,0|2,0,0]=4 40570 B14R1.476 CCCCSCc1ccccc1C=O 62a_100000210211_200009853537 [0,2,0,0,0,0|2,0,0]=4 40571 B14R1.476 CCCCSCc1ccccc1C=O 62a_200009853537_100000210210 [0,2,0,0,0,0|2,0,0]=4 40572 B14R1.476 CCCCSCc1ccccc1CO 62a_100000210211_100009816955 [0,2,0,0,0,0|2,0,0]=4 40573 B14R1.476 CCCCSCc1ccccc1CO 62a_100009816955_100000210210 [0,2,0,0,0,0|2,0,0]=4 40574 B14R1.476 CCCCSCc1ccccc1OC 62a_100000210004_100000210210 [0,2,0,0,0,0|2,0,0]=4 40575 B14R1.476 CCCCSCc1ccccc1OC 62a_100000210211_100000210004 [0,2,0,0,0,0|2,0,0]=4 40576 B14R1.476 CCCCSCc1ccccc1SC 62a_100000210211_100000699184 [0,2,0,0,0,0|2,0,0]=4 40577 B14R1.476 CCCCSCc1ccccc1SC 62a_100000699184_100000210210 [0,2,0,0,0,0|2,0,0]=4 40578 B14R1.476 CCCCSCc1ccccc1SC 62a_200000210301_200011870348 [0,2,0,0,0,0|2,0,0]=4 40579 B14R1.476 CCCCSCc1ccccc1SC 62a_200011870348_200000210301 [0,2,0,0,0,0|2,0,0]=4 40580 B14R1.476 CCCCSCc1ccccc1S[13CH3] 62a_200011870348_200025704644 [0,2,0,0,0,0|2,0,0]=4 40581 B14R1.476 CCCCSCc1ccccc1S[13CH3] 62a_200025704644_200011870348 [0,2,0,0,0,0|2,0,0]=4 40582 B14R1.476 CCCNCCc1ccccc1CC 2230a_100011663701_100000210303 [0,2,0,0,0,0|2,0,0]=4 40583 B14R1.476 CCCNCCc1ccccc1CC 34a_100011663701_100000210303 [0,2,0,0,0,0|2,0,0]=4 40584 B14R1.476 CCCNCCc1ccccc1OC 2230a_100000211851_100000210303 [0,2,0,0,0,0|2,0,0]=4 40585 B14R1.476 CCCNCCc1ccccc1OC 270004a_100020643023_100011713418 [0,2,0,0,0,0|2,0,0]=4 40586 B14R1.476 CCCNCCc1ccccc1OC 34a_100000211851_100000210303 [0,2,0,0,0,0|2,0,0]=4 40587 B14R1.476 CCCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000210303 [0,2,0,0,0,0|2,0,0]=4 40588 B14R1.476 CCCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000210303 [0,2,0,0,0,0|2,0,0]=4 40589 B14R1.476 CCCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000210303 [0,2,0,0,0,0|2,0,0]=4 40590 B14R1.476 CCCOCCc1ccccc1C#N 34a_100000210258_200013032965 [0,2,0,0,0,0|2,0,0]=4 40591 B14R1.476 CCCOCCc1ccccc1C=O 34a_100000210258_100010186698 [0,2,0,0,0,0|2,0,0]=4 40592 B14R1.476 CCCOCCc1ccccc1OC 34a_100000210258_100011713687 [0,2,0,0,0,0|2,0,0]=4 40593 B14R1.476 CCCOCCc1ccccc1OC 34a_100011218620_100000210303 [0,2,0,0,0,0|2,0,0]=4 40594 B14R1.476 CCCOCCc1ccccc1OC 7a_100011218620_100000210303 [0,2,0,0,0,0|2,0,0]=4 40595 B14R1.476 CCCSCCc1ccccc1C#N 62a_100000210303_200013032965 [0,2,0,0,0,0|2,0,0]=4 40596 B14R1.476 CCCSCCc1ccccc1C=O 62a_100000210303_100010186698 [0,2,0,0,0,0|2,0,0]=4 40597 B14R1.476 CCCSCCc1ccccc1C=O 62a_100010186698_100000210303 [0,2,0,0,0,0|2,0,0]=4 40598 B14R1.476 CCCSCCc1ccccc1OC 62a_100000210303_100011713687 [0,2,0,0,0,0|2,0,0]=4 40599 B14R1.476 CCCSCCc1ccccc1OC 62a_100011713687_100000210303 [0,2,0,0,0,0|2,0,0]=4 40600 B14R1.476 CCNCCCc1ccccc1OC 270004a_100015525214_100011713476 [0,2,0,0,0,0|2,0,0]=4 40601 B14R1.476 CCOCCCc1ccccc1OC 34a_100011709264_100000210202 [0,2,0,0,0,0|2,0,0]=4 40602 B14R1.476 CCOCCCc1ccccc1OC 7a_100011709264_100000210202 [0,2,0,0,0,0|2,0,0]=4 40603 B14R1.476 CCc1ccccc1CCNCCF 2230a_100011663701_100011217306 [0,2,0,0,0,0|2,0,0]=4 40604 B14R1.476 CCc1ccccc1CCNCCF 34a_100011663701_100011217306 [0,2,0,0,0,0|2,0,0]=4 40605 B14R1.476 CCc1ccccc1CCNCCO 2230a_100011663701_100000211926 [0,2,0,0,0,0|1,0,0]=3 40606 B14R1.476 CCc1ccccc1CCNCCO 34a_100011663701_100000211926 [0,2,0,0,0,0|1,0,0]=3 40607 B14R1.476 CCc1ccccc1CNCCCF 207a_100015189416_100011219594 [0,2,0,0,0,0|2,0,0]=4 40608 B14R1.476 CCc1ccccc1CNCCCF 270004a_100015189416_100011219594 [0,2,0,0,0,0|2,0,0]=4 40609 B14R1.476 CCc1ccccc1CNCCCO 207a_100000182051_100011219594 [0,2,0,0,0,0|1,0,0]=3 40610 B14R1.476 CCc1ccccc1CNCCCO 270004a_100000182051_100011219594 [0,2,0,0,0,0|1,0,0]=3 40611 B14R1.476 CCc1ccccc1COCCCF 34a_100011663872_100011934791 [0,2,0,0,0,0|2,0,0]=4 40612 B14R1.476 CCc1ccccc1COCCCF 7a_100011663872_100011934791 [0,2,0,0,0,0|2,0,0]=4 40613 B14R1.476 CCc1ccccc1COCCCO 34a_100011663872_100000230001 [0,2,0,0,0,0|1,0,0]=3 40614 B14R1.476 CCc1ccccc1COCCCO 7a_100011663872_100011215043 [0,2,0,0,0,0|1,0,0]=3 40615 B14R1.476 CCc1ccccc1NCCCCF 2230a_100000212081_100000729493 [0,2,0,0,0,0|2,0,0]=4 40616 B14R1.476 CCc1ccccc1NCCCCF 34a_100000212081_100000729493 [0,2,0,0,0,0|2,0,0]=4 40617 B14R1.476 CCc1ccccc1NCCCCF 7a_100000212081_100000729493 [0,2,0,0,0,0|2,0,0]=4 40618 B14R1.476 CCc1ccccc1NCCCCO 2230a_100000212081_100000210776 [0,2,0,0,0,0|1,0,0]=3 40619 B14R1.476 CCc1ccccc1NCCCCO 34a_100000212081_100011216708 [0,2,0,0,0,0|1,0,0]=3 40620 B14R1.476 CCc1ccccc1NCCCCO 7a_100000212081_100000210776 [0,2,0,0,0,0|1,0,0]=3 40621 B14R1.476 CCc1ccccc1OCCCCF 34a_100000210936_100000729493 [0,2,0,0,0,0|2,0,0]=4 40622 B14R1.476 CCc1ccccc1OCCCCF 7a_100000210936_100000729493 [0,2,0,0,0,0|2,0,0]=4 40623 B14R1.476 CCc1ccccc1OCCCCO 34a_100000210936_100011216708 [0,2,0,0,0,0|1,0,0]=3 40624 B14R1.476 CCc1ccccc1OCCCCO 7a_100000210936_100000210776 [0,2,0,0,0,0|1,0,0]=3 40625 B14R1.476 CCc1ccccc1SCCCCF 62a_100000729493_100011215823 [0,2,0,0,0,0|2,0,0]=4 40626 B14R1.476 CCc1ccccc1SCCCCF 62a_100011215823_100000729493 [0,2,0,0,0,0|2,0,0]=4 40627 B14R1.476 CCc1ccccc1SCCCCO 62a_100000210776_100011215823 [0,2,0,0,0,0|1,0,0]=3 40628 B14R1.476 CCc1ccccc1SCCCCO 62a_100011215823_100000210776 [0,2,0,0,0,0|1,0,0]=3 40629 B14R1.476 CCc1ccncc1SCCCCO 62a_100000210776_100009819861 [0,2,0,0,0,0|2,0,0]=4 40630 B14R1.476 CCc1ccncc1SCCCCO 62a_100009819861_100000210776 [0,2,0,0,0,0|2,0,0]=4 40631 B14R1.476 CCc1cnccc1SCCCCO 62a_100000210776_100025704421 [0,2,0,0,0,0|2,0,0]=4 40632 B14R1.476 CCc1cnccc1SCCCCO 62a_100025704421_100000210776 [0,2,0,0,0,0|2,0,0]=4 40633 B14R1.476 CCc1ncccc1SCCCCO 62a_100000210776_100009877225 [0,2,0,0,0,0|2,0,0]=4 40634 B14R1.476 CCc1ncccc1SCCCCO 62a_100009877225_100000210776 [0,2,0,0,0,0|2,0,0]=4 40635 B14R1.476 CNc1ccccc1OCCCCF 34a_100000033821_100000729493 [0,2,0,0,0,0|2,0,0]=4 40636 B14R1.476 CNc1ccccc1OCCCCO 34a_100000033821_100011216708 [0,2,0,0,0,0|1,0,0]=3 40637 B14R1.476 CNc1ccccc1SCCCCF 62a_100000729493_100020606079 [0,2,0,0,0,0|2,0,0]=4 40638 B14R1.476 CNc1ccccc1SCCCCF 62a_100020606079_100000729493 [0,2,0,0,0,0|2,0,0]=4 40639 B14R1.476 CNc1ccccc1SCCCCO 62a_100000210776_100020606079 [0,2,0,0,0,0|1,0,0]=3 40640 B14R1.476 CNc1ccccc1SCCCCO 62a_100020606079_100000210776 [0,2,0,0,0,0|1,0,0]=3 40641 B14R1.476 CNc1cccnc1SCCCCO 62a_100000210776_200011806188 [0,2,0,0,0,0|2,0,0]=4 40642 B14R1.476 CNc1ccncc1SCCCCO 62a_100000210776_100010069531 [0,2,0,0,0,0|2,0,0]=4 40643 B14R1.476 CNc1ccncc1SCCCCO 62a_100010069531_100000210776 [0,2,0,0,0,0|2,0,0]=4 40644 B14R1.476 CNc1ncccc1SCCCCO 62a_100000210776_100000700899 [0,2,0,0,0,0|2,0,0]=4 40645 B14R1.476 CNc1ncccc1SCCCCO 62a_100000700899_100000210776 [0,2,0,0,0,0|2,0,0]=4 40646 B14R1.476 COc1ccccc1CCCOCF 34a_100011709264_100015361967 [0,2,0,0,0,0|2,0,0]=4 40647 B14R1.476 COc1ccccc1CCCOCF 7a_100011709264_100015361967 [0,2,0,0,0,0|2,0,0]=4 40648 B14R1.476 COc1ccccc1CCNCCF 2230a_100000211851_100011217306 [0,2,0,0,0,0|2,0,0]=4 40649 B14R1.476 COc1ccccc1CCNCCF 34a_100000211851_100011217306 [0,2,0,0,0,0|2,0,0]=4 40650 B14R1.476 COc1ccccc1CCNCCF 34a_100000724931_100011713687 [0,2,0,0,0,0|2,0,0]=4 40651 B14R1.476 COc1ccccc1CCNCCO 2230a_100000211851_100000211926 [0,2,0,0,0,0|1,0,0]=3 40652 B14R1.476 COc1ccccc1CCNCCO 2230a_100016997473_100011713687 [0,2,0,0,0,0|1,0,0]=3 40653 B14R1.476 COc1ccccc1CCNCCO 270004a_100000210304_100011713418 [0,2,0,0,0,0|1,0,0]=3 40654 B14R1.476 COc1ccccc1CCNCCO 34a_100000211851_100000211926 [0,2,0,0,0,0|1,0,0]=3 40655 B14R1.476 COc1ccccc1CCNCCO 34a_100016990907_100011713687 [0,2,0,0,0,0|1,0,0]=3 40656 B14R1.476 COc1ccccc1CCOCCBr 34a_100000211926_100011713687 [0,2,0,0,0,0|2,0,0]=4 40657 B14R1.476 COc1ccccc1CCOCCF 34a_100011218620_100011217306 [0,2,0,0,0,0|2,0,0]=4 40658 B14R1.476 COc1ccccc1CCOCCF 7a_100011218620_100011217306 [0,2,0,0,0,0|2,0,0]=4 40659 B14R1.476 COc1ccccc1CCOCCN 34a_100000210304_100011713687 [0,2,0,0,0,0|2,0,0]=4 40660 B14R1.476 COc1ccccc1CCOCCO 34a_100011218620_100000211926 [0,2,0,0,0,0|1,0,0]=3 40661 B14R1.476 COc1ccccc1CCOCCO 7a_100011218620_100000211926 [0,2,0,0,0,0|1,0,0]=3 40662 B14R1.476 COc1ccccc1CCSCCF 62a_100011217306_100011713687 [0,2,0,0,0,0|2,0,0]=4 40663 B14R1.476 COc1ccccc1CCSCCF 62a_100011713687_100011217306 [0,2,0,0,0,0|2,0,0]=4 40664 B14R1.476 COc1ccccc1CCSCCO 62a_100000211926_100011713687 [0,2,0,0,0,0|1,0,0]=3 40665 B14R1.476 COc1ccccc1CCSCCO 62a_100011713687_100000211926 [0,2,0,0,0,0|1,0,0]=3 40666 B14R1.476 COc1ccccc1CNCCCF 207a_100015189416_100000169842 [0,2,0,0,0,0|2,0,0]=4 40667 B14R1.476 COc1ccccc1CNCCCF 2230a_100015189416_100000210004 [0,2,0,0,0,0|2,0,0]=4 40668 B14R1.476 COc1ccccc1CNCCCF 270004a_100015189416_100000169842 [0,2,0,0,0,0|2,0,0]=4 40669 B14R1.476 COc1ccccc1CNCCCF 34a_100000188900_100011934791 [0,2,0,0,0,0|2,0,0]=4 40670 B14R1.476 COc1ccccc1CNCCCF 34a_100015189416_100000210004 [0,2,0,0,0,0|2,0,0]=4 40671 B14R1.476 COc1ccccc1CNCCCO 207a_100000182051_100000169842 [0,2,0,0,0,0|1,0,0]=3 40672 B14R1.476 COc1ccccc1CNCCCO 270004a_100000182051_100000169842 [0,2,0,0,0,0|1,0,0]=3 40673 B14R1.476 COc1ccccc1CNCCCO 34a_100000188900_100000230001 [0,2,0,0,0,0|1,0,0]=3 40674 B14R1.476 COc1ccccc1COCCCBr 34a_100011217188_100000210004 [0,2,0,0,0,0|2,0,0]=4 40675 B14R1.476 COc1ccccc1COCCCCl 34a_100000230001_100000210004 [0,2,0,0,0,0|2,0,0]=4 40676 B14R1.476 COc1ccccc1COCCCF 34a_100000211301_100011934791 [0,2,0,0,0,0|2,0,0]=4 40677 B14R1.476 COc1ccccc1COCCCF 34a_100000759539_100000210004 [0,2,0,0,0,0|2,0,0]=4 40678 B14R1.476 COc1ccccc1COCCCN 34a_100000182051_100000210004 [0,2,0,0,0,0|2,0,0]=4 40679 B14R1.476 COc1ccccc1COCCCO 34a_100000211301_100000230001 [0,2,0,0,0,0|1,0,0]=3 40680 B14R1.476 COc1ccccc1CSCCCF 62a_100000210004_100011934791 [0,2,0,0,0,0|2,0,0]=4 40681 B14R1.476 COc1ccccc1CSCCCF 62a_100011934791_100000210004 [0,2,0,0,0,0|2,0,0]=4 40682 B14R1.476 COc1ccccc1CSCCCO 62a_100000210004_100011215043 [0,2,0,0,0,0|1,0,0]=3 40683 B14R1.476 COc1ccccc1CSCCCO 62a_100011215043_100000210004 [0,2,0,0,0,0|1,0,0]=3 40684 B14R1.476 COc1ccccc1NCCCCF 34a_100000210025_100000729493 [0,2,0,0,0,0|2,0,0]=4 40685 B14R1.476 COc1ccccc1NCCCCO 34a_100000210025_100011216708 [0,2,0,0,0,0|1,0,0]=3 40686 B14R1.476 COc1ccccc1OCCCCF 34a_100000210385_100000729493 [0,2,0,0,0,0|2,0,0]=4 40687 B14R1.476 COc1ccccc1OCCCCO 34a_100000210385_100011216708 [0,2,0,0,0,0|1,0,0]=3 40688 B14R1.476 COc1ccccc1SCCCCF 62a_100000210334_100000729493 [0,2,0,0,0,0|2,0,0]=4 40689 B14R1.476 COc1ccccc1SCCCCF 62a_100000729493_100000210334 [0,2,0,0,0,0|2,0,0]=4 40690 B14R1.476 COc1ccccc1SCCCCO 62a_100000210334_100000210776 [0,2,0,0,0,0|1,0,0]=3 40691 B14R1.476 COc1ccccc1SCCCCO 62a_100000210776_100000210334 [0,2,0,0,0,0|1,0,0]=3 40692 B14R1.476 COc1cccnc1CNCCCO 207a_100000182051_100011912573 [0,2,0,0,0,0|2,0,0]=4 40693 B14R1.476 COc1cccnc1CNCCCO 270004a_100000182051_100011912573 [0,2,0,0,0,0|2,0,0]=4 40694 B14R1.476 COc1cccnc1COCCCO 34a_100011998681_100000230001 [0,2,0,0,0,0|2,0,0]=4 40695 B14R1.476 COc1cccnc1OCCCCO 34a_100025773188_100011216708 [0,2,0,0,0,0|2,0,0]=4 40696 B14R1.476 COc1cccnc1SCCCCO 62a_100000210776_100000690851 [0,2,0,0,0,0|2,0,0]=4 40697 B14R1.476 COc1cccnc1SCCCCO 62a_100000767102_100000210776 [0,2,0,0,0,0|2,0,0]=4 40698 B14R1.476 COc1ccncc1CNCCCO 207a_100000182051_200011997045 [0,2,0,0,0,0|2,0,0]=4 40699 B14R1.476 COc1ccncc1CNCCCO 270004a_100000182051_200011997045 [0,2,0,0,0,0|2,0,0]=4 40700 B14R1.476 COc1ccncc1OCCCCO 34a_100000101186_100011216708 [0,2,0,0,0,0|2,0,0]=4 40701 B14R1.476 COc1ccncc1SCCCCO 62a_100000210776_100011997281 [0,2,0,0,0,0|2,0,0]=4 40702 B14R1.476 COc1ccncc1SCCCCO 62a_100011997281_100000210776 [0,2,0,0,0,0|2,0,0]=4 40703 B14R1.476 COc1cnccc1CNCCCO 207a_100000182051_100011361505 [0,2,0,0,0,0|2,0,0]=4 40704 B14R1.476 COc1cnccc1CNCCCO 270004a_100000182051_100011361505 [0,2,0,0,0,0|2,0,0]=4 40705 B14R1.476 COc1cnccc1CSCCCO 62a_100011215043_100020635607 [0,2,0,0,0,0|2,0,0]=4 40706 B14R1.476 COc1cnccc1CSCCCO 62a_100020635607_100011215043 [0,2,0,0,0,0|2,0,0]=4 40707 B14R1.476 COc1cnccc1SCCCCO 62a_100000210776_100016988167 [0,2,0,0,0,0|2,0,0]=4 40708 B14R1.476 COc1cnccc1SCCCCO 62a_100016988167_100000210776 [0,2,0,0,0,0|2,0,0]=4 40709 B14R1.476 COc1ncccc1CNCCCO 207a_100000182051_100011290804 [0,2,0,0,0,0|2,0,0]=4 40710 B14R1.476 COc1ncccc1CNCCCO 270004a_100000182051_100011290804 [0,2,0,0,0,0|2,0,0]=4 40711 B14R1.476 COc1ncccc1COCCCO 34a_100000717863_100000230001 [0,2,0,0,0,0|2,0,0]=4 40712 B14R1.476 COc1ncccc1CSCCCO 62a_100011215043_100020631285 [0,2,0,0,0,0|2,0,0]=4 40713 B14R1.476 COc1ncccc1CSCCCO 62a_100020631285_100011215043 [0,2,0,0,0,0|2,0,0]=4 40714 B14R1.476 COc1ncccc1OCCCCO 34a_100000698397_100011216708 [0,2,0,0,0,0|2,0,0]=4 40715 B14R1.476 COc1ncccc1OCCCCO 7a_100000698397_100000210776 [0,2,0,0,0,0|2,0,0]=4 40716 B14R1.476 COc1ncccc1SCCCCO 62a_100000047025_100000210776 [0,2,0,0,0,0|2,0,0]=4 40717 B14R1.476 COc1ncccc1SCCCCO 62a_100000210776_100000047025 [0,2,0,0,0,0|2,0,0]=4 40718 B14R1.476 CSc1ccccc1CNCCCF 207a_100015189416_100011217347 [0,2,0,0,0,0|2,0,0]=4 40719 B14R1.476 CSc1ccccc1CNCCCF 2230a_100015189416_100000699184 [0,2,0,0,0,0|2,0,0]=4 40720 B14R1.476 CSc1ccccc1CNCCCF 270004a_100015189416_100011217347 [0,2,0,0,0,0|2,0,0]=4 40721 B14R1.476 CSc1ccccc1CNCCCF 34a_100015189416_100000699184 [0,2,0,0,0,0|2,0,0]=4 40722 B14R1.476 CSc1ccccc1CNCCCF 34a_102495365025_100011934791 [0,2,0,0,0,0|2,0,0]=4 40723 B14R1.476 CSc1ccccc1CNCCCO 207a_100000182051_100011217347 [0,2,0,0,0,0|1,0,0]=3 40724 B14R1.476 CSc1ccccc1CNCCCO 270004a_100000182051_100011217347 [0,2,0,0,0,0|1,0,0]=3 40725 B14R1.476 CSc1ccccc1CNCCCO 34a_102495365025_100000230001 [0,2,0,0,0,0|1,0,0]=3 40726 B14R1.476 CSc1ccccc1COCCCBr 34a_100011217188_100000699184 [0,2,0,0,0,0|2,0,0]=4 40727 B14R1.476 CSc1ccccc1COCCCCl 34a_100000230001_100000699184 [0,2,0,0,0,0|2,0,0]=4 40728 B14R1.476 CSc1ccccc1COCCCF 34a_100000699167_100011934791 [0,2,0,0,0,0|2,0,0]=4 40729 B14R1.476 CSc1ccccc1COCCCF 34a_100000759539_100000699184 [0,2,0,0,0,0|2,0,0]=4 40730 B14R1.476 CSc1ccccc1COCCCN 34a_100000182051_100000699184 [0,2,0,0,0,0|2,0,0]=4 40731 B14R1.476 CSc1ccccc1COCCCO 34a_100000699167_100000230001 [0,2,0,0,0,0|1,0,0]=3 40732 B14R1.476 CSc1ccccc1CSCCCF 62a_100000699184_100011934791 [0,2,0,0,0,0|2,0,0]=4 40733 B14R1.476 CSc1ccccc1CSCCCF 62a_100011934791_100000699184 [0,2,0,0,0,0|2,0,0]=4 40734 B14R1.476 CSc1ccccc1CSCCCO 62a_100000699184_100011215043 [0,2,0,0,0,0|1,0,0]=3 40735 B14R1.476 CSc1ccccc1CSCCCO 62a_100011215043_100000699184 [0,2,0,0,0,0|1,0,0]=3 40736 B14R1.476 CSc1ccccc1NCCCCF 34a_100000211160_100000729493 [0,2,0,0,0,0|2,0,0]=4 40737 B14R1.476 CSc1ccccc1NCCCCO 34a_100000211160_100011216708 [0,2,0,0,0,0|1,0,0]=3 40738 B14R1.476 CSc1ccccc1OCCCCF 34a_100011216402_100000729493 [0,2,0,0,0,0|2,0,0]=4 40739 B14R1.476 CSc1ccccc1OCCCCO 34a_100011216402_100011216708 [0,2,0,0,0,0|1,0,0]=3 40740 B14R1.476 CSc1ccccc1SCCCCF 62a_100000729493_100011217816 [0,2,0,0,0,0|2,0,0]=4 40741 B14R1.476 CSc1ccccc1SCCCCF 62a_100011217816_100000729493 [0,2,0,0,0,0|2,0,0]=4 40742 B14R1.476 CSc1ccccc1SCCCCO 62a_100000210776_100011217816 [0,2,0,0,0,0|1,0,0]=3 40743 B14R1.476 CSc1ccccc1SCCCCO 62a_100011217816_100000210776 [0,2,0,0,0,0|1,0,0]=3 40744 B14R1.476 CSc1ncccc1SCCCCO 62a_100000210776_100011465278 [0,2,0,0,0,0|2,0,0]=4 40745 B14R1.476 CSc1ncccc1SCCCCO 62a_100011465278_100000210776 [0,2,0,0,0,0|2,0,0]=4 40746 B14R1.476 FCCCOCc1ccccc1CBr 34a_100009816955_100011934791 [0,2,0,0,0,0|2,0,0]=4 40747 B14R1.476 FCCCOCc1ccccc1CBr 7a_100009816955_100011934791 [0,2,0,0,0,0|2,0,0]=4 40748 B14R1.476 FCCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100011217306 [0,2,0,0,0,0|2,0,0]=4 40749 B14R1.476 FCCNCCc1ccccc1[Pd]Cl 34a_106741704370_100011217306 [0,2,0,0,0,0|2,0,0]=4 40750 B14R1.476 FCCNCCc1ccccc1[Pd]Cl 7a_106741704370_100011217306 [0,2,0,0,0,0|2,0,0]=4 40751 B14R1.476 N#Cc1ccccc1CCNCCF 34a_100000724931_200013032965 [0,2,0,0,0,0|2,0,0]=4 40752 B14R1.476 N#Cc1ccccc1CCNCCO 2230a_100016997473_200013032965 [0,2,0,0,0,0|1,0,0]=3 40753 B14R1.476 N#Cc1ccccc1CCNCCO 34a_100016990907_200013032965 [0,2,0,0,0,0|1,0,0]=3 40754 B14R1.476 N#Cc1ccccc1CCOCCBr 34a_100000211926_200013032965 [0,2,0,0,0,0|2,0,0]=4 40755 B14R1.476 N#Cc1ccccc1CCOCCN 34a_100000210304_200013032965 [0,2,0,0,0,0|2,0,0]=4 40756 B14R1.476 N#Cc1ccccc1CCSCCF 62a_100011217306_200013032965 [0,2,0,0,0,0|2,0,0]=4 40757 B14R1.476 N#Cc1ccccc1CCSCCO 62a_100000211926_200013032965 [0,2,0,0,0,0|1,0,0]=3 40758 B14R1.476 N#Cc1ccccc1CNCCCF 2230a_100015189416_100000181865 [0,2,0,0,0,0|2,0,0]=4 40759 B14R1.476 N#Cc1ccccc1CNCCCF 34a_100015189416_100000181865 [0,2,0,0,0,0|2,0,0]=4 40760 B14R1.476 N#Cc1ccccc1CNCCCF 34a_100016989011_100011934791 [0,2,0,0,0,0|2,0,0]=4 40761 B14R1.476 N#Cc1ccccc1CNCCCO 34a_100016989011_100000230001 [0,2,0,0,0,0|1,0,0]=3 40762 B14R1.476 N#Cc1ccccc1COCCCBr 34a_100011217188_100000181865 [0,2,0,0,0,0|2,0,0]=4 40763 B14R1.476 N#Cc1ccccc1COCCCCl 34a_100000230001_100000181865 [0,2,0,0,0,0|2,0,0]=4 40764 B14R1.476 N#Cc1ccccc1COCCCF 34a_100000759539_100000181865 [0,2,0,0,0,0|2,0,0]=4 40765 B14R1.476 N#Cc1ccccc1COCCCF 34a_200011269968_100011934791 [0,2,0,0,0,0|2,0,0]=4 40766 B14R1.476 N#Cc1ccccc1COCCCF 7a_200011269968_100011934791 [0,2,0,0,0,0|2,0,0]=4 40767 B14R1.476 N#Cc1ccccc1COCCCN 34a_100000182051_100000181865 [0,2,0,0,0,0|2,0,0]=4 40768 B14R1.476 N#Cc1ccccc1COCCCO 34a_200011269968_100000230001 [0,2,0,0,0,0|1,0,0]=3 40769 B14R1.476 N#Cc1ccccc1COCCCO 7a_200011269968_100011215043 [0,2,0,0,0,0|1,0,0]=3 40770 B14R1.476 N#Cc1ccccc1CSCCCF 62a_100000186380_100011934791 [0,2,0,0,0,0|2,0,0]=4 40771 B14R1.476 N#Cc1ccccc1CSCCCF 62a_100011934791_100000181865 [0,2,0,0,0,0|2,0,0]=4 40772 B14R1.476 N#Cc1ccccc1CSCCCO 62a_100000186380_100011215043 [0,2,0,0,0,0|1,0,0]=3 40773 B14R1.476 N#Cc1ccccc1CSCCCO 62a_100011215043_100000181865 [0,2,0,0,0,0|1,0,0]=3 40774 B14R1.476 N#Cc1ccccc1NCCCCF 34a_100000211148_100000729493 [0,2,0,0,0,0|2,0,0]=4 40775 B14R1.476 N#Cc1ccccc1NCCCCO 34a_100000211148_100011216708 [0,2,0,0,0,0|1,0,0]=3 40776 B14R1.476 N#Cc1ccccc1OCCCCF 34a_100000211048_100000729493 [0,2,0,0,0,0|2,0,0]=4 40777 B14R1.476 N#Cc1ccccc1OCCCCF 7a_100000211048_100000729493 [0,2,0,0,0,0|2,0,0]=4 40778 B14R1.476 N#Cc1ccccc1OCCCCO 34a_100000211048_100011216708 [0,2,0,0,0,0|1,0,0]=3 40779 B14R1.476 N#Cc1ccccc1OCCCCO 7a_100000211048_100000210776 [0,2,0,0,0,0|1,0,0]=3 40780 B14R1.476 N#Cc1ccccc1SCCCCF 62a_100000729493_100000188569 [0,2,0,0,0,0|2,0,0]=4 40781 B14R1.476 N#Cc1ccccc1SCCCCO 62a_100000210776_100000188569 [0,2,0,0,0,0|1,0,0]=3 40782 B14R1.476 N#Cc1cccnc1CSCCCO 62a_100011215043_100000099805 [0,2,0,0,0,0|2,0,0]=4 40783 B14R1.476 N#Cc1cccnc1NCCCCO 27a_100000750430_100000211984 [0,2,0,0,0,0|2,0,0]=4 40784 B14R1.476 N#Cc1cccnc1SCCCCO 62a_100000210776_100000211984 [0,2,0,0,0,0|2,0,0]=4 40785 B14R1.476 N#Cc1ccncc1NCCCCO 27a_100000750430_100000684818 [0,2,0,0,0,0|2,0,0]=4 40786 B14R1.476 N#Cc1ccncc1OCCCCO 7a_100012181322_100000210776 [0,2,0,0,0,0|2,0,0]=4 40787 B14R1.476 N#Cc1ccncc1SCCCCO 62a_100000210776_100000684818 [0,2,0,0,0,0|2,0,0]=4 40788 B14R1.476 N#Cc1cnccc1NCCCCO 27a_100000750430_100000687039 [0,2,0,0,0,0|2,0,0]=4 40789 B14R1.476 N#Cc1cnccc1SCCCCO 62a_100000210776_100000687039 [0,2,0,0,0,0|2,0,0]=4 40790 B14R1.476 N#Cc1ncccc1CSCCCO 62a_100011215043_100011768898 [0,2,0,0,0,0|2,0,0]=4 40791 B14R1.476 N#Cc1ncccc1OCCCCO 34a_100000722750_100011216708 [0,2,0,0,0,0|2,0,0]=4 40792 B14R1.476 N#Cc1ncccc1OCCCCO 7a_100000722750_100000210776 [0,2,0,0,0,0|2,0,0]=4 40793 B14R1.476 N#Cc1ncccc1SCCCCO 62a_100000210776_100000685805 [0,2,0,0,0,0|2,0,0]=4 40794 B14R1.476 NCCCOCc1ccccc1C=O 34a_100000182051_200009853537 [0,2,0,0,0,0|2,0,0]=4 40795 B14R1.476 NCCCOCc1ccccc1CO 34a_100000182051_100009816955 [0,2,0,0,0,0|2,0,0]=4 40796 B14R1.476 NCCOCCc1ccccc1C=O 34a_100000210304_100010186698 [0,2,0,0,0,0|2,0,0]=4 40797 B14R1.476 NCc1ccccc1COCCCF 34a_100000743596_100011934791 [0,2,0,0,0,0|2,0,0]=4 40798 B14R1.476 NCc1ccccc1COCCCO 34a_100000743596_100000230001 [0,2,0,0,0,0|1,0,0]=3 40799 B14R1.476 NCc1ccccc1OCCCCF 34a_100000185550_100000729493 [0,2,0,0,0,0|2,0,0]=4 40800 B14R1.476 NCc1ccccc1OCCCCO 34a_100000185550_100011216708 [0,2,0,0,0,0|1,0,0]=3 40801 B14R1.476 NCc1ccccc1SCCCCF 62a_100000689332_100000729493 [0,2,0,0,0,0|2,0,0]=4 40802 B14R1.476 NCc1ccccc1SCCCCF 62a_100000729493_100000689332 [0,2,0,0,0,0|2,0,0]=4 40803 B14R1.476 NCc1ccccc1SCCCCO 62a_100000210776_100000689332 [0,2,0,0,0,0|1,0,0]=3 40804 B14R1.476 NCc1ccccc1SCCCCO 62a_100000689332_100000210776 [0,2,0,0,0,0|1,0,0]=3 40805 B14R1.476 NCc1cccnc1SCCCCO 62a_100000210776_100015189234 [0,2,0,0,0,0|2,0,0]=4 40806 B14R1.476 NCc1cccnc1SCCCCO 62a_100015189234_100000210776 [0,2,0,0,0,0|2,0,0]=4 40807 B14R1.476 NCc1ccncc1SCCCCO 62a_100000210776_100020640021 [0,2,0,0,0,0|2,0,0]=4 40808 B14R1.476 NCc1ccncc1SCCCCO 62a_100020640021_100000210776 [0,2,0,0,0,0|2,0,0]=4 40809 B14R1.476 NCc1ncccc1SCCCCO 62a_100000210776_100020591323 [0,2,0,0,0,0|2,0,0]=4 40810 B14R1.476 NCc1ncccc1SCCCCO 62a_100020591323_100000210776 [0,2,0,0,0,0|2,0,0]=4 40811 B14R1.476 NNc1ccccc1SCCCCF 62a_100000241748_100000729493 [0,2,0,0,0,0|2,0,0]=4 40812 B14R1.476 NNc1ccccc1SCCCCF 62a_100000729493_100000241748 [0,2,0,0,0,0|2,0,0]=4 40813 B14R1.476 NNc1ccccc1SCCCCO 62a_100000210776_100000241748 [0,2,0,0,0,0|1,0,0]=3 40814 B14R1.476 NNc1ccccc1SCCCCO 62a_100000241748_100000210776 [0,2,0,0,0,0|1,0,0]=3 40815 B14R1.476 NNc1ccncc1SCCCCO 62a_100000210776_100013404636 [0,2,0,0,0,0|2,0,0]=4 40816 B14R1.476 NNc1ccncc1SCCCCO 62a_100013404636_100000210776 [0,2,0,0,0,0|2,0,0]=4 40817 B14R1.476 NNc1ncccc1SCCCCO 62a_100000210776_100011464834 [0,2,0,0,0,0|2,0,0]=4 40818 B14R1.476 NNc1ncccc1SCCCCO 62a_100011464834_100000210776 [0,2,0,0,0,0|2,0,0]=4 40819 B14R1.476 O=Cc1ccccc1CCNCCF 34a_100000724931_100010186698 [0,2,0,0,0,0|2,0,0]=4 40820 B14R1.476 O=Cc1ccccc1CCNCCO 2230a_100016997473_100010186698 [0,2,0,0,0,0|1,0,0]=3 40821 B14R1.476 O=Cc1ccccc1CCNCCO 34a_100016990907_100010186698 [0,2,0,0,0,0|1,0,0]=3 40822 B14R1.476 O=Cc1ccccc1CCOCCBr 34a_100000211926_100010186698 [0,2,0,0,0,0|2,0,0]=4 40823 B14R1.476 O=Cc1ccccc1CCSCCF 62a_100010186698_100011217306 [0,2,0,0,0,0|2,0,0]=4 40824 B14R1.476 O=Cc1ccccc1CCSCCF 62a_100011217306_100010186698 [0,2,0,0,0,0|2,0,0]=4 40825 B14R1.476 O=Cc1ccccc1CCSCCO 62a_100000211926_100010186698 [0,2,0,0,0,0|1,0,0]=3 40826 B14R1.476 O=Cc1ccccc1CCSCCO 62a_100010186698_100000211926 [0,2,0,0,0,0|1,0,0]=3 40827 B14R1.476 O=Cc1ccccc1CNCCCF 2230a_100015189416_200009853537 [0,2,0,0,0,0|2,0,0]=4 40828 B14R1.476 O=Cc1ccccc1CNCCCF 34a_100015189416_200009853537 [0,2,0,0,0,0|2,0,0]=4 40829 B14R1.476 O=Cc1ccccc1COCCCBr 34a_100011217188_200009853537 [0,2,0,0,0,0|2,0,0]=4 40830 B14R1.476 O=Cc1ccccc1COCCCCl 34a_100000230001_200009853537 [0,2,0,0,0,0|2,0,0]=4 40831 B14R1.476 O=Cc1ccccc1COCCCF 34a_100000759539_200009853537 [0,2,0,0,0,0|2,0,0]=4 40832 B14R1.476 O=Cc1ccccc1CSCCCF 62a_100011934791_200009853537 [0,2,0,0,0,0|2,0,0]=4 40833 B14R1.476 O=Cc1ccccc1CSCCCF 62a_200009853537_100011934791 [0,2,0,0,0,0|2,0,0]=4 40834 B14R1.476 O=Cc1ccccc1CSCCCO 62a_100011215043_200009853537 [0,2,0,0,0,0|1,0,0]=3 40835 B14R1.476 O=Cc1ccccc1CSCCCO 62a_200009853537_100011215043 [0,2,0,0,0,0|1,0,0]=3 40836 B14R1.476 O=Cc1ccccc1SCCCCF 62a_100000210073_100000729493 [0,2,0,0,0,0|2,0,0]=4 40837 B14R1.476 O=Cc1ccccc1SCCCCF 62a_100000729493_100000210073 [0,2,0,0,0,0|2,0,0]=4 40838 B14R1.476 O=Cc1ccccc1SCCCCO 62a_100000210073_100000210776 [0,2,0,0,0,0|1,0,0]=3 40839 B14R1.476 O=Cc1ccccc1SCCCCO 62a_100000210776_100000210073 [0,2,0,0,0,0|1,0,0]=3 40840 B14R1.476 O=Cc1cccnc1SCCCCO 62a_100000210776_100009816751 [0,2,0,0,0,0|2,0,0]=4 40841 B14R1.476 O=Cc1cccnc1SCCCCO 62a_100009816751_100000210776 [0,2,0,0,0,0|2,0,0]=4 40842 B14R1.476 O=Cc1ccncc1SCCCCO 62a_100000210776_100011934409 [0,2,0,0,0,0|2,0,0]=4 40843 B14R1.476 O=Cc1ccncc1SCCCCO 62a_100011934409_100000210776 [0,2,0,0,0,0|2,0,0]=4 40844 B14R1.476 O=Cc1cnccc1SCCCCO 62a_100000050567_100000210776 [0,2,0,0,0,0|2,0,0]=4 40845 B14R1.476 O=Cc1cnccc1SCCCCO 62a_100000210776_100000050567 [0,2,0,0,0,0|2,0,0]=4 40846 B14R1.476 O=Cc1ncccc1SCCCCO 62a_100000210776_100011934733 [0,2,0,0,0,0|2,0,0]=4 40847 B14R1.476 O=Cc1ncccc1SCCCCO 62a_100011934733_100000210776 [0,2,0,0,0,0|2,0,0]=4 40848 B14R1.476 OCCCCNc1ccccc1CO 34a_100000212039_100011216708 [0,2,0,0,0,0|1,0,0]=3 40849 B14R1.476 OCCCCNc1ccncc1CO 27a_100000750430_100000117392 [0,2,0,0,0,0|2,0,0]=4 40850 B14R1.476 OCCCCOc1ccccc1CO 34a_100011216872_100011216708 [0,2,0,0,0,0|1,0,0]=3 40851 B14R1.476 OCCCCOc1cccnc1CBr 34a_200020655725_100011216708 [0,2,0,0,0,0|2,0,0]=4 40852 B14R1.476 OCCCCOc1cccnc1CBr 7a_200020655725_100000210776 [0,2,0,0,0,0|2,0,0]=4 40853 B14R1.476 OCCCCOc1cccnc1CO 34a_100000731849_100011216708 [0,2,0,0,0,0|2,0,0]=4 40854 B14R1.476 OCCCCOc1cnccc1CO 34a_100000078615_100011216708 [0,2,0,0,0,0|2,0,0]=4 40855 B14R1.476 OCCCCSc1ccccc1CO 62a_100000187465_100000210776 [0,2,0,0,0,0|1,0,0]=3 40856 B14R1.476 OCCCCSc1ccccc1CO 62a_100000210776_100000187465 [0,2,0,0,0,0|1,0,0]=3 40857 B14R1.476 OCCCCSc1cccnc1CO 62a_100000210776_100011996772 [0,2,0,0,0,0|2,0,0]=4 40858 B14R1.476 OCCCCSc1cccnc1CO 62a_100011996772_100000210776 [0,2,0,0,0,0|2,0,0]=4 40859 B14R1.476 OCCCCSc1ccncc1CO 62a_100000117392_100000210776 [0,2,0,0,0,0|2,0,0]=4 40860 B14R1.476 OCCCCSc1ccncc1CO 62a_100000210776_100000117392 [0,2,0,0,0,0|2,0,0]=4 40861 B14R1.476 OCCCCSc1cnccc1CO 62a_100000210776_100009873359 [0,2,0,0,0,0|2,0,0]=4 40862 B14R1.476 OCCCCSc1cnccc1CO 62a_100009873359_100000210776 [0,2,0,0,0,0|2,0,0]=4 40863 B14R1.476 OCCCCSc1ncccc1CO 62a_100000210776_100000748726 [0,2,0,0,0,0|2,0,0]=4 40864 B14R1.476 OCCCCSc1ncccc1CO 62a_100000748726_100000210776 [0,2,0,0,0,0|2,0,0]=4 40865 B14R1.476 OCCCOCc1ccccc1CBr 34a_100009816955_100000230001 [0,2,0,0,0,0|1,0,0]=3 40866 B14R1.476 OCCCOCc1ccccc1CBr 7a_100009816955_100011215043 [0,2,0,0,0,0|1,0,0]=3 40867 B14R1.476 OCCCSCc1ccccc1CO 62a_100009816955_100011215043 [0,2,0,0,0,0|1,0,0]=3 40868 B14R1.476 OCCCSCc1ccccc1CO 62a_100011215043_100009816955 [0,2,0,0,0,0|1,0,0]=3 40869 B14R1.476 OCCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000211926 [0,2,0,0,0,0|1,0,0]=3 40870 B14R1.476 OCCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000211926 [0,2,0,0,0,0|1,0,0]=3 40871 B14R1.476 OCCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000211926 [0,2,0,0,0,0|1,0,0]=3 40872 B14R1.476 OCc1ccccc1CNCCCF 2230a_100015189416_100009816955 [0,2,0,0,0,0|2,0,0]=4 40873 B14R1.476 OCc1ccccc1CNCCCF 34a_100015189416_100009816955 [0,2,0,0,0,0|2,0,0]=4 40874 B14R1.476 OCc1ccccc1COCCCBr 34a_100011217188_100009816955 [0,2,0,0,0,0|2,0,0]=4 40875 B14R1.476 OCc1ccccc1COCCCCl 34a_100000230001_100009816955 [0,2,0,0,0,0|2,0,0]=4 40876 B14R1.476 OCc1ccccc1COCCCF 34a_100000759539_100009816955 [0,2,0,0,0,0|2,0,0]=4 40877 B14R1.476 OCc1ccccc1CSCCCF 62a_100009816955_100011934791 [0,2,0,0,0,0|2,0,0]=4 40878 B14R1.476 OCc1ccccc1CSCCCF 62a_100011934791_100009816955 [0,2,0,0,0,0|2,0,0]=4 40879 B14R1.476 OCc1ccccc1NCCCCF 34a_100000212039_100000729493 [0,2,0,0,0,0|2,0,0]=4 40880 B14R1.476 OCc1ccccc1OCCCCF 34a_100011216872_100000729493 [0,2,0,0,0,0|2,0,0]=4 40881 B14R1.476 OCc1ccccc1SCCCCF 62a_100000187465_100000729493 [0,2,0,0,0,0|2,0,0]=4 40882 B14R1.476 OCc1ccccc1SCCCCF 62a_100000729493_100000187465 [0,2,0,0,0,0|2,0,0]=4 40883 B14R1.837 CC(CF)OCCc1ccccc1Br 34a_100016041109_100012161201 [0,2,0,0,0,0|2,0,0]=4 40884 B14R1.837 CC(CF)OCCc1ccccc1Br 7a_100016041109_100012161201 [0,2,0,0,0,0|2,0,0]=4 40885 B14R1.837 CC(CF)OCCc1ccccc1Cl 34a_100016041109_100011713703 [0,2,0,0,0,0|2,0,0]=4 40886 B14R1.837 CC(CF)OCCc1ccccc1Cl 7a_100016041109_100011713703 [0,2,0,0,0,0|2,0,0]=4 40887 B14R1.837 CC(CF)OCCc1ccccc1F 34a_100016041109_100000720011 [0,2,0,0,0,0|2,0,0]=4 40888 B14R1.837 CC(CF)OCCc1ccccc1F 7a_100016041109_100000720011 [0,2,0,0,0,0|2,0,0]=4 40889 B14R1.837 CC(CF)OCCc1ccccc1O 34a_100016041109_100000722297 [0,2,0,0,0,0|2,0,0]=4 40890 B14R1.837 CC(CF)OCCc1ccccc1O 7a_100016041109_100000722297 [0,2,0,0,0,0|2,0,0]=4 40891 B14R1.837 CC(CN)COCc1ccccc1Br 34a_100000744482_100000184730 [0,2,0,0,0,0|2,0,0]=4 40892 B14R1.837 CC(CN)COCc1ccccc1Cl 34a_100000744482_100000187162 [0,2,0,0,0,0|2,0,0]=4 40893 B14R1.837 CC(CN)COCc1ccccc1F 34a_100000744482_100000211605 [0,2,0,0,0,0|2,0,0]=4 40894 B14R1.837 CC(CN)COCc1ccccc1I 34a_100000744482_100011215278 [0,2,0,0,0,0|2,0,0]=4 40895 B14R1.837 CC(CN)OCCc1ccccc1Br 34a_100000210904_100012161201 [0,2,0,0,0,0|2,0,0]=4 40896 B14R1.837 CC(CN)OCCc1ccccc1Cl 34a_100000210904_100011713703 [0,2,0,0,0,0|2,0,0]=4 40897 B14R1.837 CC(CN)OCCc1ccccc1F 34a_100000210904_100000720011 [0,2,0,0,0,0|2,0,0]=4 40898 B14R1.837 CC(CN)OCCc1ccccc1O 34a_100000210904_100000722297 [0,2,0,0,0,0|2,0,0]=4 40899 B14R1.837 CC(CO)CCNc1ccncc1Br 27a_106354213184_100000726257 [0,2,0,0,0,0|2,0,0]=4 40900 B14R1.837 CC(CO)CCNc1ccncc1F 27a_106354213184_100000035921 [0,2,0,0,0,0|2,0,0]=4 40901 B14R1.837 CC(CO)CCNc1ncccc1Br 27a_106354213184_100000696092 [0,2,0,0,0,0|2,0,0]=4 40902 B14R1.837 CC(CO)CNCc1ccccc1Br 207a_100000744482_100000211189 [0,2,0,0,0,0|1,0,0]=3 40903 B14R1.837 CC(CO)CNCc1ccccc1Br 34a_100000744482_100000184730 [0,2,0,0,0,0|1,0,0]=3 40904 B14R1.837 CC(CO)CNCc1ccccc1Cl 207a_100000744482_100000210073 [0,2,0,0,0,0|1,0,0]=3 40905 B14R1.837 CC(CO)CNCc1ccccc1Cl 34a_100000744482_100000187162 [0,2,0,0,0,0|1,0,0]=3 40906 B14R1.837 CC(CO)CNCc1ccccc1F 207a_100000744482_100000210811 [0,2,0,0,0,0|1,0,0]=3 40907 B14R1.837 CC(CO)CNCc1ccccc1F 34a_100000744482_100000211605 [0,2,0,0,0,0|1,0,0]=3 40908 B14R1.837 CC(CO)CNCc1ccccc1I 207a_100000744482_100000010305 [0,2,0,0,0,0|1,0,0]=3 40909 B14R1.837 CC(CO)CNCc1ccccc1I 34a_100000744482_100011215278 [0,2,0,0,0,0|1,0,0]=3 40910 B14R1.837 CC(CO)CNCc1cccnc1Br 34a_100000744482_100010140945 [0,2,0,0,0,0|2,0,0]=4 40911 B14R1.837 CC(CO)CNCc1cccnc1Cl 34a_100000744482_100000045678 [0,2,0,0,0,0|2,0,0]=4 40912 B14R1.837 CC(CO)CNCc1cccnc1F 34a_100000744482_100000099810 [0,2,0,0,0,0|2,0,0]=4 40913 B14R1.837 CC(CO)CNCc1cccnc1O 207a_100000744482_100011998315 [0,2,0,0,0,0|2,0,0]=4 40914 B14R1.837 CC(CO)CNCc1ccncc1Cl 207a_100000744482_100011934409 [0,2,0,0,0,0|2,0,0]=4 40915 B14R1.837 CC(CO)CNCc1ncccc1Br 207a_100000744482_100011934733 [0,2,0,0,0,0|2,0,0]=4 40916 B14R1.837 CC(CO)CNCc1ncccc1Br 34a_100000744482_100025702911 [0,2,0,0,0,0|2,0,0]=4 40917 B14R1.837 CC(CO)CNCc1ncccc1Cl 207a_100000744482_100012001307 [0,2,0,0,0,0|2,0,0]=4 40918 B14R1.837 CC(CO)CNCc1ncccc1F 207a_100000744482_100011934734 [0,2,0,0,0,0|2,0,0]=4 40919 B14R1.837 CC(CO)CNCc1ncccc1F 34a_100000744482_100000104219 [0,2,0,0,0,0|2,0,0]=4 40920 B14R1.837 CC(CO)CNCc1ncccc1O 34a_100000744482_200020655725 [0,2,0,0,0,0|2,0,0]=4 40921 B14R1.837 CC(CO)NCCc1ccccc1Br 2230a_100000747383_100012180447 [0,2,0,0,0,0|1,0,0]=3 40922 B14R1.837 CC(CO)NCCc1ccccc1Br 34a_100000747383_100012180447 [0,2,0,0,0,0|1,0,0]=3 40923 B14R1.837 CC(CO)NCCc1ccccc1Cl 2230a_100011207228_100012180447 [0,2,0,0,0,0|1,0,0]=3 40924 B14R1.837 CC(CO)NCCc1ccccc1Cl 34a_100011207228_100012180447 [0,2,0,0,0,0|1,0,0]=3 40925 B14R1.837 CC(CO)NCCc1ccccc1F 2230a_100000185272_100012180447 [0,2,0,0,0,0|1,0,0]=3 40926 B14R1.837 CC(CO)NCCc1ccccc1F 34a_100000185272_100012180447 [0,2,0,0,0,0|1,0,0]=3 40927 B14R1.837 CC(CO)NCCc1ccccc1O 34a_100011207237_100012180447 [0,2,0,0,0,0|1,0,0]=3 40928 B14R1.837 CC(CO)NCCn1ccccc1=O 2230a_100000687133_100012180447 [0,2,0,0,0,0|2,0,0]=4 40929 B14R1.837 CC(CO)OCCc1ccccc1Br 34a_100000731337_100012180447 [0,2,0,0,0,0|1,0,0]=3 40930 B14R1.837 CC(CO)OCCc1ccccc1Br 7a_100000731337_100012180447 [0,2,0,0,0,0|1,0,0]=3 40931 B14R1.837 CC(CO)OCCc1ccccc1Cl 34a_100011215284_100012180447 [0,2,0,0,0,0|1,0,0]=3 40932 B14R1.837 CC(CO)OCCc1ccccc1Cl 7a_100011215284_100012180447 [0,2,0,0,0,0|1,0,0]=3 40933 B14R1.837 CC(CO)OCCc1ccccc1F 34a_100000753711_100012180447 [0,2,0,0,0,0|1,0,0]=3 40934 B14R1.837 CC(CO)OCCc1ccccc1F 7a_100000753711_100012180447 [0,2,0,0,0,0|1,0,0]=3 40935 B14R1.837 CC(CO)OCCc1ccccc1I 34a_100010255290_100012180447 [0,2,0,0,0,0|1,0,0]=3 40936 B14R1.837 CC(CO)OCCc1ccccc1I 7a_100010255290_100012180447 [0,2,0,0,0,0|1,0,0]=3 40937 B14R1.837 CC(CO)OCCc1ccccc1N 34a_100011215289_100012180447 [0,2,0,0,0,0|1,0,0]=3 40938 B14R1.837 CC(CO)SCCc1ccccc1Br 62a_100012180447_100012161201 [0,2,0,0,0,0|1,0,0]=3 40939 B14R1.837 CC(CO)SCCc1ccccc1Cl 62a_100012180447_100011713703 [0,2,0,0,0,0|1,0,0]=3 40940 B14R1.837 CC(CO)SCCc1ccccc1F 62a_100012180447_100011713696 [0,2,0,0,0,0|1,0,0]=3 40941 B14R1.837 CC(CO)SCCc1ccccc1O 62a_100012180447_100000722297 [0,2,0,0,0,0|1,0,0]=3 40942 B14R1.837 CCC(=O)CCCc1ccccc1Br 1458a_100000210414_200011713681 [0,2,0,0,0,0|1,0,1]=4 40943 B14R1.837 CCC(=O)CCCc1ccccc1Cl 1458a_100000700343_100000210202 [0,2,0,0,0,0|1,0,1]=4 40944 B14R1.837 CCC(=O)CCCc1ccccc1O 1458a_100009859317_100000210202 [0,2,0,0,0,0|1,0,1]=4 40945 B14R1.837 CCC(C)CNCc1ccccc1Br 207a_100020588543_100000211189 [0,2,0,0,0,0|2,0,0]=4 40946 B14R1.837 CCC(C)CNCc1ccccc1Br 2230a_100000689332_100000748023 [0,2,0,0,0,0|2,0,0]=4 40947 B14R1.837 CCC(C)CNCc1ccccc1Br 2230a_100020588543_100000184730 [0,2,0,0,0,0|2,0,0]=4 40948 B14R1.837 CCC(C)CNCc1ccccc1Br 26a_100020588543_100000181306 [0,2,0,0,0,0|2,0,0]=4 40949 B14R1.837 CCC(C)CNCc1ccccc1Br 270004a_100000689332_100000243153 [0,2,0,0,0,0|2,0,0]=4 40950 B14R1.837 CCC(C)CNCc1ccccc1Br 270004a_100020588543_100000211189 [0,2,0,0,0,0|2,0,0]=4 40951 B14R1.837 CCC(C)CNCc1ccccc1Br 34a_100000689332_100000748023 [0,2,0,0,0,0|2,0,0]=4 40952 B14R1.837 CCC(C)CNCc1ccccc1C 207a_100020588543_100000211143 [0,2,0,0,0,0|2,0,0]=4 40953 B14R1.837 CCC(C)CNCc1ccccc1C 2230a_100020588543_100000211839 [0,2,0,0,0,0|2,0,0]=4 40954 B14R1.837 CCC(C)CNCc1ccccc1C 270004a_100000174972_100000243153 [0,2,0,0,0,0|2,0,0]=4 40955 B14R1.837 CCC(C)CNCc1ccccc1C 270004a_100020588543_100000211143 [0,2,0,0,0,0|2,0,0]=4 40956 B14R1.837 CCC(C)CNCc1ccccc1C 34a_100000174972_100000748023 [0,2,0,0,0,0|2,0,0]=4 40957 B14R1.837 CCC(C)CNCc1ccccc1Cl 207a_100020588543_100000210073 [0,2,0,0,0,0|2,0,0]=4 40958 B14R1.837 CCC(C)CNCc1ccccc1Cl 2230a_100000174879_100000748023 [0,2,0,0,0,0|2,0,0]=4 40959 B14R1.837 CCC(C)CNCc1ccccc1Cl 2230a_100020588543_100000187162 [0,2,0,0,0,0|2,0,0]=4 40960 B14R1.837 CCC(C)CNCc1ccccc1Cl 26a_100020588543_100000210172 [0,2,0,0,0,0|2,0,0]=4 40961 B14R1.837 CCC(C)CNCc1ccccc1Cl 270004a_100000174879_100000243153 [0,2,0,0,0,0|2,0,0]=4 40962 B14R1.837 CCC(C)CNCc1ccccc1Cl 270004a_100020588543_100000210073 [0,2,0,0,0,0|2,0,0]=4 40963 B14R1.837 CCC(C)CNCc1ccccc1Cl 34a_100000174879_100000748023 [0,2,0,0,0,0|2,0,0]=4 40964 B14R1.837 CCC(C)CNCc1ccccc1F 207a_100020588543_100000210811 [0,2,0,0,0,0|2,0,0]=4 40965 B14R1.837 CCC(C)CNCc1ccccc1F 2230a_100020588543_100000211605 [0,2,0,0,0,0|2,0,0]=4 40966 B14R1.837 CCC(C)CNCc1ccccc1F 270004a_100000174869_100000243153 [0,2,0,0,0,0|2,0,0]=4 40967 B14R1.837 CCC(C)CNCc1ccccc1F 270004a_100020588543_100000210811 [0,2,0,0,0,0|2,0,0]=4 40968 B14R1.837 CCC(C)CNCc1ccccc1F 34a_100000174869_100000748023 [0,2,0,0,0,0|2,0,0]=4 40969 B14R1.837 CCC(C)CNCc1ccccc1I 207a_100020588543_100000010305 [0,2,0,0,0,0|2,0,0]=4 40970 B14R1.837 CCC(C)CNCc1ccccc1I 2230a_100020588543_100011215278 [0,2,0,0,0,0|2,0,0]=4 40971 B14R1.837 CCC(C)CNCc1ccccc1I 270004a_100015347259_100000243153 [0,2,0,0,0,0|2,0,0]=4 40972 B14R1.837 CCC(C)CNCc1ccccc1I 270004a_100020588543_100000010305 [0,2,0,0,0,0|2,0,0]=4 40973 B14R1.837 CCC(C)CNCc1ccccc1O 270004a_100000185550_100000243153 [0,2,0,0,0,0|2,0,0]=4 40974 B14R1.837 CCC(C)CNCc1ccccc1O 34a_100000185550_100000748023 [0,2,0,0,0,0|2,0,0]=4 40975 B14R1.837 CCC(C)COCc1ccccc1Br 34a_100000756307_100000748023 [0,2,0,0,0,0|2,0,0]=4 40976 B14R1.837 CCC(C)COCc1ccccc1Br 7a_100000756307_100000748023 [0,2,0,0,0,0|2,0,0]=4 40977 B14R1.837 CCC(C)COCc1ccccc1C 34a_100000698903_100000748023 [0,2,0,0,0,0|2,0,0]=4 40978 B14R1.837 CCC(C)COCc1ccccc1C 7a_100000698903_100000748023 [0,2,0,0,0,0|2,0,0]=4 40979 B14R1.837 CCC(C)COCc1ccccc1Cl 34a_100000210847_100000748023 [0,2,0,0,0,0|2,0,0]=4 40980 B14R1.837 CCC(C)COCc1ccccc1Cl 7a_100000210847_100000748023 [0,2,0,0,0,0|2,0,0]=4 40981 B14R1.837 CCC(C)COCc1ccccc1F 34a_100000211962_100000748023 [0,2,0,0,0,0|2,0,0]=4 40982 B14R1.837 CCC(C)COCc1ccccc1F 7a_100000211962_100000748023 [0,2,0,0,0,0|2,0,0]=4 40983 B14R1.837 CCC(C)COCc1ccccc1I 34a_100000187465_100000748023 [0,2,0,0,0,0|2,0,0]=4 40984 B14R1.837 CCC(C)COCc1ccccc1I 7a_100000187465_100000748023 [0,2,0,0,0,0|2,0,0]=4 40985 B14R1.837 CCC(C)COCc1ccccc1N 34a_100000212039_100000748023 [0,2,0,0,0,0|2,0,0]=4 40986 B14R1.837 CCC(C)CSCc1ccccc1Br 62a_100000184730_100000748023 [0,2,0,0,0,0|2,0,0]=4 40987 B14R1.837 CCC(C)CSCc1ccccc1Br 62a_100000748023_100000184730 [0,2,0,0,0,0|2,0,0]=4 40988 B14R1.837 CCC(C)CSCc1ccccc1C 62a_100000211839_100000748023 [0,2,0,0,0,0|2,0,0]=4 40989 B14R1.837 CCC(C)CSCc1ccccc1C 62a_100000748023_100000211839 [0,2,0,0,0,0|2,0,0]=4 40990 B14R1.837 CCC(C)CSCc1ccccc1Cl 62a_100000187162_100000748023 [0,2,0,0,0,0|2,0,0]=4 40991 B14R1.837 CCC(C)CSCc1ccccc1Cl 62a_100000748023_100000187162 [0,2,0,0,0,0|2,0,0]=4 40992 B14R1.837 CCC(C)CSCc1ccccc1F 62a_100000211605_100000748023 [0,2,0,0,0,0|2,0,0]=4 40993 B14R1.837 CCC(C)CSCc1ccccc1F 62a_100000748023_100000211605 [0,2,0,0,0,0|2,0,0]=4 40994 B14R1.837 CCC(C)CSCc1ccccc1I 62a_100000748023_100011216222 [0,2,0,0,0,0|2,0,0]=4 40995 B14R1.837 CCC(C)CSCc1ccccc1I 62a_100011216222_100000748023 [0,2,0,0,0,0|2,0,0]=4 40996 B14R1.837 CCC(C)NCCc1ccccc1Br 2230a_100000209981_100012161201 [0,2,0,0,0,0|2,0,0]=4 40997 B14R1.837 CCC(C)NCCc1ccccc1Br 2230a_100000747383_100000758301 [0,2,0,0,0,0|2,0,0]=4 40998 B14R1.837 CCC(C)NCCc1ccccc1Br 34a_100000747383_100011215416 [0,2,0,0,0,0|2,0,0]=4 40999 B14R1.837 CCC(C)NCCc1ccccc1C 2230a_100000209981_100011713688 [0,2,0,0,0,0|2,0,0]=4 41000 B14R1.837 CCC(C)NCCc1ccccc1C 2230a_100000685071_100000758301 [0,2,0,0,0,0|2,0,0]=4 41001 B14R1.837 CCC(C)NCCc1ccccc1C 34a_100000685071_100011215416 [0,2,0,0,0,0|2,0,0]=4 41002 B14R1.837 CCC(C)NCCc1ccccc1Cl 2230a_100000209981_100011713703 [0,2,0,0,0,0|2,0,0]=4 41003 B14R1.837 CCC(C)NCCc1ccccc1Cl 2230a_100011207228_100000758301 [0,2,0,0,0,0|2,0,0]=4 41004 B14R1.837 CCC(C)NCCc1ccccc1Cl 270004a_100000209981_200011713468 [0,2,0,0,0,0|2,0,0]=4 41005 B14R1.837 CCC(C)NCCc1ccccc1Cl 34a_100011207228_100011215416 [0,2,0,0,0,0|2,0,0]=4 41006 B14R1.837 CCC(C)NCCc1ccccc1F 2230a_100000185272_100000758301 [0,2,0,0,0,0|2,0,0]=4 41007 B14R1.837 CCC(C)NCCc1ccccc1F 2230a_100000209981_100011713696 [0,2,0,0,0,0|2,0,0]=4 41008 B14R1.837 CCC(C)NCCc1ccccc1F 34a_100000185272_100011215416 [0,2,0,0,0,0|2,0,0]=4 41009 B14R1.837 CCC(C)NCCc1ccccc1O 34a_100011207237_100011215416 [0,2,0,0,0,0|2,0,0]=4 41010 B14R1.837 CCC(C)OCCc1ccccc1Br 34a_100000731337_100011215416 [0,2,0,0,0,0|2,0,0]=4 41011 B14R1.837 CCC(C)OCCc1ccccc1Br 7a_100000210228_100012161201 [0,2,0,0,0,0|2,0,0]=4 41012 B14R1.837 CCC(C)OCCc1ccccc1Br 7a_100000731337_100000758301 [0,2,0,0,0,0|2,0,0]=4 41013 B14R1.837 CCC(C)OCCc1ccccc1C 34a_100011220023_100011215416 [0,2,0,0,0,0|2,0,0]=4 41014 B14R1.837 CCC(C)OCCc1ccccc1C 7a_100000210228_100011713688 [0,2,0,0,0,0|2,0,0]=4 41015 B14R1.837 CCC(C)OCCc1ccccc1C 7a_100011220023_100000758301 [0,2,0,0,0,0|2,0,0]=4 41016 B14R1.837 CCC(C)OCCc1ccccc1Cl 34a_100011215284_100011215416 [0,2,0,0,0,0|2,0,0]=4 41017 B14R1.837 CCC(C)OCCc1ccccc1Cl 7a_100000210228_100011713703 [0,2,0,0,0,0|2,0,0]=4 41018 B14R1.837 CCC(C)OCCc1ccccc1Cl 7a_100011215284_100000758301 [0,2,0,0,0,0|2,0,0]=4 41019 B14R1.837 CCC(C)OCCc1ccccc1F 34a_100000753711_100011215416 [0,2,0,0,0,0|2,0,0]=4 41020 B14R1.837 CCC(C)OCCc1ccccc1F 7a_100000210228_100000720011 [0,2,0,0,0,0|2,0,0]=4 41021 B14R1.837 CCC(C)OCCc1ccccc1F 7a_100000753711_100000758301 [0,2,0,0,0,0|2,0,0]=4 41022 B14R1.837 CCC(C)OCCc1ccccc1I 34a_100010255290_100011215416 [0,2,0,0,0,0|2,0,0]=4 41023 B14R1.837 CCC(C)OCCc1ccccc1I 7a_100010255290_100000758301 [0,2,0,0,0,0|2,0,0]=4 41024 B14R1.837 CCC(C)OCCc1ccccc1N 34a_100011215289_100011215416 [0,2,0,0,0,0|2,0,0]=4 41025 B14R1.837 CCC(C)OCCc1ccccc1O 7a_100000210228_100000722297 [0,2,0,0,0,0|2,0,0]=4 41026 B14R1.837 CCC(C)SCCc1ccccc1Br 62a_100000758301_100012161201 [0,2,0,0,0,0|2,0,0]=4 41027 B14R1.837 CCC(C)SCCc1ccccc1Br 62a_100012161201_100000758301 [0,2,0,0,0,0|2,0,0]=4 41028 B14R1.837 CCC(C)SCCc1ccccc1C 62a_100000758301_100011713688 [0,2,0,0,0,0|2,0,0]=4 41029 B14R1.837 CCC(C)SCCc1ccccc1C 62a_100011713688_100000758301 [0,2,0,0,0,0|2,0,0]=4 41030 B14R1.837 CCC(C)SCCc1ccccc1Cl 62a_100000758301_100011713703 [0,2,0,0,0,0|2,0,0]=4 41031 B14R1.837 CCC(C)SCCc1ccccc1Cl 62a_100011713703_100000758301 [0,2,0,0,0,0|2,0,0]=4 41032 B14R1.837 CCC(C)SCCc1ccccc1F 62a_100000758301_100011713696 [0,2,0,0,0,0|2,0,0]=4 41033 B14R1.837 CCC(C)SCCc1ccccc1F 62a_100011713696_100000758301 [0,2,0,0,0,0|2,0,0]=4 41034 B14R1.837 CCC(C)SCCc1ccccc1O 62a_100000722297_100000758301 [0,2,0,0,0,0|2,0,0]=4 41035 B14R1.837 CCC(C)SCCc1ccccc1O 62a_100000758301_100000722297 [0,2,0,0,0,0|2,0,0]=4 41036 B14R1.837 CCC(O)CNCc1ccccc1Br 207a_100011218483_100000211189 [0,2,0,0,0,0|2,0,0]=4 41037 B14R1.837 CCC(O)CNCc1ccccc1Br 2230a_100000689332_100011218378 [0,2,0,0,0,0|2,0,0]=4 41038 B14R1.837 CCC(O)CNCc1ccccc1Br 2230a_100011218483_100000184730 [0,2,0,0,0,0|2,0,0]=4 41039 B14R1.837 CCC(O)CNCc1ccccc1Br 270004a_100011218483_100000211189 [0,2,0,0,0,0|2,0,0]=4 41040 B14R1.837 CCC(O)CNCc1ccccc1Br 34a_100000689332_100011218378 [0,2,0,0,0,0|2,0,0]=4 41041 B14R1.837 CCC(O)CNCc1ccccc1C 207a_100011218483_100000211143 [0,2,0,0,0,0|2,0,0]=4 41042 B14R1.837 CCC(O)CNCc1ccccc1C 2230a_100011218483_100000211839 [0,2,0,0,0,0|2,0,0]=4 41043 B14R1.837 CCC(O)CNCc1ccccc1C 270004a_100011218483_100000211143 [0,2,0,0,0,0|2,0,0]=4 41044 B14R1.837 CCC(O)CNCc1ccccc1C 34a_100000174972_100011218378 [0,2,0,0,0,0|2,0,0]=4 41045 B14R1.837 CCC(O)CNCc1ccccc1Cl 207a_100011218483_100000210073 [0,2,0,0,0,0|2,0,0]=4 41046 B14R1.837 CCC(O)CNCc1ccccc1Cl 2230a_100000174879_100011218378 [0,2,0,0,0,0|2,0,0]=4 41047 B14R1.837 CCC(O)CNCc1ccccc1Cl 2230a_100011218483_100000187162 [0,2,0,0,0,0|2,0,0]=4 41048 B14R1.837 CCC(O)CNCc1ccccc1Cl 270004a_100011218483_100000210073 [0,2,0,0,0,0|2,0,0]=4 41049 B14R1.837 CCC(O)CNCc1ccccc1Cl 34a_100000174879_100011218378 [0,2,0,0,0,0|2,0,0]=4 41050 B14R1.837 CCC(O)CNCc1ccccc1F 207a_100011218483_100000210811 [0,2,0,0,0,0|2,0,0]=4 41051 B14R1.837 CCC(O)CNCc1ccccc1F 2230a_100011218483_100000211605 [0,2,0,0,0,0|2,0,0]=4 41052 B14R1.837 CCC(O)CNCc1ccccc1F 270004a_100011218483_100000210811 [0,2,0,0,0,0|2,0,0]=4 41053 B14R1.837 CCC(O)CNCc1ccccc1F 34a_100000174869_100011218378 [0,2,0,0,0,0|2,0,0]=4 41054 B14R1.837 CCC(O)CNCc1ccccc1I 207a_100011218483_100000010305 [0,2,0,0,0,0|2,0,0]=4 41055 B14R1.837 CCC(O)CNCc1ccccc1I 2230a_100011218483_100011215278 [0,2,0,0,0,0|2,0,0]=4 41056 B14R1.837 CCC(O)CNCc1ccccc1I 270004a_100011218483_100000010305 [0,2,0,0,0,0|2,0,0]=4 41057 B14R1.837 CCC(O)CNCc1ccccc1O 34a_100000185550_100011218378 [0,2,0,0,0,0|2,0,0]=4 41058 B14R1.837 CCC(O)COCc1ccccc1Br 34a_100000756307_100011218378 [0,2,0,0,0,0|2,0,0]=4 41059 B14R1.837 CCC(O)COCc1ccccc1Br 7a_100000756307_100011218378 [0,2,0,0,0,0|2,0,0]=4 41060 B14R1.837 CCC(O)COCc1ccccc1C 34a_100000698903_100011218378 [0,2,0,0,0,0|2,0,0]=4 41061 B14R1.837 CCC(O)COCc1ccccc1C 7a_100000698903_100011218378 [0,2,0,0,0,0|2,0,0]=4 41062 B14R1.837 CCC(O)COCc1ccccc1Cl 34a_100000210847_100011218378 [0,2,0,0,0,0|2,0,0]=4 41063 B14R1.837 CCC(O)COCc1ccccc1Cl 7a_100000210847_100011218378 [0,2,0,0,0,0|2,0,0]=4 41064 B14R1.837 CCC(O)COCc1ccccc1F 34a_100000211962_100011218378 [0,2,0,0,0,0|2,0,0]=4 41065 B14R1.837 CCC(O)COCc1ccccc1F 7a_100000211962_100011218378 [0,2,0,0,0,0|2,0,0]=4 41066 B14R1.837 CCC(O)COCc1ccccc1I 34a_100000187465_100011218378 [0,2,0,0,0,0|2,0,0]=4 41067 B14R1.837 CCC(O)COCc1ccccc1I 7a_100000187465_100011218378 [0,2,0,0,0,0|2,0,0]=4 41068 B14R1.837 CCC(O)COCc1ccccc1N 34a_100000212039_100011218378 [0,2,0,0,0,0|2,0,0]=4 41069 B14R1.837 CCC(O)CSCc1ccccc1Br 62a_100000184730_100011218378 [0,2,0,0,0,0|2,0,0]=4 41070 B14R1.837 CCC(O)CSCc1ccccc1Br 62a_100011218378_100000184730 [0,2,0,0,0,0|2,0,0]=4 41071 B14R1.837 CCC(O)CSCc1ccccc1C 62a_100000211839_100011218378 [0,2,0,0,0,0|2,0,0]=4 41072 B14R1.837 CCC(O)CSCc1ccccc1C 62a_100011218378_100000211839 [0,2,0,0,0,0|2,0,0]=4 41073 B14R1.837 CCC(O)CSCc1ccccc1Cl 62a_100000187162_100011218378 [0,2,0,0,0,0|2,0,0]=4 41074 B14R1.837 CCC(O)CSCc1ccccc1Cl 62a_100011218378_100000187162 [0,2,0,0,0,0|2,0,0]=4 41075 B14R1.837 CCC(O)CSCc1ccccc1F 62a_100000211605_100011218378 [0,2,0,0,0,0|2,0,0]=4 41076 B14R1.837 CCC(O)CSCc1ccccc1F 62a_100011218378_100000211605 [0,2,0,0,0,0|2,0,0]=4 41077 B14R1.837 CCC(O)CSCc1ccccc1I 62a_100011216222_100011218378 [0,2,0,0,0,0|2,0,0]=4 41078 B14R1.837 CCC(O)CSCc1ccccc1I 62a_100011218378_100011216222 [0,2,0,0,0,0|2,0,0]=4 41079 B14R1.837 CCN(C)CCCc1ccccc1Br 2230a_100000225621_200011713681 [0,2,0,0,0,0|2,0,0]=4 41080 B14R1.837 CCN(C)CCCc1ccccc1Br 269982a_100000225621_200011713681 [0,2,0,0,0,0|2,0,0]=4 41081 B14R1.837 CC[C@H](C)CNCc1ccccc1Br 2230a_100000689332_100009816398 [0,2,0,0,0,0|2,0,0]=4 41082 B14R1.837 CC[C@H](C)CNCc1ccccc1Br 34a_100000689332_100009816398 [0,2,0,0,0,0|2,0,0]=4 41083 B14R1.837 CC[C@H](C)CNCc1ccccc1C 34a_100000174972_100009816398 [0,2,0,0,0,0|2,0,0]=4 41084 B14R1.837 CC[C@H](C)CNCc1ccccc1Cl 2230a_100000174879_100009816398 [0,2,0,0,0,0|2,0,0]=4 41085 B14R1.837 CC[C@H](C)CNCc1ccccc1Cl 34a_100000174879_100009816398 [0,2,0,0,0,0|2,0,0]=4 41086 B14R1.837 CC[C@H](C)CNCc1ccccc1F 34a_100000174869_100009816398 [0,2,0,0,0,0|2,0,0]=4 41087 B14R1.837 CC[C@H](C)CNCc1ccccc1O 34a_100000185550_100009816398 [0,2,0,0,0,0|2,0,0]=4 41088 B14R1.837 CC[C@H](C)COCc1ccccc1Br 34a_100000756307_100009816398 [0,2,0,0,0,0|2,0,0]=4 41089 B14R1.837 CC[C@H](C)COCc1ccccc1Br 7a_100000756307_100009816398 [0,2,0,0,0,0|2,0,0]=4 41090 B14R1.837 CC[C@H](C)COCc1ccccc1Br 7a_100009816381_100000184730 [0,2,0,0,0,0|2,0,0]=4 41091 B14R1.837 CC[C@H](C)COCc1ccccc1C 34a_100000698903_100009816398 [0,2,0,0,0,0|2,0,0]=4 41092 B14R1.837 CC[C@H](C)COCc1ccccc1C 7a_100000698903_100009816398 [0,2,0,0,0,0|2,0,0]=4 41093 B14R1.837 CC[C@H](C)COCc1ccccc1C 7a_100009816381_100000211839 [0,2,0,0,0,0|2,0,0]=4 41094 B14R1.837 CC[C@H](C)COCc1ccccc1Cl 34a_100000210847_100009816398 [0,2,0,0,0,0|2,0,0]=4 41095 B14R1.837 CC[C@H](C)COCc1ccccc1Cl 7a_100000210847_100009816398 [0,2,0,0,0,0|2,0,0]=4 41096 B14R1.837 CC[C@H](C)COCc1ccccc1Cl 7a_100009816381_100000187162 [0,2,0,0,0,0|2,0,0]=4 41097 B14R1.837 CC[C@H](C)COCc1ccccc1F 34a_100000211962_100009816398 [0,2,0,0,0,0|2,0,0]=4 41098 B14R1.837 CC[C@H](C)COCc1ccccc1F 7a_100000211962_100009816398 [0,2,0,0,0,0|2,0,0]=4 41099 B14R1.837 CC[C@H](C)COCc1ccccc1F 7a_100009816381_100000211605 [0,2,0,0,0,0|2,0,0]=4 41100 B14R1.837 CC[C@H](C)COCc1ccccc1I 34a_100000187465_100009816398 [0,2,0,0,0,0|2,0,0]=4 41101 B14R1.837 CC[C@H](C)COCc1ccccc1I 7a_100000187465_100009816398 [0,2,0,0,0,0|2,0,0]=4 41102 B14R1.837 CC[C@H](C)COCc1ccccc1I 7a_100009816381_100011215278 [0,2,0,0,0,0|2,0,0]=4 41103 B14R1.837 CC[C@H](C)COCc1ccccc1N 34a_100000212039_100009816398 [0,2,0,0,0,0|2,0,0]=4 41104 B14R1.837 CC[C@H](C)CSCc1ccccc1Br 62a_100000184730_100009816398 [0,2,0,0,0,0|2,0,0]=4 41105 B14R1.837 CC[C@H](C)CSCc1ccccc1Br 62a_100009816398_100000184730 [0,2,0,0,0,0|2,0,0]=4 41106 B14R1.837 CC[C@H](C)CSCc1ccccc1C 62a_100000211839_100009816398 [0,2,0,0,0,0|2,0,0]=4 41107 B14R1.837 CC[C@H](C)CSCc1ccccc1C 62a_100009816398_100000211839 [0,2,0,0,0,0|2,0,0]=4 41108 B14R1.837 CC[C@H](C)CSCc1ccccc1Cl 62a_100000187162_100009816398 [0,2,0,0,0,0|2,0,0]=4 41109 B14R1.837 CC[C@H](C)CSCc1ccccc1Cl 62a_100009816398_100000187162 [0,2,0,0,0,0|2,0,0]=4 41110 B14R1.837 CC[C@H](C)CSCc1ccccc1F 62a_100000211605_100009816398 [0,2,0,0,0,0|2,0,0]=4 41111 B14R1.837 CC[C@H](C)CSCc1ccccc1F 62a_100009816398_100000211605 [0,2,0,0,0,0|2,0,0]=4 41112 B14R1.837 CC[C@H](C)CSCc1ccccc1I 62a_100009816398_100011216222 [0,2,0,0,0,0|2,0,0]=4 41113 B14R1.837 CC[C@H](C)CSCc1ccccc1I 62a_100011216222_100009816398 [0,2,0,0,0,0|2,0,0]=4 41114 B14R1.837 C[C@@H](CO)CNCc1ccccc1Br 2230a_100000689332_100000059175 [0,2,0,0,0,0|1,0,0]=3 41115 B14R1.837 C[C@@H](CO)CNCc1ccccc1Br 34a_100000689332_100000059175 [0,2,0,0,0,0|1,0,0]=3 41116 B14R1.837 C[C@@H](CO)CNCc1ccccc1Cl 2230a_100000174879_100000059175 [0,2,0,0,0,0|1,0,0]=3 41117 B14R1.837 C[C@@H](CO)CNCc1ccccc1Cl 34a_100000174879_100000059175 [0,2,0,0,0,0|1,0,0]=3 41118 B14R1.837 C[C@@H](CO)CNCc1ccccc1F 34a_100000174869_100000059175 [0,2,0,0,0,0|1,0,0]=3 41119 B14R1.837 C[C@@H](CO)CNCc1ccccc1O 34a_100000185550_100000059175 [0,2,0,0,0,0|1,0,0]=3 41120 B14R1.837 C[C@@H](CO)CNCc1cccnc1Br 2230a_100009818023_100000059175 [0,2,0,0,0,0|2,0,0]=4 41121 B14R1.837 C[C@@H](CO)CNCc1cccnc1Br 34a_100009818023_100000059175 [0,2,0,0,0,0|2,0,0]=4 41122 B14R1.837 C[C@@H](CO)CNCc1cccnc1Cl 2230a_100015189234_100000059175 [0,2,0,0,0,0|2,0,0]=4 41123 B14R1.837 C[C@@H](CO)CNCc1cccnc1Cl 34a_100015189234_100000059175 [0,2,0,0,0,0|2,0,0]=4 41124 B14R1.837 C[C@@H](CO)CNCc1cccnc1F 34a_100000724633_100000059175 [0,2,0,0,0,0|2,0,0]=4 41125 B14R1.837 C[C@@H](CO)CNCc1ccncc1F 34a_100011935246_100000059175 [0,2,0,0,0,0|2,0,0]=4 41126 B14R1.837 C[C@@H](CO)CNCc1ncccc1Cl 2230a_100015189233_100000059175 [0,2,0,0,0,0|2,0,0]=4 41127 B14R1.837 C[C@@H](CO)CNCc1ncccc1F 34a_100000690088_100000059175 [0,2,0,0,0,0|2,0,0]=4 41128 B14R1.837 C[C@@H](CO)COCc1ccccc1Br 34a_100000756307_100000059175 [0,2,0,0,0,0|1,0,0]=3 41129 B14R1.837 C[C@@H](CO)COCc1ccccc1Br 7a_100000756307_100000059175 [0,2,0,0,0,0|1,0,0]=3 41130 B14R1.837 C[C@@H](CO)COCc1ccccc1Cl 34a_100000210847_100000059175 [0,2,0,0,0,0|1,0,0]=3 41131 B14R1.837 C[C@@H](CO)COCc1ccccc1Cl 7a_100000210847_100000059175 [0,2,0,0,0,0|1,0,0]=3 41132 B14R1.837 C[C@@H](CO)COCc1ccccc1F 34a_100000211962_100000059175 [0,2,0,0,0,0|1,0,0]=3 41133 B14R1.837 C[C@@H](CO)COCc1ccccc1F 7a_100000211962_100000059175 [0,2,0,0,0,0|1,0,0]=3 41134 B14R1.837 C[C@@H](CO)COCc1ccccc1I 34a_100000187465_100000059175 [0,2,0,0,0,0|1,0,0]=3 41135 B14R1.837 C[C@@H](CO)COCc1ccccc1I 7a_100000187465_100000059175 [0,2,0,0,0,0|1,0,0]=3 41136 B14R1.837 C[C@@H](CO)COCc1ccccc1N 34a_100000212039_100000059175 [0,2,0,0,0,0|1,0,0]=3 41137 B14R1.837 C[C@@H](CO)COCc1cccnc1Br 34a_100000719692_100000059175 [0,2,0,0,0,0|2,0,0]=4 41138 B14R1.837 C[C@@H](CO)COCc1cccnc1Br 7a_100000719692_100000059175 [0,2,0,0,0,0|2,0,0]=4 41139 B14R1.837 C[C@@H](CO)COCc1cccnc1Cl 34a_100000748726_100000059175 [0,2,0,0,0,0|2,0,0]=4 41140 B14R1.837 C[C@@H](CO)COCc1cccnc1Cl 7a_100000748726_100000059175 [0,2,0,0,0,0|2,0,0]=4 41141 B14R1.837 C[C@@H](CO)COCc1cccnc1F 34a_100000079888_100000059175 [0,2,0,0,0,0|2,0,0]=4 41142 B14R1.837 C[C@@H](CO)COCc1cccnc1F 7a_100000079888_100000059175 [0,2,0,0,0,0|2,0,0]=4 41143 B14R1.837 C[C@@H](CO)COCc1ccncc1F 34a_100012172863_100000059175 [0,2,0,0,0,0|2,0,0]=4 41144 B14R1.837 C[C@@H](CO)COCc1cnccc1Cl 34a_100000117392_100000059175 [0,2,0,0,0,0|2,0,0]=4 41145 B14R1.837 C[C@@H](CO)COCc1ncccc1Br 34a_100011996772_100000059175 [0,2,0,0,0,0|2,0,0]=4 41146 B14R1.837 C[C@@H](CO)COCc1ncccc1Cl 34a_100012002383_100000059175 [0,2,0,0,0,0|2,0,0]=4 41147 B14R1.837 C[C@@H](CO)COCc1ncccc1F 34a_100011934865_100000059175 [0,2,0,0,0,0|2,0,0]=4 41148 B14R1.837 C[C@@H](CO)COCc1ncccc1N 34a_114873767017_100000059175 [0,2,0,0,0,0|2,0,0]=4 41149 B14R1.837 C[C@@H](CO)CSCc1ccccc1Br 62a_100000059175_100000184730 [0,2,0,0,0,0|1,0,0]=3 41150 B14R1.837 C[C@@H](CO)CSCc1ccccc1Br 62a_100000184730_100000059175 [0,2,0,0,0,0|1,0,0]=3 41151 B14R1.837 C[C@@H](CO)CSCc1ccccc1Cl 62a_100000059175_100000187162 [0,2,0,0,0,0|1,0,0]=3 41152 B14R1.837 C[C@@H](CO)CSCc1ccccc1Cl 62a_100000187162_100000059175 [0,2,0,0,0,0|1,0,0]=3 41153 B14R1.837 C[C@@H](CO)CSCc1ccccc1F 62a_100000059175_100000211605 [0,2,0,0,0,0|1,0,0]=3 41154 B14R1.837 C[C@@H](CO)CSCc1ccccc1F 62a_100000211605_100000059175 [0,2,0,0,0,0|1,0,0]=3 41155 B14R1.837 C[C@@H](CO)CSCc1ccccc1I 62a_100000059175_100011216222 [0,2,0,0,0,0|1,0,0]=3 41156 B14R1.837 C[C@@H](CO)CSCc1ccccc1I 62a_100011216222_100000059175 [0,2,0,0,0,0|1,0,0]=3 41157 B14R1.837 C[C@@H](CO)CSCc1cccnc1Br 62a_100000059175_100010140945 [0,2,0,0,0,0|2,0,0]=4 41158 B14R1.837 C[C@@H](CO)CSCc1cccnc1Br 62a_100010140945_100000059175 [0,2,0,0,0,0|2,0,0]=4 41159 B14R1.837 C[C@@H](CO)CSCc1cccnc1Cl 62a_100000045678_100000059175 [0,2,0,0,0,0|2,0,0]=4 41160 B14R1.837 C[C@@H](CO)CSCc1cccnc1Cl 62a_100000059175_100000045678 [0,2,0,0,0,0|2,0,0]=4 41161 B14R1.837 C[C@@H](CO)CSCc1cccnc1F 62a_100000059175_100000099810 [0,2,0,0,0,0|2,0,0]=4 41162 B14R1.837 C[C@@H](CO)CSCc1cccnc1F 62a_100000099810_100000059175 [0,2,0,0,0,0|2,0,0]=4 41163 B14R1.837 C[C@@H](CO)CSCc1ccncc1Cl 62a_100000059175_100000763264 [0,2,0,0,0,0|2,0,0]=4 41164 B14R1.837 C[C@@H](CO)CSCc1ccncc1Cl 62a_100000763264_100000059175 [0,2,0,0,0,0|2,0,0]=4 41165 B14R1.837 C[C@@H](CO)CSCc1ncccc1Br 62a_100000059175_100025702911 [0,2,0,0,0,0|2,0,0]=4 41166 B14R1.837 C[C@@H](CO)CSCc1ncccc1Br 62a_100025702911_100000059175 [0,2,0,0,0,0|2,0,0]=4 41167 B14R1.837 C[C@@H](CO)CSCc1ncccc1Cl 62a_100000059175_100000099807 [0,2,0,0,0,0|2,0,0]=4 41168 B14R1.837 C[C@@H](CO)CSCc1ncccc1Cl 62a_100000099807_100000059175 [0,2,0,0,0,0|2,0,0]=4 41169 B14R1.837 C[C@@H](CO)CSCc1ncccc1F 62a_100000059175_100000104219 [0,2,0,0,0,0|2,0,0]=4 41170 B14R1.837 C[C@@H](CO)CSCc1ncccc1F 62a_100000104219_100000059175 [0,2,0,0,0,0|2,0,0]=4 41171 B14R1.837 C[C@@H](CO)CSCc1ncccc1O 62a_100000059175_200020655725 [0,2,0,0,0,0|2,0,0]=4 41172 B14R1.837 C[C@@H](CO)CSCc1ncccc1O 62a_200020655725_100000059175 [0,2,0,0,0,0|2,0,0]=4 41173 B14R1.837 C[C@H](CF)NCCc1ccccc1Cl 270004a_100102880703_200011713468 [0,2,0,0,0,0|2,0,0]=4 41174 B14R1.837 C[C@H](CO)NCCc1ccccc1Br 2230a_100000737577_100012161201 [0,2,0,0,0,0|1,0,0]=3 41175 B14R1.837 C[C@H](CO)NCCc1ccccc1Cl 2230a_100000737577_100011713703 [0,2,0,0,0,0|1,0,0]=3 41176 B14R1.837 C[C@H](CO)NCCc1ccccc1Cl 270004a_100000737577_200011713468 [0,2,0,0,0,0|1,0,0]=3 41177 B14R1.837 C[C@H](CO)NCCc1ccccc1F 2230a_100000737577_100011713696 [0,2,0,0,0,0|1,0,0]=3 41178 B14R1.837 C[C@H](CO)SCCc1ccccc1Br 62a_100012161201_100016084084 [0,2,0,0,0,0|1,0,0]=3 41179 B14R1.837 C[C@H](CO)SCCc1ccccc1Br 62a_100016084084_100012161201 [0,2,0,0,0,0|1,0,0]=3 41180 B14R1.837 C[C@H](CO)SCCc1ccccc1Cl 62a_100011713703_100016084084 [0,2,0,0,0,0|1,0,0]=3 41181 B14R1.837 C[C@H](CO)SCCc1ccccc1Cl 62a_100016084084_100011713703 [0,2,0,0,0,0|1,0,0]=3 41182 B14R1.837 C[C@H](CO)SCCc1ccccc1F 62a_100011713696_100016084084 [0,2,0,0,0,0|1,0,0]=3 41183 B14R1.837 C[C@H](CO)SCCc1ccccc1F 62a_100016084084_100011713696 [0,2,0,0,0,0|1,0,0]=3 41184 B14R1.837 C[C@H](CO)SCCc1ccccc1O 62a_100000722297_100016084084 [0,2,0,0,0,0|1,0,0]=3 41185 B14R1.837 C[C@H](CO)SCCc1ccccc1O 62a_100016084084_100000722297 [0,2,0,0,0,0|1,0,0]=3 41186 B14R1.837 Cc1ccccc1CCNC(=O)CO 240690a_100000685071_100000210174 [0,2,0,0,0,0|1,0,1]=4 41187 B14R1.837 Cc1ccccc1CCNC(=O)CO 527a_100000685071_100000210174 [0,2,0,0,0,0|1,0,1]=4 41188 B14R1.837 Cc1ccccc1CCNC(C)CO 2230a_100000685071_100012180447 [0,2,0,0,0,0|1,0,0]=3 41189 B14R1.837 Cc1ccccc1CCNC(C)CO 34a_100000685071_100012180447 [0,2,0,0,0,0|1,0,0]=3 41190 B14R1.837 Cc1ccccc1CCN[C@H](C)CO 2230a_100000737577_100011713688 [0,2,0,0,0,0|1,0,0]=3 41191 B14R1.837 Cc1ccccc1CCOC(C)CF 34a_100016041109_100011713688 [0,2,0,0,0,0|2,0,0]=4 41192 B14R1.837 Cc1ccccc1CCOC(C)CF 7a_100016041109_100011713688 [0,2,0,0,0,0|2,0,0]=4 41193 B14R1.837 Cc1ccccc1CCOC(C)CN 34a_100000210904_100011713688 [0,2,0,0,0,0|2,0,0]=4 41194 B14R1.837 Cc1ccccc1CCOC(C)CO 34a_100011220023_100012180447 [0,2,0,0,0,0|1,0,0]=3 41195 B14R1.837 Cc1ccccc1CCOC(C)CO 7a_100011220023_100012180447 [0,2,0,0,0,0|1,0,0]=3 41196 B14R1.837 Cc1ccccc1CCSC(C)CO 62a_100012180447_100011713688 [0,2,0,0,0,0|1,0,0]=3 41197 B14R1.837 Cc1ccccc1CCS[C@H](C)CO 62a_100011713688_100016084084 [0,2,0,0,0,0|1,0,0]=3 41198 B14R1.837 Cc1ccccc1CCS[C@H](C)CO 62a_100016084084_100011713688 [0,2,0,0,0,0|1,0,0]=3 41199 B14R1.837 Cc1ccccc1CNCC(C)CO 207a_100000744482_100000211143 [0,2,0,0,0,0|1,0,0]=3 41200 B14R1.837 Cc1ccccc1CNCC(C)CO 34a_100000744482_100000211839 [0,2,0,0,0,0|1,0,0]=3 41201 B14R1.837 Cc1ccccc1CNCC(O)CO 34a_100000174972_100011219619 [0,2,0,0,0,0|1,0,0]=3 41202 B14R1.837 Cc1ccccc1CNC[C@@H](C)CO 34a_100000174972_100000059175 [0,2,0,0,0,0|1,0,0]=3 41203 B14R1.837 Cc1ccccc1CNC[C@@H](F)CO 207a_100015665980_100000211143 [0,2,0,0,0,0|1,0,0]=3 41204 B14R1.837 Cc1ccccc1CNC[C@@H](F)CO 270004a_100015665980_100000211143 [0,2,0,0,0,0|1,0,0]=3 41205 B14R1.837 Cc1ccccc1CNC[C@@H](F)CO 34a_100015665980_100000211839 [0,2,0,0,0,0|1,0,0]=3 41206 B14R1.837 Cc1ccccc1CNC[C@@H](O)CF 34a_100000174972_100015614560 [0,2,0,0,0,0|2,0,0]=4 41207 B14R1.837 Cc1ccccc1CNC[C@@H](O)CO 34a_100000174972_100009815848 [0,2,0,0,0,0|1,0,0]=3 41208 B14R1.837 Cc1ccccc1CNC[C@H](O)CO 207a_100020644852_100000211143 [0,2,0,0,0,0|1,0,0]=3 41209 B14R1.837 Cc1ccccc1CNC[C@H](O)CO 2230a_100020644852_100000211839 [0,2,0,0,0,0|1,0,0]=3 41210 B14R1.837 Cc1ccccc1COCC(C)CN 34a_100000744482_100000211839 [0,2,0,0,0,0|2,0,0]=4 41211 B14R1.837 Cc1ccccc1COCC(Cl)CCl 34a_100000033668_100000211839 [0,2,0,0,0,0|2,0,0]=4 41212 B14R1.837 Cc1ccccc1COCC(O)CO 34a_100000698903_100011219619 [0,2,0,0,0,0|1,0,0]=3 41213 B14R1.837 Cc1ccccc1COCC(O)CO 7a_100000698903_100011219619 [0,2,0,0,0,0|1,0,0]=3 41214 B14R1.837 Cc1ccccc1COC[C@@H](C)CO 34a_100000698903_100000059175 [0,2,0,0,0,0|1,0,0]=3 41215 B14R1.837 Cc1ccccc1COC[C@@H](C)CO 7a_100000698903_100000059175 [0,2,0,0,0,0|1,0,0]=3 41216 B14R1.837 Cc1ccccc1COC[C@@H](O)CF 34a_100000698903_100015614560 [0,2,0,0,0,0|2,0,0]=4 41217 B14R1.837 Cc1ccccc1COC[C@@H](O)CF 7a_100000698903_100015614560 [0,2,0,0,0,0|2,0,0]=4 41218 B14R1.837 Cc1ccccc1COC[C@@H](O)CO 34a_100000698903_100009815848 [0,2,0,0,0,0|1,0,0]=3 41219 B14R1.837 Cc1ccccc1COC[C@@H](O)CO 7a_100000698903_100009815848 [0,2,0,0,0,0|1,0,0]=3 41220 B14R1.837 Cc1ccccc1COC[C@H](F)CN 34a_100015665980_100000211839 [0,2,0,0,0,0|2,0,0]=4 41221 B14R1.837 Cc1ccccc1CSCC(O)CO 62a_100000211839_100011219619 [0,2,0,0,0,0|1,0,0]=3 41222 B14R1.837 Cc1ccccc1CSCC(O)CO 62a_100011219619_100000211839 [0,2,0,0,0,0|1,0,0]=3 41223 B14R1.837 Cc1ccccc1CSC[C@@H](C)CO 62a_100000059175_100000211839 [0,2,0,0,0,0|1,0,0]=3 41224 B14R1.837 Cc1ccccc1CSC[C@@H](C)CO 62a_100000211839_100000059175 [0,2,0,0,0,0|1,0,0]=3 41225 B14R1.837 Cc1ccccc1CSC[C@@H](O)CF 62a_100000211839_100015614560 [0,2,0,0,0,0|2,0,0]=4 41226 B14R1.837 Cc1ccccc1CSC[C@@H](O)CF 62a_100015614560_100000211839 [0,2,0,0,0,0|2,0,0]=4 41227 B14R1.837 Cc1ccccc1CSC[C@@H](O)CO 62a_100000211839_100009815848 [0,2,0,0,0,0|1,0,0]=3 41228 B14R1.837 Cc1ccccc1CSC[C@@H](O)CO 62a_100009815848_100000211839 [0,2,0,0,0,0|1,0,0]=3 41229 B14R1.837 Cc1ccccc1OCCC(=O)CO 1458a_100000210174_100000184434 [0,2,0,0,0,0|1,0,1]=4 41230 B14R1.837 Cc1cccnc1CCOC(C)CO 34a_100011997706_100012180447 [0,2,0,0,0,0|2,0,0]=4 41231 B14R1.837 Cc1cccnc1CCOC(C)CO 7a_100011997706_100012180447 [0,2,0,0,0,0|2,0,0]=4 41232 B14R1.837 Cc1cccnc1CNCC(C)CO 207a_100000744482_100000698913 [0,2,0,0,0,0|2,0,0]=4 41233 B14R1.837 Cc1cccnc1CNCC(C)CO 34a_100000744482_100000696600 [0,2,0,0,0,0|2,0,0]=4 41234 B14R1.837 Cc1cccnc1CNCC(O)CO 34a_100011223789_100011219619 [0,2,0,0,0,0|2,0,0]=4 41235 B14R1.837 Cc1cccnc1CNC[C@@H](C)CO 34a_100011223789_100000059175 [0,2,0,0,0,0|2,0,0]=4 41236 B14R1.837 Cc1cccnc1CNC[C@@H](F)CO 207a_100015665980_100000698913 [0,2,0,0,0,0|2,0,0]=4 41237 B14R1.837 Cc1cccnc1CNC[C@@H](F)CO 270004a_100015665980_100000698913 [0,2,0,0,0,0|2,0,0]=4 41238 B14R1.837 Cc1cccnc1CNC[C@@H](F)CO 34a_100015665980_100000696600 [0,2,0,0,0,0|2,0,0]=4 41239 B14R1.837 Cc1cccnc1CNC[C@@H](O)CO 34a_100011223789_100009815848 [0,2,0,0,0,0|2,0,0]=4 41240 B14R1.837 Cc1cccnc1CNC[C@H](O)CO 207a_100020644852_100000698913 [0,2,0,0,0,0|2,0,0]=4 41241 B14R1.837 Cc1cccnc1CNC[C@H](O)CO 2230a_100020644852_100000696600 [0,2,0,0,0,0|2,0,0]=4 41242 B14R1.837 Cc1cccnc1COCC(O)CO 34a_100000698912_100011219619 [0,2,0,0,0,0|2,0,0]=4 41243 B14R1.837 Cc1cccnc1COC[C@@H](C)CO 34a_100000698912_100000059175 [0,2,0,0,0,0|2,0,0]=4 41244 B14R1.837 Cc1cccnc1COC[C@@H](O)CO 34a_100000698912_100009815848 [0,2,0,0,0,0|2,0,0]=4 41245 B14R1.837 Cc1cccnc1CSCC(O)CO 62a_100000696600_100011219619 [0,2,0,0,0,0|2,0,0]=4 41246 B14R1.837 Cc1cccnc1CSCC(O)CO 62a_100011219619_100000696600 [0,2,0,0,0,0|2,0,0]=4 41247 B14R1.837 Cc1cccnc1CSC[C@@H](C)CO 62a_100000059175_100000696600 [0,2,0,0,0,0|2,0,0]=4 41248 B14R1.837 Cc1cccnc1CSC[C@@H](C)CO 62a_100000696600_100000059175 [0,2,0,0,0,0|2,0,0]=4 41249 B14R1.837 Cc1cccnc1CSC[C@@H](O)CO 62a_100000696600_100009815848 [0,2,0,0,0,0|2,0,0]=4 41250 B14R1.837 Cc1cccnc1CSC[C@@H](O)CO 62a_100009815848_100000696600 [0,2,0,0,0,0|2,0,0]=4 41251 B14R1.837 Cc1ccncc1CNCC(C)CO 207a_100000744482_100000685662 [0,2,0,0,0,0|2,0,0]=4 41252 B14R1.837 Cc1ccncc1CNCC(C)CO 34a_100000744482_100000690890 [0,2,0,0,0,0|2,0,0]=4 41253 B14R1.837 Cc1ccncc1CNC[C@@H](F)CO 207a_100015665980_100000685662 [0,2,0,0,0,0|2,0,0]=4 41254 B14R1.837 Cc1ccncc1CNC[C@@H](F)CO 270004a_100015665980_100000685662 [0,2,0,0,0,0|2,0,0]=4 41255 B14R1.837 Cc1ccncc1CNC[C@@H](F)CO 34a_100015665980_100000690890 [0,2,0,0,0,0|2,0,0]=4 41256 B14R1.837 Cc1ccncc1CNC[C@H](O)CO 207a_100020644852_100000685662 [0,2,0,0,0,0|2,0,0]=4 41257 B14R1.837 Cc1ccncc1CNC[C@H](O)CO 2230a_100020644852_100000690890 [0,2,0,0,0,0|2,0,0]=4 41258 B14R1.837 Cc1ccncc1COCC(O)CO 34a_100011996381_100011219619 [0,2,0,0,0,0|2,0,0]=4 41259 B14R1.837 Cc1ccncc1COC[C@@H](C)CO 34a_100011996381_100000059175 [0,2,0,0,0,0|2,0,0]=4 41260 B14R1.837 Cc1ccncc1COC[C@@H](O)CO 34a_100011996381_100009815848 [0,2,0,0,0,0|2,0,0]=4 41261 B14R1.837 Cc1ccncc1CSCC(O)CO 62a_100000690890_100011219619 [0,2,0,0,0,0|2,0,0]=4 41262 B14R1.837 Cc1ccncc1CSCC(O)CO 62a_100011219619_100000690890 [0,2,0,0,0,0|2,0,0]=4 41263 B14R1.837 Cc1ccncc1CSC[C@@H](C)CO 62a_100000059175_100000690890 [0,2,0,0,0,0|2,0,0]=4 41264 B14R1.837 Cc1ccncc1CSC[C@@H](C)CO 62a_100000690890_100000059175 [0,2,0,0,0,0|2,0,0]=4 41265 B14R1.837 Cc1ccncc1CSC[C@@H](O)CO 62a_100000690890_100009815848 [0,2,0,0,0,0|2,0,0]=4 41266 B14R1.837 Cc1ccncc1CSC[C@@H](O)CO 62a_100009815848_100000690890 [0,2,0,0,0,0|2,0,0]=4 41267 B14R1.837 Cc1cnccc1CNCC(C)CO 34a_100000744482_100020672809 [0,2,0,0,0,0|2,0,0]=4 41268 B14R1.837 Cc1cnccc1CNC[C@@H](F)CO 34a_100015665980_100020672809 [0,2,0,0,0,0|2,0,0]=4 41269 B14R1.837 Cc1cnccc1CNC[C@H](O)CO 2230a_100020644852_100020672808 [0,2,0,0,0,0|2,0,0]=4 41270 B14R1.837 Cc1cnccc1COCC(O)CO 34a_100011997032_100011219619 [0,2,0,0,0,0|2,0,0]=4 41271 B14R1.837 Cc1cnccc1COC[C@@H](C)CO 34a_100011997032_100000059175 [0,2,0,0,0,0|2,0,0]=4 41272 B14R1.837 Cc1cnccc1COC[C@@H](O)CO 34a_100011997032_100009815848 [0,2,0,0,0,0|2,0,0]=4 41273 B14R1.837 Cc1cnccc1CSCC(O)CO 62a_100011219619_100020672808 [0,2,0,0,0,0|2,0,0]=4 41274 B14R1.837 Cc1cnccc1CSCC(O)CO 62a_100020672808_100011219619 [0,2,0,0,0,0|2,0,0]=4 41275 B14R1.837 Cc1cnccc1CSC[C@@H](C)CO 62a_100000059175_100020672808 [0,2,0,0,0,0|2,0,0]=4 41276 B14R1.837 Cc1cnccc1CSC[C@@H](C)CO 62a_100020672808_100000059175 [0,2,0,0,0,0|2,0,0]=4 41277 B14R1.837 Cc1cnccc1CSC[C@@H](O)CO 62a_100009815848_100020672808 [0,2,0,0,0,0|2,0,0]=4 41278 B14R1.837 Cc1cnccc1CSC[C@@H](O)CO 62a_100020672808_100009815848 [0,2,0,0,0,0|2,0,0]=4 41279 B14R1.837 Cc1cnccc1NCCC(C)CO 27a_106354213184_100000765111 [0,2,0,0,0,0|2,0,0]=4 41280 B14R1.837 Cc1ncccc1CNCC(C)CO 207a_100000744482_100000751968 [0,2,0,0,0,0|2,0,0]=4 41281 B14R1.837 Cc1ncccc1CNCC(C)CO 34a_100000744482_100000732876 [0,2,0,0,0,0|2,0,0]=4 41282 B14R1.837 Cc1ncccc1CNC[C@@H](F)CO 207a_100015665980_100000751968 [0,2,0,0,0,0|2,0,0]=4 41283 B14R1.837 Cc1ncccc1CNC[C@@H](F)CO 270004a_100015665980_100000751968 [0,2,0,0,0,0|2,0,0]=4 41284 B14R1.837 Cc1ncccc1CNC[C@@H](F)CO 34a_100015665980_100000732876 [0,2,0,0,0,0|2,0,0]=4 41285 B14R1.837 Cc1ncccc1CNC[C@H](O)CO 207a_100020644852_100000751968 [0,2,0,0,0,0|2,0,0]=4 41286 B14R1.837 Cc1ncccc1CNC[C@H](O)CO 2230a_100020644852_100000732876 [0,2,0,0,0,0|2,0,0]=4 41287 B14R1.837 Cc1ncccc1COCC(O)CO 34a_100000729262_100011219619 [0,2,0,0,0,0|2,0,0]=4 41288 B14R1.837 Cc1ncccc1COCC(O)CO 7a_100000729262_100011219619 [0,2,0,0,0,0|2,0,0]=4 41289 B14R1.837 Cc1ncccc1COC[C@@H](C)CO 34a_100000729262_100000059175 [0,2,0,0,0,0|2,0,0]=4 41290 B14R1.837 Cc1ncccc1COC[C@@H](C)CO 7a_100000729262_100000059175 [0,2,0,0,0,0|2,0,0]=4 41291 B14R1.837 Cc1ncccc1COC[C@@H](O)CO 34a_100000729262_100009815848 [0,2,0,0,0,0|2,0,0]=4 41292 B14R1.837 Cc1ncccc1COC[C@@H](O)CO 7a_100000729262_100009815848 [0,2,0,0,0,0|2,0,0]=4 41293 B14R1.837 Cc1ncccc1CSCC(O)CO 62a_100000732876_100011219619 [0,2,0,0,0,0|2,0,0]=4 41294 B14R1.837 Cc1ncccc1CSCC(O)CO 62a_100011219619_100000732876 [0,2,0,0,0,0|2,0,0]=4 41295 B14R1.837 Cc1ncccc1CSC[C@@H](C)CO 62a_100000059175_100000732876 [0,2,0,0,0,0|2,0,0]=4 41296 B14R1.837 Cc1ncccc1CSC[C@@H](C)CO 62a_100000732876_100000059175 [0,2,0,0,0,0|2,0,0]=4 41297 B14R1.837 Cc1ncccc1CSC[C@@H](O)CO 62a_100000732876_100009815848 [0,2,0,0,0,0|2,0,0]=4 41298 B14R1.837 Cc1ncccc1CSC[C@@H](O)CO 62a_100009815848_100000732876 [0,2,0,0,0,0|2,0,0]=4 41299 B14R1.837 ClCC(Cl)COCc1ccccc1Br 34a_100000033668_100000184730 [0,2,0,0,0,0|2,0,0]=4 41300 B14R1.837 ClCC(Cl)COCc1ccccc1Cl 34a_100000033668_100000187162 [0,2,0,0,0,0|2,0,0]=4 41301 B14R1.837 ClCC(Cl)COCc1ccccc1I 34a_100000033668_100011215278 [0,2,0,0,0,0|2,0,0]=4 41302 B14R1.837 Fc1ccccc1COCC(Cl)CCl 34a_100000033668_100000211605 [0,2,0,0,0,0|2,0,0]=4 41303 B14R1.837 NC[C@@H](F)COCc1ccccc1Br 34a_100015665980_100000184730 [0,2,0,0,0,0|2,0,0]=4 41304 B14R1.837 NC[C@@H](F)COCc1ccccc1Cl 34a_100015665980_100000187162 [0,2,0,0,0,0|2,0,0]=4 41305 B14R1.837 NC[C@@H](F)COCc1ccccc1F 34a_100015665980_100000211605 [0,2,0,0,0,0|2,0,0]=4 41306 B14R1.837 NC[C@@H](F)COCc1ccccc1I 34a_100015665980_100011215278 [0,2,0,0,0,0|2,0,0]=4 41307 B14R1.837 Nc1ccccc1COCC(O)CO 34a_100000212039_100011219619 [0,2,0,0,0,0|1,0,0]=3 41308 B14R1.837 Nc1ccccc1COC[C@@H](O)CF 34a_100000212039_100015614560 [0,2,0,0,0,0|2,0,0]=4 41309 B14R1.837 Nc1ccccc1COC[C@@H](O)CO 34a_100000212039_100009815848 [0,2,0,0,0,0|1,0,0]=3 41310 B14R1.837 Nc1cccnc1COCC(O)CO 34a_114873767017_100011219619 [0,2,0,0,0,0|2,0,0]=4 41311 B14R1.837 Nc1cccnc1COC[C@@H](O)CO 34a_114873767017_100009815848 [0,2,0,0,0,0|2,0,0]=4 41312 B14R1.837 O=C(CF)CCCc1ccccc1Cl 1458a_100000700343_100015361967 [0,2,0,0,0,0|1,0,1]=4 41313 B14R1.837 O=C(CF)CCCc1ccccc1O 1458a_100009859317_100015361967 [0,2,0,0,0,0|1,0,1]=4 41314 B14R1.837 O=C(CO)CCCc1ccccc1Br 1458a_100000210174_200011713681 [0,2,0,0,0,0|0,0,1]=3 41315 B14R1.837 O=C(CO)CCOc1ccccc1Br 1458a_100000210174_100000695877 [0,2,0,0,0,0|1,0,1]=4 41316 B14R1.837 O=C(CO)CCOc1ccccc1F 1458a_100000210174_100000183290 [0,2,0,0,0,0|1,0,1]=4 41317 B14R1.837 O=C(CO)NCCc1ccccc1Br 240690a_100000747383_100000210174 [0,2,0,0,0,0|1,0,1]=4 41318 B14R1.837 O=C(CO)NCCc1ccccc1Br 527a_100000747383_100000210174 [0,2,0,0,0,0|1,0,1]=4 41319 B14R1.837 O=C(CO)NCCc1ccccc1Cl 240690a_100011207228_100000210174 [0,2,0,0,0,0|1,0,1]=4 41320 B14R1.837 O=C(CO)NCCc1ccccc1Cl 527a_100011207228_100000210174 [0,2,0,0,0,0|1,0,1]=4 41321 B14R1.837 O=C(CO)NCCc1ccccc1F 240690a_100000185272_100000210174 [0,2,0,0,0,0|1,0,1]=4 41322 B14R1.837 O=C(CO)NCCc1ccccc1F 527a_100000185272_100000210174 [0,2,0,0,0,0|1,0,1]=4 41323 B14R1.837 O=C(CO)NCCc1ccccc1O 240690a_100011207237_100000210174 [0,2,0,0,0,0|1,0,1]=4 41324 B14R1.837 O=C(CO)NCCc1ccccc1O 527a_100011207237_100000210174 [0,2,0,0,0,0|1,0,1]=4 41325 B14R1.837 OCC(O)CNCc1ccccc1Br 2230a_100000689332_100011219619 [0,2,0,0,0,0|1,0,0]=3 41326 B14R1.837 OCC(O)CNCc1ccccc1Br 34a_100000689332_100011219619 [0,2,0,0,0,0|1,0,0]=3 41327 B14R1.837 OCC(O)CNCc1ccccc1Cl 2230a_100000174879_100011219619 [0,2,0,0,0,0|1,0,0]=3 41328 B14R1.837 OCC(O)CNCc1ccccc1Cl 34a_100000174879_100011219619 [0,2,0,0,0,0|1,0,0]=3 41329 B14R1.837 OCC(O)CNCc1ccccc1F 34a_100000174869_100011219619 [0,2,0,0,0,0|1,0,0]=3 41330 B14R1.837 OCC(O)CNCc1ccccc1O 34a_100000185550_100011219619 [0,2,0,0,0,0|1,0,0]=3 41331 B14R1.837 OCC(O)CNCc1cccnc1Br 2230a_100009818023_100011219619 [0,2,0,0,0,0|2,0,0]=4 41332 B14R1.837 OCC(O)CNCc1cccnc1Br 34a_100009818023_100011219619 [0,2,0,0,0,0|2,0,0]=4 41333 B14R1.837 OCC(O)CNCc1cccnc1Cl 2230a_100015189234_100011219619 [0,2,0,0,0,0|2,0,0]=4 41334 B14R1.837 OCC(O)CNCc1cccnc1Cl 34a_100015189234_100011219619 [0,2,0,0,0,0|2,0,0]=4 41335 B14R1.837 OCC(O)CNCc1cccnc1F 34a_100000724633_100011219619 [0,2,0,0,0,0|2,0,0]=4 41336 B14R1.837 OCC(O)CNCc1ccncc1F 34a_100011935246_100011219619 [0,2,0,0,0,0|2,0,0]=4 41337 B14R1.837 OCC(O)CNCc1ncccc1Cl 2230a_100015189233_100011219619 [0,2,0,0,0,0|2,0,0]=4 41338 B14R1.837 OCC(O)CNCc1ncccc1F 34a_100000690088_100011219619 [0,2,0,0,0,0|2,0,0]=4 41339 B14R1.837 OCC(O)COCc1ccccc1Br 34a_100000756307_100011219619 [0,2,0,0,0,0|1,0,0]=3 41340 B14R1.837 OCC(O)COCc1ccccc1Br 7a_100000756307_100011219619 [0,2,0,0,0,0|1,0,0]=3 41341 B14R1.837 OCC(O)COCc1ccccc1Cl 34a_100000210847_100011219619 [0,2,0,0,0,0|1,0,0]=3 41342 B14R1.837 OCC(O)COCc1ccccc1Cl 7a_100000210847_100011219619 [0,2,0,0,0,0|1,0,0]=3 41343 B14R1.837 OCC(O)COCc1ccccc1F 34a_100000211962_100011219619 [0,2,0,0,0,0|1,0,0]=3 41344 B14R1.837 OCC(O)COCc1ccccc1F 7a_100000211962_100011219619 [0,2,0,0,0,0|1,0,0]=3 41345 B14R1.837 OCC(O)COCc1ccccc1I 34a_100000187465_100011219619 [0,2,0,0,0,0|1,0,0]=3 41346 B14R1.837 OCC(O)COCc1ccccc1I 7a_100000187465_100011219619 [0,2,0,0,0,0|1,0,0]=3 41347 B14R1.837 OCC(O)COCc1cccnc1Br 34a_100000719692_100011219619 [0,2,0,0,0,0|2,0,0]=4 41348 B14R1.837 OCC(O)COCc1cccnc1Br 7a_100000719692_100011219619 [0,2,0,0,0,0|2,0,0]=4 41349 B14R1.837 OCC(O)COCc1cccnc1Cl 34a_100000748726_100011219619 [0,2,0,0,0,0|2,0,0]=4 41350 B14R1.837 OCC(O)COCc1cccnc1Cl 7a_100000748726_100011219619 [0,2,0,0,0,0|2,0,0]=4 41351 B14R1.837 OCC(O)COCc1cccnc1F 34a_100000079888_100011219619 [0,2,0,0,0,0|2,0,0]=4 41352 B14R1.837 OCC(O)COCc1cccnc1F 7a_100000079888_100011219619 [0,2,0,0,0,0|2,0,0]=4 41353 B14R1.837 OCC(O)COCc1ccncc1F 34a_100012172863_100011219619 [0,2,0,0,0,0|2,0,0]=4 41354 B14R1.837 OCC(O)COCc1cnccc1Cl 34a_100000117392_100011219619 [0,2,0,0,0,0|2,0,0]=4 41355 B14R1.837 OCC(O)COCc1ncccc1Br 34a_100011996772_100011219619 [0,2,0,0,0,0|2,0,0]=4 41356 B14R1.837 OCC(O)COCc1ncccc1Cl 34a_100012002383_100011219619 [0,2,0,0,0,0|2,0,0]=4 41357 B14R1.837 OCC(O)COCc1ncccc1F 34a_100011934865_100011219619 [0,2,0,0,0,0|2,0,0]=4 41358 B14R1.837 OCC(O)CSCc1ccccc1Br 62a_100000184730_100011219619 [0,2,0,0,0,0|1,0,0]=3 41359 B14R1.837 OCC(O)CSCc1ccccc1Br 62a_100011219619_100000184730 [0,2,0,0,0,0|1,0,0]=3 41360 B14R1.837 OCC(O)CSCc1ccccc1Cl 62a_100000187162_100011219619 [0,2,0,0,0,0|1,0,0]=3 41361 B14R1.837 OCC(O)CSCc1ccccc1Cl 62a_100011219619_100000187162 [0,2,0,0,0,0|1,0,0]=3 41362 B14R1.837 OCC(O)CSCc1ccccc1F 62a_100000211605_100011219619 [0,2,0,0,0,0|1,0,0]=3 41363 B14R1.837 OCC(O)CSCc1ccccc1F 62a_100011219619_100000211605 [0,2,0,0,0,0|1,0,0]=3 41364 B14R1.837 OCC(O)CSCc1ccccc1I 62a_100011216222_100011219619 [0,2,0,0,0,0|1,0,0]=3 41365 B14R1.837 OCC(O)CSCc1ccccc1I 62a_100011219619_100011216222 [0,2,0,0,0,0|1,0,0]=3 41366 B14R1.837 OCC(O)CSCc1cccnc1Br 62a_100010140945_100011219619 [0,2,0,0,0,0|2,0,0]=4 41367 B14R1.837 OCC(O)CSCc1cccnc1Br 62a_100011219619_100010140945 [0,2,0,0,0,0|2,0,0]=4 41368 B14R1.837 OCC(O)CSCc1cccnc1Cl 62a_100000045678_100011219619 [0,2,0,0,0,0|2,0,0]=4 41369 B14R1.837 OCC(O)CSCc1cccnc1Cl 62a_100011219619_100000045678 [0,2,0,0,0,0|2,0,0]=4 41370 B14R1.837 OCC(O)CSCc1cccnc1F 62a_100000099810_100011219619 [0,2,0,0,0,0|2,0,0]=4 41371 B14R1.837 OCC(O)CSCc1cccnc1F 62a_100011219619_100000099810 [0,2,0,0,0,0|2,0,0]=4 41372 B14R1.837 OCC(O)CSCc1ccncc1Cl 62a_100000763264_100011219619 [0,2,0,0,0,0|2,0,0]=4 41373 B14R1.837 OCC(O)CSCc1ccncc1Cl 62a_100011219619_100000763264 [0,2,0,0,0,0|2,0,0]=4 41374 B14R1.837 OCC(O)CSCc1ncccc1Br 62a_100011219619_100025702911 [0,2,0,0,0,0|2,0,0]=4 41375 B14R1.837 OCC(O)CSCc1ncccc1Br 62a_100025702911_100011219619 [0,2,0,0,0,0|2,0,0]=4 41376 B14R1.837 OCC(O)CSCc1ncccc1Cl 62a_100000099807_100011219619 [0,2,0,0,0,0|2,0,0]=4 41377 B14R1.837 OCC(O)CSCc1ncccc1Cl 62a_100011219619_100000099807 [0,2,0,0,0,0|2,0,0]=4 41378 B14R1.837 OCC(O)CSCc1ncccc1F 62a_100000104219_100011219619 [0,2,0,0,0,0|2,0,0]=4 41379 B14R1.837 OCC(O)CSCc1ncccc1F 62a_100011219619_100000104219 [0,2,0,0,0,0|2,0,0]=4 41380 B14R1.837 OCC(O)CSCc1ncccc1O 62a_100011219619_200020655725 [0,2,0,0,0,0|2,0,0]=4 41381 B14R1.837 OCC(O)CSCc1ncccc1O 62a_200020655725_100011219619 [0,2,0,0,0,0|2,0,0]=4 41382 B14R1.837 OC[C@@H](O)CNCc1ccccc1Br 207a_100020644852_100000211189 [0,2,0,0,0,0|1,0,0]=3 41383 B14R1.837 OC[C@@H](O)CNCc1ccccc1Br 2230a_100020644852_100000184730 [0,2,0,0,0,0|1,0,0]=3 41384 B14R1.837 OC[C@@H](O)CNCc1ccccc1Cl 207a_100020644852_100000210073 [0,2,0,0,0,0|1,0,0]=3 41385 B14R1.837 OC[C@@H](O)CNCc1ccccc1Cl 2230a_100020644852_100000187162 [0,2,0,0,0,0|1,0,0]=3 41386 B14R1.837 OC[C@@H](O)CNCc1ccccc1F 207a_100020644852_100000210811 [0,2,0,0,0,0|1,0,0]=3 41387 B14R1.837 OC[C@@H](O)CNCc1ccccc1F 2230a_100020644852_100000211605 [0,2,0,0,0,0|1,0,0]=3 41388 B14R1.837 OC[C@@H](O)CNCc1ccccc1I 207a_100020644852_100000010305 [0,2,0,0,0,0|1,0,0]=3 41389 B14R1.837 OC[C@@H](O)CNCc1ccccc1I 2230a_100020644852_100011215278 [0,2,0,0,0,0|1,0,0]=3 41390 B14R1.837 OC[C@@H](O)CNCc1cccnc1Br 2230a_100020644852_100010140945 [0,2,0,0,0,0|2,0,0]=4 41391 B14R1.837 OC[C@@H](O)CNCc1cccnc1Cl 2230a_100020644852_100000045678 [0,2,0,0,0,0|2,0,0]=4 41392 B14R1.837 OC[C@@H](O)CNCc1cccnc1F 2230a_100020644852_100000099810 [0,2,0,0,0,0|2,0,0]=4 41393 B14R1.837 OC[C@@H](O)CNCc1cccnc1O 207a_100020644852_100011998315 [0,2,0,0,0,0|2,0,0]=4 41394 B14R1.837 OC[C@@H](O)CNCc1ccncc1Cl 207a_100020644852_100011934409 [0,2,0,0,0,0|2,0,0]=4 41395 B14R1.837 OC[C@@H](O)CNCc1ccncc1Cl 2230a_100020644852_100000763264 [0,2,0,0,0,0|2,0,0]=4 41396 B14R1.837 OC[C@@H](O)CNCc1ncccc1Br 207a_100020644852_100011934733 [0,2,0,0,0,0|2,0,0]=4 41397 B14R1.837 OC[C@@H](O)CNCc1ncccc1Br 2230a_100020644852_100025702911 [0,2,0,0,0,0|2,0,0]=4 41398 B14R1.837 OC[C@@H](O)CNCc1ncccc1Cl 207a_100020644852_100012001307 [0,2,0,0,0,0|2,0,0]=4 41399 B14R1.837 OC[C@@H](O)CNCc1ncccc1Cl 2230a_100020644852_100000099807 [0,2,0,0,0,0|2,0,0]=4 41400 B14R1.837 OC[C@@H](O)CNCc1ncccc1F 207a_100020644852_100011934734 [0,2,0,0,0,0|2,0,0]=4 41401 B14R1.837 OC[C@@H](O)CNCc1ncccc1F 2230a_100020644852_100000104219 [0,2,0,0,0,0|2,0,0]=4 41402 B14R1.837 OC[C@H](F)CNCc1ccccc1Br 207a_100015665980_100000211189 [0,2,0,0,0,0|1,0,0]=3 41403 B14R1.837 OC[C@H](F)CNCc1ccccc1Br 270004a_100015665980_100000211189 [0,2,0,0,0,0|1,0,0]=3 41404 B14R1.837 OC[C@H](F)CNCc1ccccc1Br 34a_100015665980_100000184730 [0,2,0,0,0,0|1,0,0]=3 41405 B14R1.837 OC[C@H](F)CNCc1ccccc1Cl 207a_100015665980_100000210073 [0,2,0,0,0,0|1,0,0]=3 41406 B14R1.837 OC[C@H](F)CNCc1ccccc1Cl 270004a_100015665980_100000210073 [0,2,0,0,0,0|1,0,0]=3 41407 B14R1.837 OC[C@H](F)CNCc1ccccc1Cl 34a_100015665980_100000187162 [0,2,0,0,0,0|1,0,0]=3 41408 B14R1.837 OC[C@H](F)CNCc1ccccc1F 207a_100015665980_100000210811 [0,2,0,0,0,0|1,0,0]=3 41409 B14R1.837 OC[C@H](F)CNCc1ccccc1F 270004a_100015665980_100000210811 [0,2,0,0,0,0|1,0,0]=3 41410 B14R1.837 OC[C@H](F)CNCc1ccccc1F 34a_100015665980_100000211605 [0,2,0,0,0,0|1,0,0]=3 41411 B14R1.837 OC[C@H](F)CNCc1ccccc1I 207a_100015665980_100000010305 [0,2,0,0,0,0|1,0,0]=3 41412 B14R1.837 OC[C@H](F)CNCc1ccccc1I 270004a_100015665980_100000010305 [0,2,0,0,0,0|1,0,0]=3 41413 B14R1.837 OC[C@H](F)CNCc1ccccc1I 34a_100015665980_100011215278 [0,2,0,0,0,0|1,0,0]=3 41414 B14R1.837 OC[C@H](F)CNCc1cccnc1Br 34a_100015665980_100010140945 [0,2,0,0,0,0|2,0,0]=4 41415 B14R1.837 OC[C@H](F)CNCc1cccnc1Cl 34a_100015665980_100000045678 [0,2,0,0,0,0|2,0,0]=4 41416 B14R1.837 OC[C@H](F)CNCc1cccnc1F 34a_100015665980_100000099810 [0,2,0,0,0,0|2,0,0]=4 41417 B14R1.837 OC[C@H](F)CNCc1cccnc1O 207a_100015665980_100011998315 [0,2,0,0,0,0|2,0,0]=4 41418 B14R1.837 OC[C@H](F)CNCc1cccnc1O 270004a_100015665980_100011998315 [0,2,0,0,0,0|2,0,0]=4 41419 B14R1.837 OC[C@H](F)CNCc1ccncc1Br 270004a_100015665980_100000755692 [0,2,0,0,0,0|2,0,0]=4 41420 B14R1.837 OC[C@H](F)CNCc1ccncc1Cl 207a_100015665980_100011934409 [0,2,0,0,0,0|2,0,0]=4 41421 B14R1.837 OC[C@H](F)CNCc1ccncc1Cl 270004a_100015665980_100011934409 [0,2,0,0,0,0|2,0,0]=4 41422 B14R1.837 OC[C@H](F)CNCc1cnccc1Br 270004a_100015665980_100009816821 [0,2,0,0,0,0|2,0,0]=4 41423 B14R1.837 OC[C@H](F)CNCc1cnccc1Cl 270004a_100015665980_100000050567 [0,2,0,0,0,0|2,0,0]=4 41424 B14R1.837 OC[C@H](F)CNCc1ncccc1Br 207a_100015665980_100011934733 [0,2,0,0,0,0|2,0,0]=4 41425 B14R1.837 OC[C@H](F)CNCc1ncccc1Br 270004a_100015665980_100011934733 [0,2,0,0,0,0|2,0,0]=4 41426 B14R1.837 OC[C@H](F)CNCc1ncccc1Br 34a_100015665980_100025702911 [0,2,0,0,0,0|2,0,0]=4 41427 B14R1.837 OC[C@H](F)CNCc1ncccc1Cl 207a_100015665980_100012001307 [0,2,0,0,0,0|2,0,0]=4 41428 B14R1.837 OC[C@H](F)CNCc1ncccc1Cl 270004a_100015665980_100012001307 [0,2,0,0,0,0|2,0,0]=4 41429 B14R1.837 OC[C@H](F)CNCc1ncccc1F 207a_100015665980_100011934734 [0,2,0,0,0,0|2,0,0]=4 41430 B14R1.837 OC[C@H](F)CNCc1ncccc1F 270004a_100015665980_100011934734 [0,2,0,0,0,0|2,0,0]=4 41431 B14R1.837 OC[C@H](F)CNCc1ncccc1F 34a_100015665980_100000104219 [0,2,0,0,0,0|2,0,0]=4 41432 B14R1.837 OC[C@H](F)CNCc1ncccc1O 34a_100015665980_200020655725 [0,2,0,0,0,0|2,0,0]=4 41433 B14R1.837 OC[C@H](O)CNCc1ccccc1Br 2230a_100000689332_100009815848 [0,2,0,0,0,0|1,0,0]=3 41434 B14R1.837 OC[C@H](O)CNCc1ccccc1Br 34a_100000689332_100009815848 [0,2,0,0,0,0|1,0,0]=3 41435 B14R1.837 OC[C@H](O)CNCc1ccccc1Cl 2230a_100000174879_100009815848 [0,2,0,0,0,0|1,0,0]=3 41436 B14R1.837 OC[C@H](O)CNCc1ccccc1Cl 34a_100000174879_100009815848 [0,2,0,0,0,0|1,0,0]=3 41437 B14R1.837 OC[C@H](O)CNCc1ccccc1F 34a_100000174869_100009815848 [0,2,0,0,0,0|1,0,0]=3 41438 B14R1.837 OC[C@H](O)CNCc1ccccc1O 34a_100000185550_100009815848 [0,2,0,0,0,0|1,0,0]=3 41439 B14R1.837 OC[C@H](O)CNCc1cccnc1Br 2230a_100009818023_100009815848 [0,2,0,0,0,0|2,0,0]=4 41440 B14R1.837 OC[C@H](O)CNCc1cccnc1Br 34a_100009818023_100009815848 [0,2,0,0,0,0|2,0,0]=4 41441 B14R1.837 OC[C@H](O)CNCc1cccnc1Cl 2230a_100015189234_100009815848 [0,2,0,0,0,0|2,0,0]=4 41442 B14R1.837 OC[C@H](O)CNCc1cccnc1Cl 34a_100015189234_100009815848 [0,2,0,0,0,0|2,0,0]=4 41443 B14R1.837 OC[C@H](O)CNCc1cccnc1F 34a_100000724633_100009815848 [0,2,0,0,0,0|2,0,0]=4 41444 B14R1.837 OC[C@H](O)CNCc1ccncc1F 34a_100011935246_100009815848 [0,2,0,0,0,0|2,0,0]=4 41445 B14R1.837 OC[C@H](O)CNCc1ncccc1Cl 2230a_100015189233_100009815848 [0,2,0,0,0,0|2,0,0]=4 41446 B14R1.837 OC[C@H](O)CNCc1ncccc1F 34a_100000690088_100009815848 [0,2,0,0,0,0|2,0,0]=4 41447 B14R1.837 OC[C@H](O)COCc1ccccc1Br 34a_100000756307_100009815848 [0,2,0,0,0,0|1,0,0]=3 41448 B14R1.837 OC[C@H](O)COCc1ccccc1Br 7a_100000756307_100009815848 [0,2,0,0,0,0|1,0,0]=3 41449 B14R1.837 OC[C@H](O)COCc1ccccc1Cl 34a_100000210847_100009815848 [0,2,0,0,0,0|1,0,0]=3 41450 B14R1.837 OC[C@H](O)COCc1ccccc1Cl 7a_100000210847_100009815848 [0,2,0,0,0,0|1,0,0]=3 41451 B14R1.837 OC[C@H](O)COCc1ccccc1F 34a_100000211962_100009815848 [0,2,0,0,0,0|1,0,0]=3 41452 B14R1.837 OC[C@H](O)COCc1ccccc1F 7a_100000211962_100009815848 [0,2,0,0,0,0|1,0,0]=3 41453 B14R1.837 OC[C@H](O)COCc1ccccc1I 34a_100000187465_100009815848 [0,2,0,0,0,0|1,0,0]=3 41454 B14R1.837 OC[C@H](O)COCc1ccccc1I 7a_100000187465_100009815848 [0,2,0,0,0,0|1,0,0]=3 41455 B14R1.837 OC[C@H](O)COCc1cccnc1Br 34a_100000719692_100009815848 [0,2,0,0,0,0|2,0,0]=4 41456 B14R1.837 OC[C@H](O)COCc1cccnc1Br 7a_100000719692_100009815848 [0,2,0,0,0,0|2,0,0]=4 41457 B14R1.837 OC[C@H](O)COCc1cccnc1Cl 34a_100000748726_100009815848 [0,2,0,0,0,0|2,0,0]=4 41458 B14R1.837 OC[C@H](O)COCc1cccnc1Cl 7a_100000748726_100009815848 [0,2,0,0,0,0|2,0,0]=4 41459 B14R1.837 OC[C@H](O)COCc1cccnc1F 34a_100000079888_100009815848 [0,2,0,0,0,0|2,0,0]=4 41460 B14R1.837 OC[C@H](O)COCc1cccnc1F 7a_100000079888_100009815848 [0,2,0,0,0,0|2,0,0]=4 41461 B14R1.837 OC[C@H](O)COCc1ccncc1F 34a_100012172863_100009815848 [0,2,0,0,0,0|2,0,0]=4 41462 B14R1.837 OC[C@H](O)COCc1cnccc1Cl 34a_100000117392_100009815848 [0,2,0,0,0,0|2,0,0]=4 41463 B14R1.837 OC[C@H](O)COCc1ncccc1Br 34a_100011996772_100009815848 [0,2,0,0,0,0|2,0,0]=4 41464 B14R1.837 OC[C@H](O)COCc1ncccc1Cl 34a_100012002383_100009815848 [0,2,0,0,0,0|2,0,0]=4 41465 B14R1.837 OC[C@H](O)COCc1ncccc1F 34a_100011934865_100009815848 [0,2,0,0,0,0|2,0,0]=4 41466 B14R1.837 OC[C@H](O)CSCc1ccccc1Br 62a_100000184730_100009815848 [0,2,0,0,0,0|1,0,0]=3 41467 B14R1.837 OC[C@H](O)CSCc1ccccc1Br 62a_100009815848_100000184730 [0,2,0,0,0,0|1,0,0]=3 41468 B14R1.837 OC[C@H](O)CSCc1ccccc1Cl 62a_100000187162_100009815848 [0,2,0,0,0,0|1,0,0]=3 41469 B14R1.837 OC[C@H](O)CSCc1ccccc1Cl 62a_100009815848_100000187162 [0,2,0,0,0,0|1,0,0]=3 41470 B14R1.837 OC[C@H](O)CSCc1ccccc1F 62a_100000211605_100009815848 [0,2,0,0,0,0|1,0,0]=3 41471 B14R1.837 OC[C@H](O)CSCc1ccccc1F 62a_100009815848_100000211605 [0,2,0,0,0,0|1,0,0]=3 41472 B14R1.837 OC[C@H](O)CSCc1ccccc1I 62a_100009815848_100011216222 [0,2,0,0,0,0|1,0,0]=3 41473 B14R1.837 OC[C@H](O)CSCc1ccccc1I 62a_100011216222_100009815848 [0,2,0,0,0,0|1,0,0]=3 41474 B14R1.837 OC[C@H](O)CSCc1cccnc1Br 62a_100009815848_100010140945 [0,2,0,0,0,0|2,0,0]=4 41475 B14R1.837 OC[C@H](O)CSCc1cccnc1Br 62a_100010140945_100009815848 [0,2,0,0,0,0|2,0,0]=4 41476 B14R1.837 OC[C@H](O)CSCc1cccnc1Cl 62a_100000045678_100009815848 [0,2,0,0,0,0|2,0,0]=4 41477 B14R1.837 OC[C@H](O)CSCc1cccnc1Cl 62a_100009815848_100000045678 [0,2,0,0,0,0|2,0,0]=4 41478 B14R1.837 OC[C@H](O)CSCc1cccnc1F 62a_100000099810_100009815848 [0,2,0,0,0,0|2,0,0]=4 41479 B14R1.837 OC[C@H](O)CSCc1cccnc1F 62a_100009815848_100000099810 [0,2,0,0,0,0|2,0,0]=4 41480 B14R1.837 OC[C@H](O)CSCc1ccncc1Cl 62a_100000763264_100009815848 [0,2,0,0,0,0|2,0,0]=4 41481 B14R1.837 OC[C@H](O)CSCc1ccncc1Cl 62a_100009815848_100000763264 [0,2,0,0,0,0|2,0,0]=4 41482 B14R1.837 OC[C@H](O)CSCc1ncccc1Br 62a_100009815848_100025702911 [0,2,0,0,0,0|2,0,0]=4 41483 B14R1.837 OC[C@H](O)CSCc1ncccc1Br 62a_100025702911_100009815848 [0,2,0,0,0,0|2,0,0]=4 41484 B14R1.837 OC[C@H](O)CSCc1ncccc1Cl 62a_100000099807_100009815848 [0,2,0,0,0,0|2,0,0]=4 41485 B14R1.837 OC[C@H](O)CSCc1ncccc1Cl 62a_100009815848_100000099807 [0,2,0,0,0,0|2,0,0]=4 41486 B14R1.837 OC[C@H](O)CSCc1ncccc1F 62a_100000104219_100009815848 [0,2,0,0,0,0|2,0,0]=4 41487 B14R1.837 OC[C@H](O)CSCc1ncccc1F 62a_100009815848_100000104219 [0,2,0,0,0,0|2,0,0]=4 41488 B14R1.837 OC[C@H](O)CSCc1ncccc1O 62a_100009815848_200020655725 [0,2,0,0,0,0|2,0,0]=4 41489 B14R1.837 OC[C@H](O)CSCc1ncccc1O 62a_200020655725_100009815848 [0,2,0,0,0,0|2,0,0]=4 41490 B14R1.837 O[C@@H](CF)CNCc1ccccc1Br 2230a_100000689332_100015614560 [0,2,0,0,0,0|2,0,0]=4 41491 B14R1.837 O[C@@H](CF)CNCc1ccccc1Br 34a_100000689332_100015614560 [0,2,0,0,0,0|2,0,0]=4 41492 B14R1.837 O[C@@H](CF)CNCc1ccccc1Cl 2230a_100000174879_100015614560 [0,2,0,0,0,0|2,0,0]=4 41493 B14R1.837 O[C@@H](CF)CNCc1ccccc1Cl 34a_100000174879_100015614560 [0,2,0,0,0,0|2,0,0]=4 41494 B14R1.837 O[C@@H](CF)CNCc1ccccc1F 34a_100000174869_100015614560 [0,2,0,0,0,0|2,0,0]=4 41495 B14R1.837 O[C@@H](CF)COCc1ccccc1Br 34a_100000756307_100015614560 [0,2,0,0,0,0|2,0,0]=4 41496 B14R1.837 O[C@@H](CF)COCc1ccccc1Br 7a_100000756307_100015614560 [0,2,0,0,0,0|2,0,0]=4 41497 B14R1.837 O[C@@H](CF)COCc1ccccc1Cl 34a_100000210847_100015614560 [0,2,0,0,0,0|2,0,0]=4 41498 B14R1.837 O[C@@H](CF)COCc1ccccc1Cl 7a_100000210847_100015614560 [0,2,0,0,0,0|2,0,0]=4 41499 B14R1.837 O[C@@H](CF)COCc1ccccc1F 34a_100000211962_100015614560 [0,2,0,0,0,0|2,0,0]=4 41500 B14R1.837 O[C@@H](CF)COCc1ccccc1F 7a_100000211962_100015614560 [0,2,0,0,0,0|2,0,0]=4 41501 B14R1.837 O[C@@H](CF)COCc1ccccc1I 34a_100000187465_100015614560 [0,2,0,0,0,0|2,0,0]=4 41502 B14R1.837 O[C@@H](CF)COCc1ccccc1I 7a_100000187465_100015614560 [0,2,0,0,0,0|2,0,0]=4 41503 B14R1.837 O[C@@H](CF)CSCc1ccccc1Br 62a_100000184730_100015614560 [0,2,0,0,0,0|2,0,0]=4 41504 B14R1.837 O[C@@H](CF)CSCc1ccccc1Br 62a_100015614560_100000184730 [0,2,0,0,0,0|2,0,0]=4 41505 B14R1.837 O[C@@H](CF)CSCc1ccccc1Cl 62a_100000187162_100015614560 [0,2,0,0,0,0|2,0,0]=4 41506 B14R1.837 O[C@@H](CF)CSCc1ccccc1Cl 62a_100015614560_100000187162 [0,2,0,0,0,0|2,0,0]=4 41507 B14R1.837 O[C@@H](CF)CSCc1ccccc1F 62a_100000211605_100015614560 [0,2,0,0,0,0|2,0,0]=4 41508 B14R1.837 O[C@@H](CF)CSCc1ccccc1F 62a_100015614560_100000211605 [0,2,0,0,0,0|2,0,0]=4 41509 B14R1.837 O[C@@H](CF)CSCc1ccccc1I 62a_100011216222_100015614560 [0,2,0,0,0,0|2,0,0]=4 41510 B14R1.837 O[C@@H](CF)CSCc1ccccc1I 62a_100015614560_100011216222 [0,2,0,0,0,0|2,0,0]=4 41511 B14R1.837 Oc1ccccc1CNC[C@@H](O)CF 34a_100000185550_100015614560 [0,2,0,0,0,0|2,0,0]=4 41512 B14R1.20339 BrCCCOCc1c(cccc1I)Br 34a_100011217188_100010146611 [0,2,0,0,0,0|2,0,0]=4 41513 B14R1.20339 CCCCCNc1c(cccc1Br)Br 34a_100000690995_100000718602 [0,2,0,0,0,0|2,0,0]=4 41514 B14R1.20339 CCCCCNc1c(cccc1Br)C 34a_100011834072_100000718602 [0,2,0,0,0,0|2,0,0]=4 41515 B14R1.20339 CCCCCNc1c(cccc1Br)Cl 34a_100102946385_100000718602 [0,2,0,0,0,0|2,0,0]=4 41516 B14R1.20339 CCCCCNc1c(cccc1Br)F 34a_100000684712_100000718602 [0,2,0,0,0,0|2,0,0]=4 41517 B14R1.20339 CCCCCNc1c(cccc1Br)O 34a_100011934926_100000718602 [0,2,0,0,0,0|2,0,0]=4 41518 B14R1.20339 CCCCCNc1c(cccc1C)C 34a_100000185769_100000718602 [0,2,0,0,0,0|2,0,0]=4 41519 B14R1.20339 CCCCCNc1c(cccc1Cl)C 34a_100000756524_100000718602 [0,2,0,0,0,0|2,0,0]=4 41520 B14R1.20339 CCCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000718602 [0,2,0,0,0,0|2,0,0]=4 41521 B14R1.20339 CCCCCNc1c(cccc1Cl)F 34a_100000760031_100000718602 [0,2,0,0,0,0|2,0,0]=4 41522 B14R1.20339 CCCCCNc1c(cccc1Cl)O 34a_100012022510_100000718602 [0,2,0,0,0,0|2,0,0]=4 41523 B14R1.20339 CCCCCNc1c(cccc1F)C 34a_100000766463_100000718602 [0,2,0,0,0,0|2,0,0]=4 41524 B14R1.20339 CCCCCNc1c(cccc1F)F 2230a_100000210704_100000210326 [0,2,0,0,0,0|2,0,0]=4 41525 B14R1.20339 CCCCCNc1c(cccc1F)F 34a_100000210704_100000718602 [0,2,0,0,0,0|2,0,0]=4 41526 B14R1.20339 CCCCCNc1c(cccc1F)O 34a_100020591140_100000718602 [0,2,0,0,0,0|2,0,0]=4 41527 B14R1.20339 CCCCCNc1c(cccc1I)F 34a_100000042321_100000718602 [0,2,0,0,0,0|2,0,0]=4 41528 B14R1.20339 CCCCCNc1c(cccc1O)C 34a_100000743429_100000718602 [0,2,0,0,0,0|2,0,0]=4 41529 B14R1.20339 CCCCCOc1c(cccc1Br)Br 34a_100000736428_100000718602 [0,2,0,0,0,0|2,0,0]=4 41530 B14R1.20339 CCCCCOc1c(cccc1Br)Br 7a_100000736428_100000210326 [0,2,0,0,0,0|2,0,0]=4 41531 B14R1.20339 CCCCCOc1c(cccc1Br)C 34a_100009817157_100000718602 [0,2,0,0,0,0|2,0,0]=4 41532 B14R1.20339 CCCCCOc1c(cccc1Br)C 7a_100009817157_100000210326 [0,2,0,0,0,0|2,0,0]=4 41533 B14R1.20339 CCCCCOc1c(cccc1Br)Cl 34a_100010214474_100000718602 [0,2,0,0,0,0|2,0,0]=4 41534 B14R1.20339 CCCCCOc1c(cccc1Br)Cl 7a_100010214474_100000210326 [0,2,0,0,0,0|2,0,0]=4 41535 B14R1.20339 CCCCCOc1c(cccc1Br)F 34a_100009813666_100000718602 [0,2,0,0,0,0|2,0,0]=4 41536 B14R1.20339 CCCCCOc1c(cccc1Br)F 7a_100009813666_100000210326 [0,2,0,0,0,0|2,0,0]=4 41537 B14R1.20339 CCCCCOc1c(cccc1Br)N 34a_100011934915_100000718602 [0,2,0,0,0,0|2,0,0]=4 41538 B14R1.20339 CCCCCOc1c(cccc1C)C 34a_100000210341_100000718602 [0,2,0,0,0,0|2,0,0]=4 41539 B14R1.20339 CCCCCOc1c(cccc1C)C 7a_100000210341_100000210326 [0,2,0,0,0,0|2,0,0]=4 41540 B14R1.20339 CCCCCOc1c(cccc1Cl)C 34a_100000033731_100000718602 [0,2,0,0,0,0|2,0,0]=4 41541 B14R1.20339 CCCCCOc1c(cccc1Cl)C 7a_100000033731_100000210326 [0,2,0,0,0,0|2,0,0]=4 41542 B14R1.20339 CCCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000718602 [0,2,0,0,0,0|2,0,0]=4 41543 B14R1.20339 CCCCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210326 [0,2,0,0,0,0|2,0,0]=4 41544 B14R1.20339 CCCCCOc1c(cccc1Cl)F 34a_100000694953_100000718602 [0,2,0,0,0,0|2,0,0]=4 41545 B14R1.20339 CCCCCOc1c(cccc1Cl)F 7a_100000694953_100000210326 [0,2,0,0,0,0|2,0,0]=4 41546 B14R1.20339 CCCCCOc1c(cccc1Cl)N 34a_100000754742_100000718602 [0,2,0,0,0,0|2,0,0]=4 41547 B14R1.20339 CCCCCOc1c(cccc1F)C 34a_100011659162_100000718602 [0,2,0,0,0,0|2,0,0]=4 41548 B14R1.20339 CCCCCOc1c(cccc1F)C 7a_100011659162_100000210326 [0,2,0,0,0,0|2,0,0]=4 41549 B14R1.20339 CCCCCOc1c(cccc1F)F 34a_100000230165_100000718602 [0,2,0,0,0,0|2,0,0]=4 41550 B14R1.20339 CCCCCOc1c(cccc1F)F 7a_100000230165_100000210326 [0,2,0,0,0,0|2,0,0]=4 41551 B14R1.20339 CCCCCOc1c(cccc1F)N 34a_100011934987_100000718602 [0,2,0,0,0,0|2,0,0]=4 41552 B14R1.20339 CCCCCOc1c(cccc1I)Br 34a_100010084509_100000718602 [0,2,0,0,0,0|2,0,0]=4 41553 B14R1.20339 CCCCCOc1c(cccc1I)Br 7a_100010084509_100000210326 [0,2,0,0,0,0|2,0,0]=4 41554 B14R1.20339 CCCCCOc1c(cccc1I)Cl 34a_100010202889_100000718602 [0,2,0,0,0,0|2,0,0]=4 41555 B14R1.20339 CCCCCOc1c(cccc1I)Cl 7a_100010202889_100000210326 [0,2,0,0,0,0|2,0,0]=4 41556 B14R1.20339 CCCCCOc1c(cccc1I)F 34a_100010186298_100000718602 [0,2,0,0,0,0|2,0,0]=4 41557 B14R1.20339 CCCCCOc1c(cccc1I)F 7a_100010186298_100000210326 [0,2,0,0,0,0|2,0,0]=4 41558 B14R1.20339 CCCCCOc1c(cccc1I)N 34a_100010084371_100000718602 [0,2,0,0,0,0|2,0,0]=4 41559 B14R1.20339 CCCCCOc1c(cccc1N)C 34a_100000756359_100000718602 [0,2,0,0,0,0|2,0,0]=4 41560 B14R1.20339 CCCCCOc1c(cccc1N)C 7a_100000756359_100000210326 [0,2,0,0,0,0|2,0,0]=4 41561 B14R1.20339 CCCCCOc1c(cccc1N)N 34a_200016994477_100000718602 [0,2,0,0,0,0|2,0,0]=4 41562 B14R1.20339 CCCCCSc1c(cccc1Br)Br 62a_100000210326_100009994525 [0,2,0,0,0,0|2,0,0]=4 41563 B14R1.20339 CCCCCSc1c(cccc1Br)Br 62a_100009994525_100000210326 [0,2,0,0,0,0|2,0,0]=4 41564 B14R1.20339 CCCCCSc1c(cccc1Br)C 62a_100000210326_100010141302 [0,2,0,0,0,0|2,0,0]=4 41565 B14R1.20339 CCCCCSc1c(cccc1Br)C 62a_100010141302_100000210326 [0,2,0,0,0,0|2,0,0]=4 41566 B14R1.20339 CCCCCSc1c(cccc1Br)Cl 62a_100000210326_100010214488 [0,2,0,0,0,0|2,0,0]=4 41567 B14R1.20339 CCCCCSc1c(cccc1Br)Cl 62a_100010214488_100000210326 [0,2,0,0,0,0|2,0,0]=4 41568 B14R1.20339 CCCCCSc1c(cccc1Br)F 62a_100000210326_100011219512 [0,2,0,0,0,0|2,0,0]=4 41569 B14R1.20339 CCCCCSc1c(cccc1Br)F 62a_100011219512_100000210326 [0,2,0,0,0,0|2,0,0]=4 41570 B14R1.20339 CCCCCSc1c(cccc1Br)N 62a_100000210326_100020590159 [0,2,0,0,0,0|2,0,0]=4 41571 B14R1.20339 CCCCCSc1c(cccc1Br)N 62a_100020590159_100000210326 [0,2,0,0,0,0|2,0,0]=4 41572 B14R1.20339 CCCCCSc1c(cccc1Br)O 62a_100000210326_100010187912 [0,2,0,0,0,0|2,0,0]=4 41573 B14R1.20339 CCCCCSc1c(cccc1Br)O 62a_100010187912_100000210326 [0,2,0,0,0,0|2,0,0]=4 41574 B14R1.20339 CCCCCSc1c(cccc1C)C 62a_100000033847_100000210326 [0,2,0,0,0,0|2,0,0]=4 41575 B14R1.20339 CCCCCSc1c(cccc1C)C 62a_100000210326_100000033847 [0,2,0,0,0,0|2,0,0]=4 41576 B14R1.20339 CCCCCSc1c(cccc1Cl)C 62a_100000043165_100000210326 [0,2,0,0,0,0|2,0,0]=4 41577 B14R1.20339 CCCCCSc1c(cccc1Cl)C 62a_100000210326_100000043165 [0,2,0,0,0,0|2,0,0]=4 41578 B14R1.20339 CCCCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210326 [0,2,0,0,0,0|2,0,0]=4 41579 B14R1.20339 CCCCCSc1c(cccc1Cl)Cl 62a_100000210326_100000034237 [0,2,0,0,0,0|2,0,0]=4 41580 B14R1.20339 CCCCCSc1c(cccc1Cl)F 62a_100000050007_100000210326 [0,2,0,0,0,0|2,0,0]=4 41581 B14R1.20339 CCCCCSc1c(cccc1Cl)F 62a_100000210326_100000050007 [0,2,0,0,0,0|2,0,0]=4 41582 B14R1.20339 CCCCCSc1c(cccc1Cl)N 62a_100000049713_100000210326 [0,2,0,0,0,0|2,0,0]=4 41583 B14R1.20339 CCCCCSc1c(cccc1Cl)N 62a_100000210326_100000049713 [0,2,0,0,0,0|2,0,0]=4 41584 B14R1.20339 CCCCCSc1c(cccc1Cl)O 62a_100000210326_100000050174 [0,2,0,0,0,0|2,0,0]=4 41585 B14R1.20339 CCCCCSc1c(cccc1F)C 62a_100000210326_100011218421 [0,2,0,0,0,0|2,0,0]=4 41586 B14R1.20339 CCCCCSc1c(cccc1F)C 62a_100011218421_100000210326 [0,2,0,0,0,0|2,0,0]=4 41587 B14R1.20339 CCCCCSc1c(cccc1F)F 62a_100000210326_100000693133 [0,2,0,0,0,0|2,0,0]=4 41588 B14R1.20339 CCCCCSc1c(cccc1F)F 62a_100000693133_100000210326 [0,2,0,0,0,0|2,0,0]=4 41589 B14R1.20339 CCCCCSc1c(cccc1F)N 62a_100000210326_100000690935 [0,2,0,0,0,0|2,0,0]=4 41590 B14R1.20339 CCCCCSc1c(cccc1F)N 62a_100000690935_100000210326 [0,2,0,0,0,0|2,0,0]=4 41591 B14R1.20339 CCCCCSc1c(cccc1F)O 62a_100000210326_100009820682 [0,2,0,0,0,0|2,0,0]=4 41592 B14R1.20339 CCCCCSc1c(cccc1F)O 62a_100009820682_100000210326 [0,2,0,0,0,0|2,0,0]=4 41593 B14R1.20339 CCCCCSc1c(cccc1N)C 62a_100000210326_100000684715 [0,2,0,0,0,0|2,0,0]=4 41594 B14R1.20339 CCCCCSc1c(cccc1N)C 62a_100000684715_100000210326 [0,2,0,0,0,0|2,0,0]=4 41595 B14R1.20339 CCCCCSc1c(cccc1O)C 62a_100000210326_100000686692 [0,2,0,0,0,0|2,0,0]=4 41596 B14R1.20339 CCCCCSc1c(cccc1O)C 62a_100000686692_100000210326 [0,2,0,0,0,0|2,0,0]=4 41597 B14R1.20339 CCCCCSc1c(cccc1O)N 62a_100000210326_100012183704 [0,2,0,0,0,0|2,0,0]=4 41598 B14R1.20339 CCCCCSc1c(cccc1O)N 62a_100012183704_100000210326 [0,2,0,0,0,0|2,0,0]=4 41599 B14R1.20339 CCCCCSc1c(cccc1O)O 62a_100000210326_100010205330 [0,2,0,0,0,0|2,0,0]=4 41600 B14R1.20339 CCCCNCc1c(cccc1Br)Br 207a_100000102301_100010233043 [0,2,0,0,0,0|2,0,0]=4 41601 B14R1.20339 CCCCNCc1c(cccc1Br)Br 270004a_100000102301_100010233043 [0,2,0,0,0,0|2,0,0]=4 41602 B14R1.20339 CCCCNCc1c(cccc1Br)C 207a_100000102301_100009881667 [0,2,0,0,0,0|2,0,0]=4 41603 B14R1.20339 CCCCNCc1c(cccc1Br)C 2230a_100000102301_100010146847 [0,2,0,0,0,0|2,0,0]=4 41604 B14R1.20339 CCCCNCc1c(cccc1Br)C 270004a_100000102301_100009881667 [0,2,0,0,0,0|2,0,0]=4 41605 B14R1.20339 CCCCNCc1c(cccc1Br)C 7a_106832991798_100010146847 [0,2,0,0,0,0|2,0,0]=4 41606 B14R1.20339 CCCCNCc1c(cccc1Br)Cl 207a_100000102301_100011249081 [0,2,0,0,0,0|2,0,0]=4 41607 B14R1.20339 CCCCNCc1c(cccc1Br)Cl 2230a_100000102301_100010138402 [0,2,0,0,0,0|2,0,0]=4 41608 B14R1.20339 CCCCNCc1c(cccc1Br)Cl 270004a_100000102301_100011249081 [0,2,0,0,0,0|2,0,0]=4 41609 B14R1.20339 CCCCNCc1c(cccc1Br)Cl 7a_106832991798_100010138402 [0,2,0,0,0,0|2,0,0]=4 41610 B14R1.20339 CCCCNCc1c(cccc1Br)F 207a_100000102301_100000752695 [0,2,0,0,0,0|2,0,0]=4 41611 B14R1.20339 CCCCNCc1c(cccc1Br)F 2230a_100000102301_100012145669 [0,2,0,0,0,0|2,0,0]=4 41612 B14R1.20339 CCCCNCc1c(cccc1Br)F 270004a_100000102301_100000752695 [0,2,0,0,0,0|2,0,0]=4 41613 B14R1.20339 CCCCNCc1c(cccc1Br)F 34a_100012349121_100000210210 [0,2,0,0,0,0|2,0,0]=4 41614 B14R1.20339 CCCCNCc1c(cccc1Br)F 7a_106832991798_100000696636 [0,2,0,0,0,0|2,0,0]=4 41615 B14R1.20339 CCCCNCc1c(cccc1C)C 207a_100000102301_100000758299 [0,2,0,0,0,0|2,0,0]=4 41616 B14R1.20339 CCCCNCc1c(cccc1C)C 2230a_100000102301_100000758300 [0,2,0,0,0,0|2,0,0]=4 41617 B14R1.20339 CCCCNCc1c(cccc1C)C 270004a_100000102301_100000758299 [0,2,0,0,0,0|2,0,0]=4 41618 B14R1.20339 CCCCNCc1c(cccc1C)C 34a_100000689800_100000210210 [0,2,0,0,0,0|2,0,0]=4 41619 B14R1.20339 CCCCNCc1c(cccc1C)C 7a_106832991798_100000758300 [0,2,0,0,0,0|2,0,0]=4 41620 B14R1.20339 CCCCNCc1c(cccc1Cl)C 207a_100000102301_100000041122 [0,2,0,0,0,0|2,0,0]=4 41621 B14R1.20339 CCCCNCc1c(cccc1Cl)C 270004a_100000102301_100000041122 [0,2,0,0,0,0|2,0,0]=4 41622 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl 207a_100000102301_100000189306 [0,2,0,0,0,0|2,0,0]=4 41623 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl 2230a_100000102301_100000187851 [0,2,0,0,0,0|2,0,0]=4 41624 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210211 [0,2,0,0,0,0|2,0,0]=4 41625 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl 270004a_100000102301_100000189306 [0,2,0,0,0,0|2,0,0]=4 41626 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210210 [0,2,0,0,0,0|2,0,0]=4 41627 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl 7a_106832991798_100000187851 [0,2,0,0,0,0|2,0,0]=4 41628 B14R1.20339 CCCCNCc1c(cccc1Cl)F 207a_100000102301_100000210083 [0,2,0,0,0,0|2,0,0]=4 41629 B14R1.20339 CCCCNCc1c(cccc1Cl)F 2230a_100000102301_100000187852 [0,2,0,0,0,0|2,0,0]=4 41630 B14R1.20339 CCCCNCc1c(cccc1Cl)F 270004a_100000102301_100000210083 [0,2,0,0,0,0|2,0,0]=4 41631 B14R1.20339 CCCCNCc1c(cccc1Cl)F 34a_100000174883_100000210210 [0,2,0,0,0,0|2,0,0]=4 41632 B14R1.20339 CCCCNCc1c(cccc1Cl)F 7a_106832991798_100000187852 [0,2,0,0,0,0|2,0,0]=4 41633 B14R1.20339 CCCCNCc1c(cccc1F)C 207a_100000102301_100000069827 [0,2,0,0,0,0|2,0,0]=4 41634 B14R1.20339 CCCCNCc1c(cccc1F)C 2230a_100000102301_100009814554 [0,2,0,0,0,0|2,0,0]=4 41635 B14R1.20339 CCCCNCc1c(cccc1F)C 270004a_100000102301_100000069827 [0,2,0,0,0,0|2,0,0]=4 41636 B14R1.20339 CCCCNCc1c(cccc1F)C 34a_100000762012_100000210210 [0,2,0,0,0,0|2,0,0]=4 41637 B14R1.20339 CCCCNCc1c(cccc1F)C 7a_106832991798_100009814554 [0,2,0,0,0,0|2,0,0]=4 41638 B14R1.20339 CCCCNCc1c(cccc1F)F 207a_100000102301_100000211061 [0,2,0,0,0,0|2,0,0]=4 41639 B14R1.20339 CCCCNCc1c(cccc1F)F 2230a_100000102301_100000698325 [0,2,0,0,0,0|2,0,0]=4 41640 B14R1.20339 CCCCNCc1c(cccc1F)F 270004a_100000102301_100000211061 [0,2,0,0,0,0|2,0,0]=4 41641 B14R1.20339 CCCCNCc1c(cccc1F)F 34a_100000688400_100000210210 [0,2,0,0,0,0|2,0,0]=4 41642 B14R1.20339 CCCCNCc1c(cccc1F)F 7a_106832991798_100000698325 [0,2,0,0,0,0|2,0,0]=4 41643 B14R1.20339 CCCCNCc1c(cccc1I)Br 2230a_100000102301_100010146611 [0,2,0,0,0,0|2,0,0]=4 41644 B14R1.20339 CCCCNCc1c(cccc1I)Br 7a_106832991798_100010146611 [0,2,0,0,0,0|2,0,0]=4 41645 B14R1.20339 CCCCNCc1c(cccc1I)C 2230a_100000102301_100010150146 [0,2,0,0,0,0|2,0,0]=4 41646 B14R1.20339 CCCCNCc1c(cccc1I)C 7a_106832991798_100010150146 [0,2,0,0,0,0|2,0,0]=4 41647 B14R1.20339 CCCCNCc1c(cccc1I)Cl 207a_100000102301_100010147682 [0,2,0,0,0,0|2,0,0]=4 41648 B14R1.20339 CCCCNCc1c(cccc1I)Cl 270004a_100000102301_100010147682 [0,2,0,0,0,0|2,0,0]=4 41649 B14R1.20339 CCCCNCc1c(cccc1I)F 207a_100000102301_100010178011 [0,2,0,0,0,0|2,0,0]=4 41650 B14R1.20339 CCCCNCc1c(cccc1I)F 2230a_100000102301_100010149602 [0,2,0,0,0,0|2,0,0]=4 41651 B14R1.20339 CCCCNCc1c(cccc1I)F 270004a_100000102301_100010178011 [0,2,0,0,0,0|2,0,0]=4 41652 B14R1.20339 CCCCNCc1c(cccc1I)F 7a_106832991798_100010149602 [0,2,0,0,0,0|2,0,0]=4 41653 B14R1.20339 CCCCOCc1c(cccc1Br)Br 34a_100010172814_100000210210 [0,2,0,0,0,0|2,0,0]=4 41654 B14R1.20339 CCCCOCc1c(cccc1Br)Br 7a_100010172814_100000210211 [0,2,0,0,0,0|2,0,0]=4 41655 B14R1.20339 CCCCOCc1c(cccc1Br)C 34a_100000210227_100010146847 [0,2,0,0,0,0|2,0,0]=4 41656 B14R1.20339 CCCCOCc1c(cccc1Br)C 7a_100000210227_100010146847 [0,2,0,0,0,0|2,0,0]=4 41657 B14R1.20339 CCCCOCc1c(cccc1Br)Cl 34a_100000210227_100010138402 [0,2,0,0,0,0|2,0,0]=4 41658 B14R1.20339 CCCCOCc1c(cccc1Br)Cl 7a_100000210227_100010138402 [0,2,0,0,0,0|2,0,0]=4 41659 B14R1.20339 CCCCOCc1c(cccc1Br)F 34a_100000210227_100012145669 [0,2,0,0,0,0|2,0,0]=4 41660 B14R1.20339 CCCCOCc1c(cccc1Br)F 34a_100012355691_100000210210 [0,2,0,0,0,0|2,0,0]=4 41661 B14R1.20339 CCCCOCc1c(cccc1Br)F 7a_100000210227_100000696636 [0,2,0,0,0,0|2,0,0]=4 41662 B14R1.20339 CCCCOCc1c(cccc1Br)F 7a_100012355691_100000210211 [0,2,0,0,0,0|2,0,0]=4 41663 B14R1.20339 CCCCOCc1c(cccc1Br)N 34a_100000747656_100000210210 [0,2,0,0,0,0|2,0,0]=4 41664 B14R1.20339 CCCCOCc1c(cccc1C)C 34a_100000210227_100000758300 [0,2,0,0,0,0|2,0,0]=4 41665 B14R1.20339 CCCCOCc1c(cccc1C)C 34a_100011933981_100000210210 [0,2,0,0,0,0|2,0,0]=4 41666 B14R1.20339 CCCCOCc1c(cccc1C)C 7a_100000210227_100000758300 [0,2,0,0,0,0|2,0,0]=4 41667 B14R1.20339 CCCCOCc1c(cccc1C)C 7a_100011933981_100000210211 [0,2,0,0,0,0|2,0,0]=4 41668 B14R1.20339 CCCCOCc1c(cccc1Cl)C 34a_100000082531_100000210210 [0,2,0,0,0,0|2,0,0]=4 41669 B14R1.20339 CCCCOCc1c(cccc1Cl)C 7a_100000082531_100000210211 [0,2,0,0,0,0|2,0,0]=4 41670 B14R1.20339 CCCCOCc1c(cccc1Cl)Cl 34a_100000210227_100000187851 [0,2,0,0,0,0|2,0,0]=4 41671 B14R1.20339 CCCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000210210 [0,2,0,0,0,0|2,0,0]=4 41672 B14R1.20339 CCCCOCc1c(cccc1Cl)Cl 7a_100000210227_100000187851 [0,2,0,0,0,0|2,0,0]=4 41673 B14R1.20339 CCCCOCc1c(cccc1Cl)Cl 7a_100000215722_100000210211 [0,2,0,0,0,0|2,0,0]=4 41674 B14R1.20339 CCCCOCc1c(cccc1Cl)F 34a_100000210227_100000187852 [0,2,0,0,0,0|2,0,0]=4 41675 B14R1.20339 CCCCOCc1c(cccc1Cl)F 34a_100000215723_100000210210 [0,2,0,0,0,0|2,0,0]=4 41676 B14R1.20339 CCCCOCc1c(cccc1Cl)F 7a_100000210227_100000187852 [0,2,0,0,0,0|2,0,0]=4 41677 B14R1.20339 CCCCOCc1c(cccc1Cl)F 7a_100000215723_100000210211 [0,2,0,0,0,0|2,0,0]=4 41678 B14R1.20339 CCCCOCc1c(cccc1Cl)N 34a_100011916388_100000210210 [0,2,0,0,0,0|2,0,0]=4 41679 B14R1.20339 CCCCOCc1c(cccc1F)C 34a_100000057874_100000210210 [0,2,0,0,0,0|2,0,0]=4 41680 B14R1.20339 CCCCOCc1c(cccc1F)C 34a_100000210227_100009814554 [0,2,0,0,0,0|2,0,0]=4 41681 B14R1.20339 CCCCOCc1c(cccc1F)C 7a_100000057874_100000210211 [0,2,0,0,0,0|2,0,0]=4 41682 B14R1.20339 CCCCOCc1c(cccc1F)C 7a_100000210227_100009814554 [0,2,0,0,0,0|2,0,0]=4 41683 B14R1.20339 CCCCOCc1c(cccc1F)F 34a_100000210227_100000698325 [0,2,0,0,0,0|2,0,0]=4 41684 B14R1.20339 CCCCOCc1c(cccc1F)F 34a_100000698215_100000210210 [0,2,0,0,0,0|2,0,0]=4 41685 B14R1.20339 CCCCOCc1c(cccc1F)F 7a_100000210227_100000698325 [0,2,0,0,0,0|2,0,0]=4 41686 B14R1.20339 CCCCOCc1c(cccc1F)F 7a_100000698215_100000210211 [0,2,0,0,0,0|2,0,0]=4 41687 B14R1.20339 CCCCOCc1c(cccc1F)N 34a_100011846719_100000210210 [0,2,0,0,0,0|2,0,0]=4 41688 B14R1.20339 CCCCOCc1c(cccc1I)Br 34a_100000210227_100010146611 [0,2,0,0,0,0|2,0,0]=4 41689 B14R1.20339 CCCCOCc1c(cccc1I)Br 7a_100000210227_100010146611 [0,2,0,0,0,0|2,0,0]=4 41690 B14R1.20339 CCCCOCc1c(cccc1I)C 34a_100000210227_100010150146 [0,2,0,0,0,0|2,0,0]=4 41691 B14R1.20339 CCCCOCc1c(cccc1I)C 7a_100000210227_100010150146 [0,2,0,0,0,0|2,0,0]=4 41692 B14R1.20339 CCCCOCc1c(cccc1I)F 34a_100000210227_100010149602 [0,2,0,0,0,0|2,0,0]=4 41693 B14R1.20339 CCCCOCc1c(cccc1I)F 34a_100010214973_100000210210 [0,2,0,0,0,0|2,0,0]=4 41694 B14R1.20339 CCCCOCc1c(cccc1I)F 7a_100000210227_100010149602 [0,2,0,0,0,0|2,0,0]=4 41695 B14R1.20339 CCCCOCc1c(cccc1I)F 7a_100010214973_100000210211 [0,2,0,0,0,0|2,0,0]=4 41696 B14R1.20339 CCCCSCc1c(cccc1Br)C 62a_100000210211_100010146847 [0,2,0,0,0,0|2,0,0]=4 41697 B14R1.20339 CCCCSCc1c(cccc1Br)C 62a_100010146847_100000210210 [0,2,0,0,0,0|2,0,0]=4 41698 B14R1.20339 CCCCSCc1c(cccc1Br)Cl 62a_100000210211_100010138402 [0,2,0,0,0,0|2,0,0]=4 41699 B14R1.20339 CCCCSCc1c(cccc1Br)Cl 62a_100010138402_100000210210 [0,2,0,0,0,0|2,0,0]=4 41700 B14R1.20339 CCCCSCc1c(cccc1Br)F 62a_100000210211_100012145669 [0,2,0,0,0,0|2,0,0]=4 41701 B14R1.20339 CCCCSCc1c(cccc1Br)F 62a_100012145669_100000210210 [0,2,0,0,0,0|2,0,0]=4 41702 B14R1.20339 CCCCSCc1c(cccc1C)C 62a_100000210211_100000758300 [0,2,0,0,0,0|2,0,0]=4 41703 B14R1.20339 CCCCSCc1c(cccc1C)C 62a_100000758300_100000210210 [0,2,0,0,0,0|2,0,0]=4 41704 B14R1.20339 CCCCSCc1c(cccc1Cl)Cl 62a_100000187851_100000210210 [0,2,0,0,0,0|2,0,0]=4 41705 B14R1.20339 CCCCSCc1c(cccc1Cl)Cl 62a_100000210211_100000187851 [0,2,0,0,0,0|2,0,0]=4 41706 B14R1.20339 CCCCSCc1c(cccc1Cl)F 62a_100000187852_100000210210 [0,2,0,0,0,0|2,0,0]=4 41707 B14R1.20339 CCCCSCc1c(cccc1Cl)F 62a_100000210211_100000187852 [0,2,0,0,0,0|2,0,0]=4 41708 B14R1.20339 CCCCSCc1c(cccc1F)C 62a_100000210211_100009814554 [0,2,0,0,0,0|2,0,0]=4 41709 B14R1.20339 CCCCSCc1c(cccc1F)C 62a_100009814554_100000210210 [0,2,0,0,0,0|2,0,0]=4 41710 B14R1.20339 CCCCSCc1c(cccc1F)F 62a_100000210211_100000698325 [0,2,0,0,0,0|2,0,0]=4 41711 B14R1.20339 CCCCSCc1c(cccc1F)F 62a_100000709179_100000210210 [0,2,0,0,0,0|2,0,0]=4 41712 B14R1.20339 CCCCSCc1c(cccc1I)Br 62a_100000210211_100010146611 [0,2,0,0,0,0|2,0,0]=4 41713 B14R1.20339 CCCCSCc1c(cccc1I)Br 62a_100010146611_100000210210 [0,2,0,0,0,0|2,0,0]=4 41714 B14R1.20339 CCCCSCc1c(cccc1I)C 62a_100000210211_100010150146 [0,2,0,0,0,0|2,0,0]=4 41715 B14R1.20339 CCCCSCc1c(cccc1I)C 62a_100010150146_100000210210 [0,2,0,0,0,0|2,0,0]=4 41716 B14R1.20339 CCCCSCc1c(cccc1I)F 62a_100000210211_100010149602 [0,2,0,0,0,0|2,0,0]=4 41717 B14R1.20339 CCCCSCc1c(cccc1I)F 62a_100010149602_100000210210 [0,2,0,0,0,0|2,0,0]=4 41718 B14R1.20339 CCCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000210303 [0,2,0,0,0,0|2,0,0]=4 41719 B14R1.20339 CCCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000210303 [0,2,0,0,0,0|2,0,0]=4 41720 B14R1.20339 CCCNCCc1c(cccc1Cl)F 2230a_100000688150_100000210303 [0,2,0,0,0,0|2,0,0]=4 41721 B14R1.20339 CCCNCCc1c(cccc1Cl)F 34a_100000688150_100000210303 [0,2,0,0,0,0|2,0,0]=4 41722 B14R1.20339 CCCOCCc1c(cccc1Cl)Cl 34a_100000210258_100012161200 [0,2,0,0,0,0|2,0,0]=4 41723 B14R1.20339 CCCOCCc1c(cccc1Cl)Cl 34a_100011934077_100000210303 [0,2,0,0,0,0|2,0,0]=4 41724 B14R1.20339 CCCOCCc1c(cccc1Cl)Cl 7a_100011934077_100000210303 [0,2,0,0,0,0|2,0,0]=4 41725 B14R1.20339 CCCOCCc1c(cccc1Cl)F 34a_100011273940_100000210303 [0,2,0,0,0,0|2,0,0]=4 41726 B14R1.20339 CCCOCCc1c(cccc1Cl)F 7a_100011273940_100000210303 [0,2,0,0,0,0|2,0,0]=4 41727 B14R1.20339 CCCOCCc1c(cccc1F)F 34a_100011975733_100000210303 [0,2,0,0,0,0|2,0,0]=4 41728 B14R1.20339 CCCOCCc1c(cccc1F)F 7a_100011975733_100000210303 [0,2,0,0,0,0|2,0,0]=4 41729 B14R1.20339 CCCSCCc1c(cccc1Cl)Cl 62a_100000210303_100012161200 [0,2,0,0,0,0|2,0,0]=4 41730 B14R1.20339 CCCSCCc1c(cccc1Cl)Cl 62a_100012161200_100000210303 [0,2,0,0,0,0|2,0,0]=4 41731 B14R1.20339 CCOCCCc1c(cccc1Br)F 34a_100021413403_100000210202 [0,2,0,0,0,0|2,0,0]=4 41732 B14R1.20339 CCOCCCc1c(cccc1Br)F 7a_100021413403_100000210202 [0,2,0,0,0,0|2,0,0]=4 41733 B14R1.20339 Cc1ccc[n+](c1SCCCCO)[O-] 62a_100000210776_100116209805 [0,2,0,0,0,0|2,0,0]=4 41734 B14R1.20339 Cc1cccc(c1CNCCCF)Br 207a_100015189416_100009881667 [0,2,0,0,0,0|2,0,0]=4 41735 B14R1.20339 Cc1cccc(c1CNCCCF)Br 2230a_100015189416_100010146847 [0,2,0,0,0,0|2,0,0]=4 41736 B14R1.20339 Cc1cccc(c1CNCCCF)Br 270004a_100015189416_100009881667 [0,2,0,0,0,0|2,0,0]=4 41737 B14R1.20339 Cc1cccc(c1CNCCCF)Br 34a_100015189416_100010146847 [0,2,0,0,0,0|2,0,0]=4 41738 B14R1.20339 Cc1cccc(c1CNCCCF)C 207a_100015189416_100000758299 [0,2,0,0,0,0|2,0,0]=4 41739 B14R1.20339 Cc1cccc(c1CNCCCF)C 2230a_100015189416_100000758300 [0,2,0,0,0,0|2,0,0]=4 41740 B14R1.20339 Cc1cccc(c1CNCCCF)C 270004a_100015189416_100000758299 [0,2,0,0,0,0|2,0,0]=4 41741 B14R1.20339 Cc1cccc(c1CNCCCF)C 34a_100000689800_100011934791 [0,2,0,0,0,0|2,0,0]=4 41742 B14R1.20339 Cc1cccc(c1CNCCCF)C 34a_100015189416_100000758300 [0,2,0,0,0,0|2,0,0]=4 41743 B14R1.20339 Cc1cccc(c1CNCCCF)Cl 207a_100015189416_100000041122 [0,2,0,0,0,0|2,0,0]=4 41744 B14R1.20339 Cc1cccc(c1CNCCCF)Cl 270004a_100015189416_100000041122 [0,2,0,0,0,0|2,0,0]=4 41745 B14R1.20339 Cc1cccc(c1CNCCCF)F 207a_100015189416_100000069827 [0,2,0,0,0,0|2,0,0]=4 41746 B14R1.20339 Cc1cccc(c1CNCCCF)F 2230a_100015189416_100009814554 [0,2,0,0,0,0|2,0,0]=4 41747 B14R1.20339 Cc1cccc(c1CNCCCF)F 270004a_100015189416_100000069827 [0,2,0,0,0,0|2,0,0]=4 41748 B14R1.20339 Cc1cccc(c1CNCCCF)F 34a_100000762012_100011934791 [0,2,0,0,0,0|2,0,0]=4 41749 B14R1.20339 Cc1cccc(c1CNCCCF)F 34a_100015189416_100009814554 [0,2,0,0,0,0|2,0,0]=4 41750 B14R1.20339 Cc1cccc(c1CNCCCF)I 2230a_100015189416_100010150146 [0,2,0,0,0,0|2,0,0]=4 41751 B14R1.20339 Cc1cccc(c1CNCCCF)I 34a_100015189416_100010150146 [0,2,0,0,0,0|2,0,0]=4 41752 B14R1.20339 Cc1cccc(c1CNCCCO)Br 207a_100000182051_100009881667 [0,2,0,0,0,0|1,0,0]=3 41753 B14R1.20339 Cc1cccc(c1CNCCCO)Br 270004a_100000182051_100009881667 [0,2,0,0,0,0|1,0,0]=3 41754 B14R1.20339 Cc1cccc(c1CNCCCO)C 207a_100000182051_100000758299 [0,2,0,0,0,0|1,0,0]=3 41755 B14R1.20339 Cc1cccc(c1CNCCCO)C 270004a_100000182051_100000758299 [0,2,0,0,0,0|1,0,0]=3 41756 B14R1.20339 Cc1cccc(c1CNCCCO)C 34a_100000689800_100000230001 [0,2,0,0,0,0|1,0,0]=3 41757 B14R1.20339 Cc1cccc(c1CNCCCO)Cl 207a_100000182051_100000041122 [0,2,0,0,0,0|1,0,0]=3 41758 B14R1.20339 Cc1cccc(c1CNCCCO)Cl 270004a_100000182051_100000041122 [0,2,0,0,0,0|1,0,0]=3 41759 B14R1.20339 Cc1cccc(c1CNCCCO)F 207a_100000182051_100000069827 [0,2,0,0,0,0|1,0,0]=3 41760 B14R1.20339 Cc1cccc(c1CNCCCO)F 270004a_100000182051_100000069827 [0,2,0,0,0,0|1,0,0]=3 41761 B14R1.20339 Cc1cccc(c1CNCCCO)F 34a_100000762012_100000230001 [0,2,0,0,0,0|1,0,0]=3 41762 B14R1.20339 Cc1cccc(c1COCCCBr)Br 34a_100011217188_100010146847 [0,2,0,0,0,0|2,0,0]=4 41763 B14R1.20339 Cc1cccc(c1COCCCBr)C 34a_100011217188_100000758300 [0,2,0,0,0,0|2,0,0]=4 41764 B14R1.20339 Cc1cccc(c1COCCCBr)F 34a_100011217188_100009814554 [0,2,0,0,0,0|2,0,0]=4 41765 B14R1.20339 Cc1cccc(c1COCCCBr)I 34a_100011217188_100010150146 [0,2,0,0,0,0|2,0,0]=4 41766 B14R1.20339 Cc1cccc(c1COCCCCl)Br 34a_100000230001_100010146847 [0,2,0,0,0,0|2,0,0]=4 41767 B14R1.20339 Cc1cccc(c1COCCCCl)C 34a_100000230001_100000758300 [0,2,0,0,0,0|2,0,0]=4 41768 B14R1.20339 Cc1cccc(c1COCCCCl)F 34a_100000230001_100009814554 [0,2,0,0,0,0|2,0,0]=4 41769 B14R1.20339 Cc1cccc(c1COCCCCl)I 34a_100000230001_100010150146 [0,2,0,0,0,0|2,0,0]=4 41770 B14R1.20339 Cc1cccc(c1COCCCF)Br 34a_100000759539_100010146847 [0,2,0,0,0,0|2,0,0]=4 41771 B14R1.20339 Cc1cccc(c1COCCCF)C 34a_100000759539_100000758300 [0,2,0,0,0,0|2,0,0]=4 41772 B14R1.20339 Cc1cccc(c1COCCCF)C 34a_100011933981_100011934791 [0,2,0,0,0,0|2,0,0]=4 41773 B14R1.20339 Cc1cccc(c1COCCCF)C 7a_100011933981_100011934791 [0,2,0,0,0,0|2,0,0]=4 41774 B14R1.20339 Cc1cccc(c1COCCCF)Cl 34a_100000082531_100011934791 [0,2,0,0,0,0|2,0,0]=4 41775 B14R1.20339 Cc1cccc(c1COCCCF)Cl 7a_100000082531_100011934791 [0,2,0,0,0,0|2,0,0]=4 41776 B14R1.20339 Cc1cccc(c1COCCCF)F 34a_100000057874_100011934791 [0,2,0,0,0,0|2,0,0]=4 41777 B14R1.20339 Cc1cccc(c1COCCCF)F 34a_100000759539_100009814554 [0,2,0,0,0,0|2,0,0]=4 41778 B14R1.20339 Cc1cccc(c1COCCCF)F 7a_100000057874_100011934791 [0,2,0,0,0,0|2,0,0]=4 41779 B14R1.20339 Cc1cccc(c1COCCCF)I 34a_100000759539_100010150146 [0,2,0,0,0,0|2,0,0]=4 41780 B14R1.20339 Cc1cccc(c1COCCCN)Br 34a_100000182051_100010146847 [0,2,0,0,0,0|2,0,0]=4 41781 B14R1.20339 Cc1cccc(c1COCCCN)C 34a_100000182051_100000758300 [0,2,0,0,0,0|2,0,0]=4 41782 B14R1.20339 Cc1cccc(c1COCCCN)F 34a_100000182051_100009814554 [0,2,0,0,0,0|2,0,0]=4 41783 B14R1.20339 Cc1cccc(c1COCCCN)I 34a_100000182051_100010150146 [0,2,0,0,0,0|2,0,0]=4 41784 B14R1.20339 Cc1cccc(c1COCCCO)C 34a_100011933981_100000230001 [0,2,0,0,0,0|1,0,0]=3 41785 B14R1.20339 Cc1cccc(c1COCCCO)C 7a_100011933981_100011215043 [0,2,0,0,0,0|1,0,0]=3 41786 B14R1.20339 Cc1cccc(c1COCCCO)Cl 34a_100000082531_100000230001 [0,2,0,0,0,0|1,0,0]=3 41787 B14R1.20339 Cc1cccc(c1COCCCO)Cl 7a_100000082531_100011215043 [0,2,0,0,0,0|1,0,0]=3 41788 B14R1.20339 Cc1cccc(c1COCCCO)F 34a_100000057874_100000230001 [0,2,0,0,0,0|1,0,0]=3 41789 B14R1.20339 Cc1cccc(c1COCCCO)F 7a_100000057874_100011215043 [0,2,0,0,0,0|1,0,0]=3 41790 B14R1.20339 Cc1cccc(c1CSCCCF)Br 62a_100010146847_100011934791 [0,2,0,0,0,0|2,0,0]=4 41791 B14R1.20339 Cc1cccc(c1CSCCCF)Br 62a_100011934791_100010146847 [0,2,0,0,0,0|2,0,0]=4 41792 B14R1.20339 Cc1cccc(c1CSCCCF)C 62a_100000758300_100011934791 [0,2,0,0,0,0|2,0,0]=4 41793 B14R1.20339 Cc1cccc(c1CSCCCF)C 62a_100011934791_100000758300 [0,2,0,0,0,0|2,0,0]=4 41794 B14R1.20339 Cc1cccc(c1CSCCCF)F 62a_100009814554_100011934791 [0,2,0,0,0,0|2,0,0]=4 41795 B14R1.20339 Cc1cccc(c1CSCCCF)F 62a_100011934791_100009814554 [0,2,0,0,0,0|2,0,0]=4 41796 B14R1.20339 Cc1cccc(c1CSCCCF)I 62a_100010150146_100011934791 [0,2,0,0,0,0|2,0,0]=4 41797 B14R1.20339 Cc1cccc(c1CSCCCF)I 62a_100011934791_100010150146 [0,2,0,0,0,0|2,0,0]=4 41798 B14R1.20339 Cc1cccc(c1CSCCCO)Br 62a_100010146847_100011215043 [0,2,0,0,0,0|1,0,0]=3 41799 B14R1.20339 Cc1cccc(c1CSCCCO)Br 62a_100011215043_100010146847 [0,2,0,0,0,0|1,0,0]=3 41800 B14R1.20339 Cc1cccc(c1CSCCCO)C 62a_100000758300_100011215043 [0,2,0,0,0,0|1,0,0]=3 41801 B14R1.20339 Cc1cccc(c1CSCCCO)C 62a_100011215043_100000758300 [0,2,0,0,0,0|1,0,0]=3 41802 B14R1.20339 Cc1cccc(c1CSCCCO)F 62a_100009814554_100011215043 [0,2,0,0,0,0|1,0,0]=3 41803 B14R1.20339 Cc1cccc(c1CSCCCO)F 62a_100011215043_100009814554 [0,2,0,0,0,0|1,0,0]=3 41804 B14R1.20339 Cc1cccc(c1CSCCCO)I 62a_100010150146_100011215043 [0,2,0,0,0,0|1,0,0]=3 41805 B14R1.20339 Cc1cccc(c1CSCCCO)I 62a_100011215043_100010150146 [0,2,0,0,0,0|1,0,0]=3 41806 B14R1.20339 Cc1cccc(c1NCCCCF)Br 34a_100011834072_100000729493 [0,2,0,0,0,0|2,0,0]=4 41807 B14R1.20339 Cc1cccc(c1NCCCCF)C 34a_100000185769_100000729493 [0,2,0,0,0,0|2,0,0]=4 41808 B14R1.20339 Cc1cccc(c1NCCCCF)Cl 34a_100000756524_100000729493 [0,2,0,0,0,0|2,0,0]=4 41809 B14R1.20339 Cc1cccc(c1NCCCCF)F 34a_100000766463_100000729493 [0,2,0,0,0,0|2,0,0]=4 41810 B14R1.20339 Cc1cccc(c1NCCCCF)O 34a_100000743429_100000729493 [0,2,0,0,0,0|2,0,0]=4 41811 B14R1.20339 Cc1cccc(c1NCCCCO)Br 34a_100011834072_100011216708 [0,2,0,0,0,0|1,0,0]=3 41812 B14R1.20339 Cc1cccc(c1NCCCCO)C 34a_100000185769_100011216708 [0,2,0,0,0,0|1,0,0]=3 41813 B14R1.20339 Cc1cccc(c1NCCCCO)Cl 34a_100000756524_100011216708 [0,2,0,0,0,0|1,0,0]=3 41814 B14R1.20339 Cc1cccc(c1NCCCCO)F 34a_100000766463_100011216708 [0,2,0,0,0,0|1,0,0]=3 41815 B14R1.20339 Cc1cccc(c1NCCCCO)O 34a_100000743429_100011216708 [0,2,0,0,0,0|1,0,0]=3 41816 B14R1.20339 Cc1cccc(c1OCCCCF)Br 34a_100009817157_100000729493 [0,2,0,0,0,0|2,0,0]=4 41817 B14R1.20339 Cc1cccc(c1OCCCCF)Br 7a_100009817157_100000729493 [0,2,0,0,0,0|2,0,0]=4 41818 B14R1.20339 Cc1cccc(c1OCCCCF)C 34a_100000210341_100000729493 [0,2,0,0,0,0|2,0,0]=4 41819 B14R1.20339 Cc1cccc(c1OCCCCF)C 7a_100000210341_100000729493 [0,2,0,0,0,0|2,0,0]=4 41820 B14R1.20339 Cc1cccc(c1OCCCCF)Cl 34a_100000033731_100000729493 [0,2,0,0,0,0|2,0,0]=4 41821 B14R1.20339 Cc1cccc(c1OCCCCF)Cl 7a_100000033731_100000729493 [0,2,0,0,0,0|2,0,0]=4 41822 B14R1.20339 Cc1cccc(c1OCCCCF)F 34a_100011659162_100000729493 [0,2,0,0,0,0|2,0,0]=4 41823 B14R1.20339 Cc1cccc(c1OCCCCF)F 7a_100011659162_100000729493 [0,2,0,0,0,0|2,0,0]=4 41824 B14R1.20339 Cc1cccc(c1OCCCCF)N 34a_100000756359_100000729493 [0,2,0,0,0,0|2,0,0]=4 41825 B14R1.20339 Cc1cccc(c1OCCCCF)N 7a_100000756359_100000729493 [0,2,0,0,0,0|2,0,0]=4 41826 B14R1.20339 Cc1cccc(c1OCCCCO)Br 34a_100009817157_100011216708 [0,2,0,0,0,0|1,0,0]=3 41827 B14R1.20339 Cc1cccc(c1OCCCCO)Br 7a_100009817157_100000210776 [0,2,0,0,0,0|1,0,0]=3 41828 B14R1.20339 Cc1cccc(c1OCCCCO)C 34a_100000210341_100011216708 [0,2,0,0,0,0|1,0,0]=3 41829 B14R1.20339 Cc1cccc(c1OCCCCO)C 7a_100000210341_100000210776 [0,2,0,0,0,0|1,0,0]=3 41830 B14R1.20339 Cc1cccc(c1OCCCCO)Cl 34a_100000033731_100011216708 [0,2,0,0,0,0|1,0,0]=3 41831 B14R1.20339 Cc1cccc(c1OCCCCO)Cl 7a_100000033731_100000210776 [0,2,0,0,0,0|1,0,0]=3 41832 B14R1.20339 Cc1cccc(c1OCCCCO)F 34a_100011659162_100011216708 [0,2,0,0,0,0|1,0,0]=3 41833 B14R1.20339 Cc1cccc(c1OCCCCO)F 7a_100011659162_100000210776 [0,2,0,0,0,0|1,0,0]=3 41834 B14R1.20339 Cc1cccc(c1OCCCCO)N 34a_100000756359_100011216708 [0,2,0,0,0,0|1,0,0]=3 41835 B14R1.20339 Cc1cccc(c1OCCCCO)N 7a_100000756359_100000210776 [0,2,0,0,0,0|1,0,0]=3 41836 B14R1.20339 Cc1cccc(c1SCCCCF)Br 62a_100000729493_100010141302 [0,2,0,0,0,0|2,0,0]=4 41837 B14R1.20339 Cc1cccc(c1SCCCCF)Br 62a_100010141302_100000729493 [0,2,0,0,0,0|2,0,0]=4 41838 B14R1.20339 Cc1cccc(c1SCCCCF)C 62a_100000033847_100000729493 [0,2,0,0,0,0|2,0,0]=4 41839 B14R1.20339 Cc1cccc(c1SCCCCF)C 62a_100000729493_100000033847 [0,2,0,0,0,0|2,0,0]=4 41840 B14R1.20339 Cc1cccc(c1SCCCCF)Cl 62a_100000043165_100000729493 [0,2,0,0,0,0|2,0,0]=4 41841 B14R1.20339 Cc1cccc(c1SCCCCF)Cl 62a_100000729493_100000043165 [0,2,0,0,0,0|2,0,0]=4 41842 B14R1.20339 Cc1cccc(c1SCCCCF)F 62a_100000729493_100011218421 [0,2,0,0,0,0|2,0,0]=4 41843 B14R1.20339 Cc1cccc(c1SCCCCF)F 62a_100011218421_100000729493 [0,2,0,0,0,0|2,0,0]=4 41844 B14R1.20339 Cc1cccc(c1SCCCCF)N 62a_100000684715_100000729493 [0,2,0,0,0,0|2,0,0]=4 41845 B14R1.20339 Cc1cccc(c1SCCCCF)N 62a_100000729493_100000684715 [0,2,0,0,0,0|2,0,0]=4 41846 B14R1.20339 Cc1cccc(c1SCCCCF)O 62a_100000686692_100000729493 [0,2,0,0,0,0|2,0,0]=4 41847 B14R1.20339 Cc1cccc(c1SCCCCF)O 62a_100000729493_100000686692 [0,2,0,0,0,0|2,0,0]=4 41848 B14R1.20339 Cc1cccc(c1SCCCCO)Br 62a_100000210776_100010141302 [0,2,0,0,0,0|1,0,0]=3 41849 B14R1.20339 Cc1cccc(c1SCCCCO)Br 62a_100010141302_100000210776 [0,2,0,0,0,0|1,0,0]=3 41850 B14R1.20339 Cc1cccc(c1SCCCCO)C 62a_100000033847_100000210776 [0,2,0,0,0,0|1,0,0]=3 41851 B14R1.20339 Cc1cccc(c1SCCCCO)C 62a_100000210776_100000033847 [0,2,0,0,0,0|1,0,0]=3 41852 B14R1.20339 Cc1cccc(c1SCCCCO)Cl 62a_100000043165_100000210776 [0,2,0,0,0,0|1,0,0]=3 41853 B14R1.20339 Cc1cccc(c1SCCCCO)Cl 62a_100000210776_100000043165 [0,2,0,0,0,0|1,0,0]=3 41854 B14R1.20339 Cc1cccc(c1SCCCCO)F 62a_100000210776_100011218421 [0,2,0,0,0,0|1,0,0]=3 41855 B14R1.20339 Cc1cccc(c1SCCCCO)F 62a_100011218421_100000210776 [0,2,0,0,0,0|1,0,0]=3 41856 B14R1.20339 Cc1cccc(c1SCCCCO)N 62a_100000210776_100000684715 [0,2,0,0,0,0|1,0,0]=3 41857 B14R1.20339 Cc1cccc(c1SCCCCO)N 62a_100000684715_100000210776 [0,2,0,0,0,0|1,0,0]=3 41858 B14R1.20339 Cc1cccc(c1SCCCCO)O 62a_100000210776_100000686692 [0,2,0,0,0,0|1,0,0]=3 41859 B14R1.20339 Cc1cccc(c1SCCCCO)O 62a_100000686692_100000210776 [0,2,0,0,0,0|1,0,0]=3 41860 B14R1.20339 Cc1ccnc(c1CNCCCO)F 207a_100000182051_100000087869 [0,2,0,0,0,0|2,0,0]=4 41861 B14R1.20339 Cc1ccnc(c1NCCCCO)F 27a_100000750430_100009818256 [0,2,0,0,0,0|2,0,0]=4 41862 B14R1.20339 Cc1ccnc(c1OCCCCO)C 34a_100011934651_100011216708 [0,2,0,0,0,0|2,0,0]=4 41863 B14R1.20339 Cc1ccnc(c1OCCCCO)C 7a_100011934651_100000210776 [0,2,0,0,0,0|2,0,0]=4 41864 B14R1.20339 Cc1ccnc(c1OCCCCO)Cl 34a_100000696282_100011216708 [0,2,0,0,0,0|2,0,0]=4 41865 B14R1.20339 Cc1ccnc(c1OCCCCO)Cl 7a_100000696282_100000210776 [0,2,0,0,0,0|2,0,0]=4 41866 B14R1.20339 Cc1ccnc(c1SCCCCO)C 62a_100000210776_100012000501 [0,2,0,0,0,0|2,0,0]=4 41867 B14R1.20339 Cc1ccnc(c1SCCCCO)C 62a_100012000501_100000210776 [0,2,0,0,0,0|2,0,0]=4 41868 B14R1.20339 Cc1ccnc(c1SCCCCO)Cl 62a_100000210776_100010248874 [0,2,0,0,0,0|2,0,0]=4 41869 B14R1.20339 Cc1ccnc(c1SCCCCO)Cl 62a_100010248874_100000210776 [0,2,0,0,0,0|2,0,0]=4 41870 B14R1.20339 Cc1ccnc(c1SCCCCO)F 62a_100000210776_100009818256 [0,2,0,0,0,0|2,0,0]=4 41871 B14R1.20339 Cc1ccnc(c1SCCCCO)F 62a_100009818256_100000210776 [0,2,0,0,0,0|2,0,0]=4 41872 B14R1.20339 Cc1ccnc(c1SCCCCO)N 62a_100000210776_100011998619 [0,2,0,0,0,0|2,0,0]=4 41873 B14R1.20339 Cc1ccnc(c1SCCCCO)N 62a_100011998619_100000210776 [0,2,0,0,0,0|2,0,0]=4 41874 B14R1.20339 Cc1ccnc(c1SCCCCO)O 62a_100000210776_100012000493 [0,2,0,0,0,0|2,0,0]=4 41875 B14R1.20339 Cc1ccnc(c1SCCCCO)O 62a_100012000493_100000210776 [0,2,0,0,0,0|2,0,0]=4 41876 B14R1.20339 Cc1cncc(c1SCCCCO)C 62a_100000210776_100009817138 [0,2,0,0,0,0|2,0,0]=4 41877 B14R1.20339 Cc1cncc(c1SCCCCO)C 62a_100009817138_100000210776 [0,2,0,0,0,0|2,0,0]=4 41878 B14R1.20339 Cc1nccc(c1SCCCCO)N 62a_100000210776_100010243816 [0,2,0,0,0,0|2,0,0]=4 41879 B14R1.20339 Cc1nccc(c1SCCCCO)N 62a_100010243816_100000210776 [0,2,0,0,0,0|2,0,0]=4 41880 B14R1.20339 Cc1occc(=O)c1OCCCCO 34a_100000031901_100011216708 [0,2,0,0,0,0|2,0,0]=4 41881 B14R1.20339 ClCCCOCc1c(cccc1Br)Cl 34a_100000230001_100010138402 [0,2,0,0,0,0|2,0,0]=4 41882 B14R1.20339 ClCCCOCc1c(cccc1Cl)Cl 34a_100000230001_100000187851 [0,2,0,0,0,0|2,0,0]=4 41883 B14R1.20339 ClCCCOCc1c(cccc1I)Br 34a_100000230001_100010146611 [0,2,0,0,0,0|2,0,0]=4 41884 B14R1.20339 Clc1cccc(c1CCOCCBr)Cl 34a_100000211926_100012161200 [0,2,0,0,0,0|2,0,0]=4 41885 B14R1.20339 Clc1cccc(c1COCCCBr)Br 34a_100011217188_100010138402 [0,2,0,0,0,0|2,0,0]=4 41886 B14R1.20339 Clc1cccc(c1COCCCBr)Cl 34a_100011217188_100000187851 [0,2,0,0,0,0|2,0,0]=4 41887 B14R1.20339 FCCCCNc1c(cccc1Br)Br 34a_100000690995_100000729493 [0,2,0,0,0,0|2,0,0]=4 41888 B14R1.20339 FCCCCNc1c(cccc1Br)Cl 34a_100102946385_100000729493 [0,2,0,0,0,0|2,0,0]=4 41889 B14R1.20339 FCCCCNc1c(cccc1Br)F 34a_100000684712_100000729493 [0,2,0,0,0,0|2,0,0]=4 41890 B14R1.20339 FCCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000729493 [0,2,0,0,0,0|2,0,0]=4 41891 B14R1.20339 FCCCCNc1c(cccc1Cl)F 34a_100000760031_100000729493 [0,2,0,0,0,0|2,0,0]=4 41892 B14R1.20339 FCCCCNc1c(cccc1F)F 2230a_100000210704_100000729493 [0,2,0,0,0,0|2,0,0]=4 41893 B14R1.20339 FCCCCNc1c(cccc1F)F 34a_100000210704_100000729493 [0,2,0,0,0,0|2,0,0]=4 41894 B14R1.20339 FCCCCNc1c(cccc1I)F 34a_100000042321_100000729493 [0,2,0,0,0,0|2,0,0]=4 41895 B14R1.20339 FCCCCOc1c(cccc1Br)Br 34a_100000736428_100000729493 [0,2,0,0,0,0|2,0,0]=4 41896 B14R1.20339 FCCCCOc1c(cccc1Br)Br 7a_100000736428_100000729493 [0,2,0,0,0,0|2,0,0]=4 41897 B14R1.20339 FCCCCOc1c(cccc1Br)Cl 34a_100010214474_100000729493 [0,2,0,0,0,0|2,0,0]=4 41898 B14R1.20339 FCCCCOc1c(cccc1Br)Cl 7a_100010214474_100000729493 [0,2,0,0,0,0|2,0,0]=4 41899 B14R1.20339 FCCCCOc1c(cccc1Br)F 34a_100009813666_100000729493 [0,2,0,0,0,0|2,0,0]=4 41900 B14R1.20339 FCCCCOc1c(cccc1Br)F 7a_100009813666_100000729493 [0,2,0,0,0,0|2,0,0]=4 41901 B14R1.20339 FCCCCOc1c(cccc1Cl)Cl 34a_100000211709_100000729493 [0,2,0,0,0,0|2,0,0]=4 41902 B14R1.20339 FCCCCOc1c(cccc1Cl)Cl 7a_100000211709_100000729493 [0,2,0,0,0,0|2,0,0]=4 41903 B14R1.20339 FCCCCOc1c(cccc1Cl)F 34a_100000694953_100000729493 [0,2,0,0,0,0|2,0,0]=4 41904 B14R1.20339 FCCCCOc1c(cccc1Cl)F 7a_100000694953_100000729493 [0,2,0,0,0,0|2,0,0]=4 41905 B14R1.20339 FCCCCOc1c(cccc1F)F 34a_100000230165_100000729493 [0,2,0,0,0,0|2,0,0]=4 41906 B14R1.20339 FCCCCOc1c(cccc1F)F 7a_100000230165_100000729493 [0,2,0,0,0,0|2,0,0]=4 41907 B14R1.20339 FCCCCOc1c(cccc1I)Br 34a_100010084509_100000729493 [0,2,0,0,0,0|2,0,0]=4 41908 B14R1.20339 FCCCCOc1c(cccc1I)Br 7a_100010084509_100000729493 [0,2,0,0,0,0|2,0,0]=4 41909 B14R1.20339 FCCCCOc1c(cccc1I)Cl 34a_100010202889_100000729493 [0,2,0,0,0,0|2,0,0]=4 41910 B14R1.20339 FCCCCOc1c(cccc1I)Cl 7a_100010202889_100000729493 [0,2,0,0,0,0|2,0,0]=4 41911 B14R1.20339 FCCCCOc1c(cccc1I)F 34a_100010186298_100000729493 [0,2,0,0,0,0|2,0,0]=4 41912 B14R1.20339 FCCCCOc1c(cccc1I)F 7a_100010186298_100000729493 [0,2,0,0,0,0|2,0,0]=4 41913 B14R1.20339 FCCCCSc1c(cccc1Br)Br 62a_100000729493_100009994525 [0,2,0,0,0,0|2,0,0]=4 41914 B14R1.20339 FCCCCSc1c(cccc1Br)Br 62a_100009994525_100000729493 [0,2,0,0,0,0|2,0,0]=4 41915 B14R1.20339 FCCCCSc1c(cccc1Br)Cl 62a_100000729493_100010214488 [0,2,0,0,0,0|2,0,0]=4 41916 B14R1.20339 FCCCCSc1c(cccc1Br)Cl 62a_100010214488_100000729493 [0,2,0,0,0,0|2,0,0]=4 41917 B14R1.20339 FCCCCSc1c(cccc1Br)F 62a_100000729493_100011219512 [0,2,0,0,0,0|2,0,0]=4 41918 B14R1.20339 FCCCCSc1c(cccc1Br)F 62a_100011219512_100000729493 [0,2,0,0,0,0|2,0,0]=4 41919 B14R1.20339 FCCCCSc1c(cccc1Cl)Cl 62a_100000034237_100000729493 [0,2,0,0,0,0|2,0,0]=4 41920 B14R1.20339 FCCCCSc1c(cccc1Cl)Cl 62a_100000729493_100000034237 [0,2,0,0,0,0|2,0,0]=4 41921 B14R1.20339 FCCCCSc1c(cccc1Cl)F 62a_100000050007_100000729493 [0,2,0,0,0,0|2,0,0]=4 41922 B14R1.20339 FCCCCSc1c(cccc1Cl)F 62a_100000729493_100000050007 [0,2,0,0,0,0|2,0,0]=4 41923 B14R1.20339 FCCCCSc1c(cccc1F)F 62a_100000693133_100000729493 [0,2,0,0,0,0|2,0,0]=4 41924 B14R1.20339 FCCCCSc1c(cccc1F)F 62a_100000729493_100000693133 [0,2,0,0,0,0|2,0,0]=4 41925 B14R1.20339 FCCCNCc1c(cccc1Br)Br 207a_100015189416_100010233043 [0,2,0,0,0,0|2,0,0]=4 41926 B14R1.20339 FCCCNCc1c(cccc1Br)Br 270004a_100015189416_100010233043 [0,2,0,0,0,0|2,0,0]=4 41927 B14R1.20339 FCCCNCc1c(cccc1Br)Cl 207a_100015189416_100011249081 [0,2,0,0,0,0|2,0,0]=4 41928 B14R1.20339 FCCCNCc1c(cccc1Br)Cl 2230a_100015189416_100010138402 [0,2,0,0,0,0|2,0,0]=4 41929 B14R1.20339 FCCCNCc1c(cccc1Br)Cl 270004a_100015189416_100011249081 [0,2,0,0,0,0|2,0,0]=4 41930 B14R1.20339 FCCCNCc1c(cccc1Br)Cl 34a_100015189416_100010138402 [0,2,0,0,0,0|2,0,0]=4 41931 B14R1.20339 FCCCNCc1c(cccc1Br)F 207a_100015189416_100000752695 [0,2,0,0,0,0|2,0,0]=4 41932 B14R1.20339 FCCCNCc1c(cccc1Br)F 2230a_100015189416_100012145669 [0,2,0,0,0,0|2,0,0]=4 41933 B14R1.20339 FCCCNCc1c(cccc1Br)F 270004a_100015189416_100000752695 [0,2,0,0,0,0|2,0,0]=4 41934 B14R1.20339 FCCCNCc1c(cccc1Br)F 34a_100012349121_100011934791 [0,2,0,0,0,0|2,0,0]=4 41935 B14R1.20339 FCCCNCc1c(cccc1Br)F 34a_100015189416_100012145669 [0,2,0,0,0,0|2,0,0]=4 41936 B14R1.20339 FCCCNCc1c(cccc1Cl)Cl 207a_100015189416_100000189306 [0,2,0,0,0,0|2,0,0]=4 41937 B14R1.20339 FCCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100011934791 [0,2,0,0,0,0|2,0,0]=4 41938 B14R1.20339 FCCCNCc1c(cccc1Cl)Cl 2230a_100015189416_100000187851 [0,2,0,0,0,0|2,0,0]=4 41939 B14R1.20339 FCCCNCc1c(cccc1Cl)Cl 270004a_100015189416_100000189306 [0,2,0,0,0,0|2,0,0]=4 41940 B14R1.20339 FCCCNCc1c(cccc1Cl)Cl 34a_100000174884_100011934791 [0,2,0,0,0,0|2,0,0]=4 41941 B14R1.20339 FCCCNCc1c(cccc1Cl)Cl 34a_100015189416_100000187851 [0,2,0,0,0,0|2,0,0]=4 41942 B14R1.20339 FCCCNCc1c(cccc1Cl)F 207a_100015189416_100000210083 [0,2,0,0,0,0|2,0,0]=4 41943 B14R1.20339 FCCCNCc1c(cccc1Cl)F 2230a_100015189416_100000187852 [0,2,0,0,0,0|2,0,0]=4 41944 B14R1.20339 FCCCNCc1c(cccc1Cl)F 270004a_100015189416_100000210083 [0,2,0,0,0,0|2,0,0]=4 41945 B14R1.20339 FCCCNCc1c(cccc1Cl)F 34a_100000174883_100011934791 [0,2,0,0,0,0|2,0,0]=4 41946 B14R1.20339 FCCCNCc1c(cccc1Cl)F 34a_100015189416_100000187852 [0,2,0,0,0,0|2,0,0]=4 41947 B14R1.20339 FCCCNCc1c(cccc1F)F 207a_100015189416_100000211061 [0,2,0,0,0,0|2,0,0]=4 41948 B14R1.20339 FCCCNCc1c(cccc1F)F 2230a_100015189416_100000698325 [0,2,0,0,0,0|2,0,0]=4 41949 B14R1.20339 FCCCNCc1c(cccc1F)F 270004a_100015189416_100000211061 [0,2,0,0,0,0|2,0,0]=4 41950 B14R1.20339 FCCCNCc1c(cccc1F)F 34a_100000688400_100011934791 [0,2,0,0,0,0|2,0,0]=4 41951 B14R1.20339 FCCCNCc1c(cccc1F)F 34a_100015189416_100000698325 [0,2,0,0,0,0|2,0,0]=4 41952 B14R1.20339 FCCCNCc1c(cccc1I)Br 2230a_100015189416_100010146611 [0,2,0,0,0,0|2,0,0]=4 41953 B14R1.20339 FCCCNCc1c(cccc1I)Br 34a_100015189416_100010146611 [0,2,0,0,0,0|2,0,0]=4 41954 B14R1.20339 FCCCNCc1c(cccc1I)Cl 207a_100015189416_100010147682 [0,2,0,0,0,0|2,0,0]=4 41955 B14R1.20339 FCCCNCc1c(cccc1I)Cl 270004a_100015189416_100010147682 [0,2,0,0,0,0|2,0,0]=4 41956 B14R1.20339 FCCCNCc1c(cccc1I)F 207a_100015189416_100010178011 [0,2,0,0,0,0|2,0,0]=4 41957 B14R1.20339 FCCCNCc1c(cccc1I)F 2230a_100015189416_100010149602 [0,2,0,0,0,0|2,0,0]=4 41958 B14R1.20339 FCCCNCc1c(cccc1I)F 270004a_100015189416_100010178011 [0,2,0,0,0,0|2,0,0]=4 41959 B14R1.20339 FCCCNCc1c(cccc1I)F 34a_100015189416_100010149602 [0,2,0,0,0,0|2,0,0]=4 41960 B14R1.20339 FCCCOCc1c(cccc1Br)Br 34a_100010172814_100011934791 [0,2,0,0,0,0|2,0,0]=4 41961 B14R1.20339 FCCCOCc1c(cccc1Br)Br 7a_100010172814_100011934791 [0,2,0,0,0,0|2,0,0]=4 41962 B14R1.20339 FCCCOCc1c(cccc1Br)Cl 34a_100000759539_100010138402 [0,2,0,0,0,0|2,0,0]=4 41963 B14R1.20339 FCCCOCc1c(cccc1Br)F 34a_100000759539_100012145669 [0,2,0,0,0,0|2,0,0]=4 41964 B14R1.20339 FCCCOCc1c(cccc1Br)F 34a_100012355691_100011934791 [0,2,0,0,0,0|2,0,0]=4 41965 B14R1.20339 FCCCOCc1c(cccc1Br)F 7a_100012355691_100011934791 [0,2,0,0,0,0|2,0,0]=4 41966 B14R1.20339 FCCCOCc1c(cccc1Cl)Cl 34a_100000215722_100011934791 [0,2,0,0,0,0|2,0,0]=4 41967 B14R1.20339 FCCCOCc1c(cccc1Cl)Cl 34a_100000759539_100000187851 [0,2,0,0,0,0|2,0,0]=4 41968 B14R1.20339 FCCCOCc1c(cccc1Cl)Cl 7a_100000215722_100011934791 [0,2,0,0,0,0|2,0,0]=4 41969 B14R1.20339 FCCCOCc1c(cccc1Cl)F 34a_100000215723_100011934791 [0,2,0,0,0,0|2,0,0]=4 41970 B14R1.20339 FCCCOCc1c(cccc1Cl)F 34a_100000759539_100000187852 [0,2,0,0,0,0|2,0,0]=4 41971 B14R1.20339 FCCCOCc1c(cccc1Cl)F 7a_100000215723_100011934791 [0,2,0,0,0,0|2,0,0]=4 41972 B14R1.20339 FCCCOCc1c(cccc1F)F 34a_100000698215_100011934791 [0,2,0,0,0,0|2,0,0]=4 41973 B14R1.20339 FCCCOCc1c(cccc1F)F 34a_100000759539_100000698325 [0,2,0,0,0,0|2,0,0]=4 41974 B14R1.20339 FCCCOCc1c(cccc1F)F 7a_100000698215_100011934791 [0,2,0,0,0,0|2,0,0]=4 41975 B14R1.20339 FCCCOCc1c(cccc1I)Br 34a_100000759539_100010146611 [0,2,0,0,0,0|2,0,0]=4 41976 B14R1.20339 FCCCOCc1c(cccc1I)F 34a_100000759539_100010149602 [0,2,0,0,0,0|2,0,0]=4 41977 B14R1.20339 FCCCOCc1c(cccc1I)F 34a_100010214973_100011934791 [0,2,0,0,0,0|2,0,0]=4 41978 B14R1.20339 FCCCOCc1c(cccc1I)F 7a_100010214973_100011934791 [0,2,0,0,0,0|2,0,0]=4 41979 B14R1.20339 FCCCSCc1c(cccc1Br)Cl 62a_100010138402_100011934791 [0,2,0,0,0,0|2,0,0]=4 41980 B14R1.20339 FCCCSCc1c(cccc1Br)Cl 62a_100011934791_100010138402 [0,2,0,0,0,0|2,0,0]=4 41981 B14R1.20339 FCCCSCc1c(cccc1Br)F 62a_100011934791_100012145669 [0,2,0,0,0,0|2,0,0]=4 41982 B14R1.20339 FCCCSCc1c(cccc1Br)F 62a_100012145669_100011934791 [0,2,0,0,0,0|2,0,0]=4 41983 B14R1.20339 FCCCSCc1c(cccc1Cl)Cl 62a_100000187851_100011934791 [0,2,0,0,0,0|2,0,0]=4 41984 B14R1.20339 FCCCSCc1c(cccc1Cl)Cl 62a_100011934791_100000187851 [0,2,0,0,0,0|2,0,0]=4 41985 B14R1.20339 FCCCSCc1c(cccc1Cl)F 62a_100000187852_100011934791 [0,2,0,0,0,0|2,0,0]=4 41986 B14R1.20339 FCCCSCc1c(cccc1Cl)F 62a_100011934791_100000187852 [0,2,0,0,0,0|2,0,0]=4 41987 B14R1.20339 FCCCSCc1c(cccc1F)F 62a_100000709179_100011934791 [0,2,0,0,0,0|2,0,0]=4 41988 B14R1.20339 FCCCSCc1c(cccc1F)F 62a_100011934791_100000698325 [0,2,0,0,0,0|2,0,0]=4 41989 B14R1.20339 FCCCSCc1c(cccc1I)Br 62a_100010146611_100011934791 [0,2,0,0,0,0|2,0,0]=4 41990 B14R1.20339 FCCCSCc1c(cccc1I)Br 62a_100011934791_100010146611 [0,2,0,0,0,0|2,0,0]=4 41991 B14R1.20339 FCCCSCc1c(cccc1I)F 62a_100010149602_100011934791 [0,2,0,0,0,0|2,0,0]=4 41992 B14R1.20339 FCCCSCc1c(cccc1I)F 62a_100011934791_100010149602 [0,2,0,0,0,0|2,0,0]=4 41993 B14R1.20339 FCCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100011217306 [0,2,0,0,0,0|2,0,0]=4 41994 B14R1.20339 FCCNCCc1c(cccc1Cl)Cl 34a_100000724931_100012161200 [0,2,0,0,0,0|2,0,0]=4 41995 B14R1.20339 FCCNCCc1c(cccc1Cl)Cl 34a_100032004868_100011217306 [0,2,0,0,0,0|2,0,0]=4 41996 B14R1.20339 FCCNCCc1c(cccc1Cl)F 2230a_100000688150_100011217306 [0,2,0,0,0,0|2,0,0]=4 41997 B14R1.20339 FCCNCCc1c(cccc1Cl)F 34a_100000688150_100011217306 [0,2,0,0,0,0|2,0,0]=4 41998 B14R1.20339 FCCOCCc1c(cccc1Cl)Cl 34a_100011934077_100011217306 [0,2,0,0,0,0|2,0,0]=4 41999 B14R1.20339 FCCOCCc1c(cccc1Cl)Cl 7a_100011934077_100011217306 [0,2,0,0,0,0|2,0,0]=4 42000 B14R1.20339 FCCOCCc1c(cccc1Cl)F 34a_100011273940_100011217306 [0,2,0,0,0,0|2,0,0]=4 42001 B14R1.20339 FCCOCCc1c(cccc1Cl)F 7a_100011273940_100011217306 [0,2,0,0,0,0|2,0,0]=4 42002 B14R1.20339 FCCOCCc1c(cccc1F)F 34a_100011975733_100011217306 [0,2,0,0,0,0|2,0,0]=4 42003 B14R1.20339 FCCOCCc1c(cccc1F)F 7a_100011975733_100011217306 [0,2,0,0,0,0|2,0,0]=4 42004 B14R1.20339 FCCSCCc1c(cccc1Cl)Cl 62a_100011217306_100012161200 [0,2,0,0,0,0|2,0,0]=4 42005 B14R1.20339 FCCSCCc1c(cccc1Cl)Cl 62a_100012161200_100011217306 [0,2,0,0,0,0|2,0,0]=4 42006 B14R1.20339 FCOCCCc1c(cccc1Br)F 34a_100021413403_100015361967 [0,2,0,0,0,0|2,0,0]=4 42007 B14R1.20339 FCOCCCc1c(cccc1Br)F 7a_100021413403_100015361967 [0,2,0,0,0,0|2,0,0]=4 42008 B14R1.20339 Fc1cccc(c1COCCCBr)Br 34a_100011217188_100012145669 [0,2,0,0,0,0|2,0,0]=4 42009 B14R1.20339 Fc1cccc(c1COCCCBr)Cl 34a_100011217188_100000187852 [0,2,0,0,0,0|2,0,0]=4 42010 B14R1.20339 Fc1cccc(c1COCCCBr)F 34a_100011217188_100000698325 [0,2,0,0,0,0|2,0,0]=4 42011 B14R1.20339 Fc1cccc(c1COCCCBr)I 34a_100011217188_100010149602 [0,2,0,0,0,0|2,0,0]=4 42012 B14R1.20339 Fc1cccc(c1COCCCCl)Br 34a_100000230001_100012145669 [0,2,0,0,0,0|2,0,0]=4 42013 B14R1.20339 Fc1cccc(c1COCCCCl)Cl 34a_100000230001_100000187852 [0,2,0,0,0,0|2,0,0]=4 42014 B14R1.20339 Fc1cccc(c1COCCCCl)F 34a_100000230001_100000698325 [0,2,0,0,0,0|2,0,0]=4 42015 B14R1.20339 Fc1cccc(c1COCCCCl)I 34a_100000230001_100010149602 [0,2,0,0,0,0|2,0,0]=4 42016 B14R1.20339 NCCCOCc1c(cccc1Br)Cl 34a_100000182051_100010138402 [0,2,0,0,0,0|2,0,0]=4 42017 B14R1.20339 NCCCOCc1c(cccc1Br)F 34a_100000182051_100012145669 [0,2,0,0,0,0|2,0,0]=4 42018 B14R1.20339 NCCCOCc1c(cccc1Cl)Cl 34a_100000182051_100000187851 [0,2,0,0,0,0|2,0,0]=4 42019 B14R1.20339 NCCCOCc1c(cccc1Cl)F 34a_100000182051_100000187852 [0,2,0,0,0,0|2,0,0]=4 42020 B14R1.20339 NCCCOCc1c(cccc1F)F 34a_100000182051_100000698325 [0,2,0,0,0,0|2,0,0]=4 42021 B14R1.20339 NCCCOCc1c(cccc1I)Br 34a_100000182051_100010146611 [0,2,0,0,0,0|2,0,0]=4 42022 B14R1.20339 NCCCOCc1c(cccc1I)F 34a_100000182051_100010149602 [0,2,0,0,0,0|2,0,0]=4 42023 B14R1.20339 NCCOCCc1c(cccc1Cl)Cl 34a_100000210304_100012161200 [0,2,0,0,0,0|2,0,0]=4 42024 B14R1.20339 Nc1cccc(c1COCCCF)Br 34a_100000747656_100011934791 [0,2,0,0,0,0|2,0,0]=4 42025 B14R1.20339 Nc1cccc(c1COCCCF)Cl 34a_100011916388_100011934791 [0,2,0,0,0,0|2,0,0]=4 42026 B14R1.20339 Nc1cccc(c1COCCCF)F 34a_100011846719_100011934791 [0,2,0,0,0,0|2,0,0]=4 42027 B14R1.20339 Nc1cccc(c1COCCCO)Br 34a_100000747656_100000230001 [0,2,0,0,0,0|1,0,0]=3 42028 B14R1.20339 Nc1cccc(c1COCCCO)Cl 34a_100011916388_100000230001 [0,2,0,0,0,0|1,0,0]=3 42029 B14R1.20339 Nc1cccc(c1COCCCO)F 34a_100011846719_100000230001 [0,2,0,0,0,0|1,0,0]=3 42030 B14R1.20339 Nc1cccc(c1OCCCCF)Br 34a_100011934915_100000729493 [0,2,0,0,0,0|2,0,0]=4 42031 B14R1.20339 Nc1cccc(c1OCCCCF)Cl 34a_100000754742_100000729493 [0,2,0,0,0,0|2,0,0]=4 42032 B14R1.20339 Nc1cccc(c1OCCCCF)F 34a_100011934987_100000729493 [0,2,0,0,0,0|2,0,0]=4 42033 B14R1.20339 Nc1cccc(c1OCCCCF)I 34a_100010084371_100000729493 [0,2,0,0,0,0|2,0,0]=4 42034 B14R1.20339 Nc1cccc(c1OCCCCF)N 34a_200016994477_100000729493 [0,2,0,0,0,0|2,0,0]=4 42035 B14R1.20339 Nc1cccc(c1OCCCCO)Br 34a_100011934915_100011216708 [0,2,0,0,0,0|1,0,0]=3 42036 B14R1.20339 Nc1cccc(c1OCCCCO)Cl 34a_100000754742_100011216708 [0,2,0,0,0,0|1,0,0]=3 42037 B14R1.20339 Nc1cccc(c1OCCCCO)F 34a_100011934987_100011216708 [0,2,0,0,0,0|1,0,0]=3 42038 B14R1.20339 Nc1cccc(c1OCCCCO)I 34a_100010084371_100011216708 [0,2,0,0,0,0|1,0,0]=3 42039 B14R1.20339 Nc1cccc(c1OCCCCO)N 34a_200016994477_100011216708 [0,2,0,0,0,0|1,0,0]=3 42040 B14R1.20339 Nc1cccc(c1SCCCCF)Br 62a_100000729493_100020590159 [0,2,0,0,0,0|2,0,0]=4 42041 B14R1.20339 Nc1cccc(c1SCCCCF)Br 62a_100020590159_100000729493 [0,2,0,0,0,0|2,0,0]=4 42042 B14R1.20339 Nc1cccc(c1SCCCCF)Cl 62a_100000049713_100000729493 [0,2,0,0,0,0|2,0,0]=4 42043 B14R1.20339 Nc1cccc(c1SCCCCF)Cl 62a_100000729493_100000049713 [0,2,0,0,0,0|2,0,0]=4 42044 B14R1.20339 Nc1cccc(c1SCCCCF)F 62a_100000690935_100000729493 [0,2,0,0,0,0|2,0,0]=4 42045 B14R1.20339 Nc1cccc(c1SCCCCF)F 62a_100000729493_100000690935 [0,2,0,0,0,0|2,0,0]=4 42046 B14R1.20339 Nc1cccc(c1SCCCCF)O 62a_100000729493_100012183704 [0,2,0,0,0,0|2,0,0]=4 42047 B14R1.20339 Nc1cccc(c1SCCCCF)O 62a_100012183704_100000729493 [0,2,0,0,0,0|2,0,0]=4 42048 B14R1.20339 Nc1cccc(c1SCCCCO)Br 62a_100000210776_100020590159 [0,2,0,0,0,0|1,0,0]=3 42049 B14R1.20339 Nc1cccc(c1SCCCCO)Br 62a_100020590159_100000210776 [0,2,0,0,0,0|1,0,0]=3 42050 B14R1.20339 Nc1cccc(c1SCCCCO)Cl 62a_100000049713_100000210776 [0,2,0,0,0,0|1,0,0]=3 42051 B14R1.20339 Nc1cccc(c1SCCCCO)Cl 62a_100000210776_100000049713 [0,2,0,0,0,0|1,0,0]=3 42052 B14R1.20339 Nc1cccc(c1SCCCCO)F 62a_100000210776_100000690935 [0,2,0,0,0,0|1,0,0]=3 42053 B14R1.20339 Nc1cccc(c1SCCCCO)F 62a_100000690935_100000210776 [0,2,0,0,0,0|1,0,0]=3 42054 B14R1.20339 Nc1cccc(c1SCCCCO)O 62a_100000210776_100012183704 [0,2,0,0,0,0|1,0,0]=3 42055 B14R1.20339 Nc1cccc(c1SCCCCO)O 62a_100012183704_100000210776 [0,2,0,0,0,0|1,0,0]=3 42056 B14R1.20339 Nc1ccnc(c1OCCCCO)Cl 34a_100009844647_100011216708 [0,2,0,0,0,0|2,0,0]=4 42057 B14R1.20339 Nc1ccnc(c1OCCCCO)Cl 7a_100009844647_100000210776 [0,2,0,0,0,0|2,0,0]=4 42058 B14R1.20339 Nc1ccnc(c1SCCCCO)Cl 62a_100000210776_100010208016 [0,2,0,0,0,0|2,0,0]=4 42059 B14R1.20339 Nc1ccnc(c1SCCCCO)Cl 62a_100010208016_100000210776 [0,2,0,0,0,0|2,0,0]=4 42060 B14R1.20339 Nc1ccnc(c1SCCCCO)F 62a_100000210776_100010381272 [0,2,0,0,0,0|2,0,0]=4 42061 B14R1.20339 Nc1ccnc(c1SCCCCO)F 62a_100010381272_100000210776 [0,2,0,0,0,0|2,0,0]=4 42062 B14R1.20339 Nc1nccc(c1SCCCCO)Cl 62a_100000210776_100010199028 [0,2,0,0,0,0|2,0,0]=4 42063 B14R1.20339 Nc1nccc(c1SCCCCO)Cl 62a_100010199028_100000210776 [0,2,0,0,0,0|2,0,0]=4 42064 B14R1.20339 OCCCCNc1c(cccc1Br)Br 34a_100000690995_100011216708 [0,2,0,0,0,0|1,0,0]=3 42065 B14R1.20339 OCCCCNc1c(cccc1Br)Cl 34a_100102946385_100011216708 [0,2,0,0,0,0|1,0,0]=3 42066 B14R1.20339 OCCCCNc1c(cccc1Br)F 34a_100000684712_100011216708 [0,2,0,0,0,0|1,0,0]=3 42067 B14R1.20339 OCCCCNc1c(cccc1Br)O 34a_100011934926_100011216708 [0,2,0,0,0,0|1,0,0]=3 42068 B14R1.20339 OCCCCNc1c(cccc1Cl)Cl 34a_100000210028_100011216708 [0,2,0,0,0,0|1,0,0]=3 42069 B14R1.20339 OCCCCNc1c(cccc1Cl)F 34a_100000760031_100011216708 [0,2,0,0,0,0|1,0,0]=3 42070 B14R1.20339 OCCCCNc1c(cccc1Cl)O 34a_100012022510_100011216708 [0,2,0,0,0,0|1,0,0]=3 42071 B14R1.20339 OCCCCNc1c(cccc1F)F 2230a_100000210704_100000210776 [0,2,0,0,0,0|1,0,0]=3 42072 B14R1.20339 OCCCCNc1c(cccc1F)F 34a_100000210704_100011216708 [0,2,0,0,0,0|1,0,0]=3 42073 B14R1.20339 OCCCCNc1c(cccc1F)O 34a_100020591140_100011216708 [0,2,0,0,0,0|1,0,0]=3 42074 B14R1.20339 OCCCCNc1c(cccc1I)F 34a_100000042321_100011216708 [0,2,0,0,0,0|1,0,0]=3 42075 B14R1.20339 OCCCCNc1c(ccnc1F)F 27a_100000750430_100009874084 [0,2,0,0,0,0|2,0,0]=4 42076 B14R1.20339 OCCCCOc1c(cccc1Br)Br 34a_100000736428_100011216708 [0,2,0,0,0,0|1,0,0]=3 42077 B14R1.20339 OCCCCOc1c(cccc1Br)Br 7a_100000736428_100000210776 [0,2,0,0,0,0|1,0,0]=3 42078 B14R1.20339 OCCCCOc1c(cccc1Br)Cl 34a_100010214474_100011216708 [0,2,0,0,0,0|1,0,0]=3 42079 B14R1.20339 OCCCCOc1c(cccc1Br)Cl 7a_100010214474_100000210776 [0,2,0,0,0,0|1,0,0]=3 42080 B14R1.20339 OCCCCOc1c(cccc1Br)F 34a_100009813666_100011216708 [0,2,0,0,0,0|1,0,0]=3 42081 B14R1.20339 OCCCCOc1c(cccc1Br)F 7a_100009813666_100000210776 [0,2,0,0,0,0|1,0,0]=3 42082 B14R1.20339 OCCCCOc1c(cccc1Cl)Cl 34a_100000211709_100011216708 [0,2,0,0,0,0|1,0,0]=3 42083 B14R1.20339 OCCCCOc1c(cccc1Cl)Cl 7a_100000211709_100000210776 [0,2,0,0,0,0|1,0,0]=3 42084 B14R1.20339 OCCCCOc1c(cccc1Cl)F 34a_100000694953_100011216708 [0,2,0,0,0,0|1,0,0]=3 42085 B14R1.20339 OCCCCOc1c(cccc1Cl)F 7a_100000694953_100000210776 [0,2,0,0,0,0|1,0,0]=3 42086 B14R1.20339 OCCCCOc1c(cccc1F)F 34a_100000230165_100011216708 [0,2,0,0,0,0|1,0,0]=3 42087 B14R1.20339 OCCCCOc1c(cccc1F)F 7a_100000230165_100000210776 [0,2,0,0,0,0|1,0,0]=3 42088 B14R1.20339 OCCCCOc1c(cccc1I)Br 34a_100010084509_100011216708 [0,2,0,0,0,0|1,0,0]=3 42089 B14R1.20339 OCCCCOc1c(cccc1I)Br 7a_100010084509_100000210776 [0,2,0,0,0,0|1,0,0]=3 42090 B14R1.20339 OCCCCOc1c(cccc1I)Cl 34a_100010202889_100011216708 [0,2,0,0,0,0|1,0,0]=3 42091 B14R1.20339 OCCCCOc1c(cccc1I)Cl 7a_100010202889_100000210776 [0,2,0,0,0,0|1,0,0]=3 42092 B14R1.20339 OCCCCOc1c(cccc1I)F 34a_100010186298_100011216708 [0,2,0,0,0,0|1,0,0]=3 42093 B14R1.20339 OCCCCOc1c(cccc1I)F 7a_100010186298_100000210776 [0,2,0,0,0,0|1,0,0]=3 42094 B14R1.20339 OCCCCOc1c(ccnc1Cl)Cl 34a_100000118450_100011216708 [0,2,0,0,0,0|2,0,0]=4 42095 B14R1.20339 OCCCCOc1c(ccnc1Cl)Cl 7a_100000118450_100000210776 [0,2,0,0,0,0|2,0,0]=4 42096 B14R1.20339 OCCCCOc1c(ccnc1Cl)F 34a_100009867227_100011216708 [0,2,0,0,0,0|2,0,0]=4 42097 B14R1.20339 OCCCCOc1c(ccnc1Cl)F 7a_100009867227_100000210776 [0,2,0,0,0,0|2,0,0]=4 42098 B14R1.20339 OCCCCOc1c(ccnc1Cl)I 34a_100010067911_100011216708 [0,2,0,0,0,0|2,0,0]=4 42099 B14R1.20339 OCCCCOc1c(ccnc1Cl)I 7a_100010067911_100000210776 [0,2,0,0,0,0|2,0,0]=4 42100 B14R1.20339 OCCCCSc1c(cccc1Br)Br 62a_100000210776_100009994525 [0,2,0,0,0,0|1,0,0]=3 42101 B14R1.20339 OCCCCSc1c(cccc1Br)Br 62a_100009994525_100000210776 [0,2,0,0,0,0|1,0,0]=3 42102 B14R1.20339 OCCCCSc1c(cccc1Br)Cl 62a_100000210776_100010214488 [0,2,0,0,0,0|1,0,0]=3 42103 B14R1.20339 OCCCCSc1c(cccc1Br)Cl 62a_100010214488_100000210776 [0,2,0,0,0,0|1,0,0]=3 42104 B14R1.20339 OCCCCSc1c(cccc1Br)F 62a_100000210776_100011219512 [0,2,0,0,0,0|1,0,0]=3 42105 B14R1.20339 OCCCCSc1c(cccc1Br)F 62a_100011219512_100000210776 [0,2,0,0,0,0|1,0,0]=3 42106 B14R1.20339 OCCCCSc1c(cccc1Br)O 62a_100000210776_100010187912 [0,2,0,0,0,0|1,0,0]=3 42107 B14R1.20339 OCCCCSc1c(cccc1Br)O 62a_100010187912_100000210776 [0,2,0,0,0,0|1,0,0]=3 42108 B14R1.20339 OCCCCSc1c(cccc1Cl)Cl 62a_100000034237_100000210776 [0,2,0,0,0,0|1,0,0]=3 42109 B14R1.20339 OCCCCSc1c(cccc1Cl)Cl 62a_100000210776_100000034237 [0,2,0,0,0,0|1,0,0]=3 42110 B14R1.20339 OCCCCSc1c(cccc1Cl)F 62a_100000050007_100000210776 [0,2,0,0,0,0|1,0,0]=3 42111 B14R1.20339 OCCCCSc1c(cccc1Cl)F 62a_100000210776_100000050007 [0,2,0,0,0,0|1,0,0]=3 42112 B14R1.20339 OCCCCSc1c(cccc1Cl)O 62a_100000210776_100000050174 [0,2,0,0,0,0|1,0,0]=3 42113 B14R1.20339 OCCCCSc1c(cccc1F)F 62a_100000210776_100000693133 [0,2,0,0,0,0|1,0,0]=3 42114 B14R1.20339 OCCCCSc1c(cccc1F)F 62a_100000693133_100000210776 [0,2,0,0,0,0|1,0,0]=3 42115 B14R1.20339 OCCCCSc1c(cccc1F)O 62a_100000210776_100009820682 [0,2,0,0,0,0|1,0,0]=3 42116 B14R1.20339 OCCCCSc1c(cccc1F)O 62a_100009820682_100000210776 [0,2,0,0,0,0|1,0,0]=3 42117 B14R1.20339 OCCCCSc1c(cccc1O)O 62a_100000210776_100010205330 [0,2,0,0,0,0|1,0,0]=3 42118 B14R1.20339 OCCCCSc1c(ccnc1Cl)Br 62a_100000210776_100009814607 [0,2,0,0,0,0|2,0,0]=4 42119 B14R1.20339 OCCCCSc1c(ccnc1Cl)Br 62a_100009814607_100000210776 [0,2,0,0,0,0|2,0,0]=4 42120 B14R1.20339 OCCCCSc1c(ccnc1Cl)Cl 62a_100000050019_100000210776 [0,2,0,0,0,0|2,0,0]=4 42121 B14R1.20339 OCCCCSc1c(ccnc1Cl)Cl 62a_100000210776_100000050019 [0,2,0,0,0,0|2,0,0]=4 42122 B14R1.20339 OCCCCSc1c(ccnc1Cl)F 62a_100000210776_100000716511 [0,2,0,0,0,0|2,0,0]=4 42123 B14R1.20339 OCCCCSc1c(ccnc1Cl)F 62a_100000716511_100000210776 [0,2,0,0,0,0|2,0,0]=4 42124 B14R1.20339 OCCCCSc1c(ccnc1F)F 62a_100000210776_100009874084 [0,2,0,0,0,0|2,0,0]=4 42125 B14R1.20339 OCCCCSc1c(ccnc1F)F 62a_100009874084_100000210776 [0,2,0,0,0,0|2,0,0]=4 42126 B14R1.20339 OCCCCSc1c(ccnc1O)O 62a_100000210776_200009817435 [0,2,0,0,0,0|2,0,0]=4 42127 B14R1.20339 OCCCCSc1c(cncc1Br)Br 62a_100000210776_100010172828 [0,2,0,0,0,0|2,0,0]=4 42128 B14R1.20339 OCCCCSc1c(cncc1Br)Br 62a_100010172828_100000210776 [0,2,0,0,0,0|2,0,0]=4 42129 B14R1.20339 OCCCCSc1c(cncc1Cl)Cl 62a_100000036193_100000210776 [0,2,0,0,0,0|2,0,0]=4 42130 B14R1.20339 OCCCCSc1c(cncc1Cl)Cl 62a_100000210776_100000036193 [0,2,0,0,0,0|2,0,0]=4 42131 B14R1.20339 OCCCCSc1c(cncc1F)F 62a_100000210776_100000760538 [0,2,0,0,0,0|2,0,0]=4 42132 B14R1.20339 OCCCCSc1c(cncc1F)F 62a_100000760538_100000210776 [0,2,0,0,0,0|2,0,0]=4 42133 B14R1.20339 OCCCNCc1c(cccc1Br)Br 207a_100000182051_100010233043 [0,2,0,0,0,0|1,0,0]=3 42134 B14R1.20339 OCCCNCc1c(cccc1Br)Br 270004a_100000182051_100010233043 [0,2,0,0,0,0|1,0,0]=3 42135 B14R1.20339 OCCCNCc1c(cccc1Br)Cl 207a_100000182051_100011249081 [0,2,0,0,0,0|1,0,0]=3 42136 B14R1.20339 OCCCNCc1c(cccc1Br)Cl 270004a_100000182051_100011249081 [0,2,0,0,0,0|1,0,0]=3 42137 B14R1.20339 OCCCNCc1c(cccc1Br)F 207a_100000182051_100000752695 [0,2,0,0,0,0|1,0,0]=3 42138 B14R1.20339 OCCCNCc1c(cccc1Br)F 270004a_100000182051_100000752695 [0,2,0,0,0,0|1,0,0]=3 42139 B14R1.20339 OCCCNCc1c(cccc1Br)F 34a_100012349121_100000230001 [0,2,0,0,0,0|1,0,0]=3 42140 B14R1.20339 OCCCNCc1c(cccc1Cl)Cl 207a_100000182051_100000189306 [0,2,0,0,0,0|1,0,0]=3 42141 B14R1.20339 OCCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000230001 [0,2,0,0,0,0|1,0,0]=3 42142 B14R1.20339 OCCCNCc1c(cccc1Cl)Cl 270004a_100000182051_100000189306 [0,2,0,0,0,0|1,0,0]=3 42143 B14R1.20339 OCCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000230001 [0,2,0,0,0,0|1,0,0]=3 42144 B14R1.20339 OCCCNCc1c(cccc1Cl)F 207a_100000182051_100000210083 [0,2,0,0,0,0|1,0,0]=3 42145 B14R1.20339 OCCCNCc1c(cccc1Cl)F 270004a_100000182051_100000210083 [0,2,0,0,0,0|1,0,0]=3 42146 B14R1.20339 OCCCNCc1c(cccc1Cl)F 34a_100000174883_100000230001 [0,2,0,0,0,0|1,0,0]=3 42147 B14R1.20339 OCCCNCc1c(cccc1F)F 207a_100000182051_100000211061 [0,2,0,0,0,0|1,0,0]=3 42148 B14R1.20339 OCCCNCc1c(cccc1F)F 270004a_100000182051_100000211061 [0,2,0,0,0,0|1,0,0]=3 42149 B14R1.20339 OCCCNCc1c(cccc1F)F 34a_100000688400_100000230001 [0,2,0,0,0,0|1,0,0]=3 42150 B14R1.20339 OCCCNCc1c(cccc1I)Cl 207a_100000182051_100010147682 [0,2,0,0,0,0|1,0,0]=3 42151 B14R1.20339 OCCCNCc1c(cccc1I)Cl 270004a_100000182051_100010147682 [0,2,0,0,0,0|1,0,0]=3 42152 B14R1.20339 OCCCNCc1c(cccc1I)F 207a_100000182051_100010178011 [0,2,0,0,0,0|1,0,0]=3 42153 B14R1.20339 OCCCNCc1c(cccc1I)F 270004a_100000182051_100010178011 [0,2,0,0,0,0|1,0,0]=3 42154 B14R1.20339 OCCCNCc1c(cncc1Br)Br 207a_100000182051_100000689152 [0,2,0,0,0,0|2,0,0]=4 42155 B14R1.20339 OCCCNCc1c(cncc1Br)Br 270004a_100000182051_100000689152 [0,2,0,0,0,0|2,0,0]=4 42156 B14R1.20339 OCCCNCc1c(cncc1Br)Cl 207a_100000182051_100010064873 [0,2,0,0,0,0|2,0,0]=4 42157 B14R1.20339 OCCCNCc1c(cncc1Br)Cl 270004a_100000182051_100010064873 [0,2,0,0,0,0|2,0,0]=4 42158 B14R1.20339 OCCCNCc1c(cncc1Br)F 207a_100000182051_100010064882 [0,2,0,0,0,0|2,0,0]=4 42159 B14R1.20339 OCCCNCc1c(cncc1Br)F 270004a_100000182051_100010064882 [0,2,0,0,0,0|2,0,0]=4 42160 B14R1.20339 OCCCNCc1c(cncc1Cl)Cl 207a_100000182051_100000067493 [0,2,0,0,0,0|2,0,0]=4 42161 B14R1.20339 OCCCNCc1c(cncc1Cl)Cl 270004a_100000182051_100000067493 [0,2,0,0,0,0|2,0,0]=4 42162 B14R1.20339 OCCCNCc1c(cncc1F)F 207a_100000182051_100000068831 [0,2,0,0,0,0|2,0,0]=4 42163 B14R1.20339 OCCCOCc1c(cccc1Br)Br 34a_100010172814_100000230001 [0,2,0,0,0,0|1,0,0]=3 42164 B14R1.20339 OCCCOCc1c(cccc1Br)Br 7a_100010172814_100011215043 [0,2,0,0,0,0|1,0,0]=3 42165 B14R1.20339 OCCCOCc1c(cccc1Br)F 34a_100012355691_100000230001 [0,2,0,0,0,0|1,0,0]=3 42166 B14R1.20339 OCCCOCc1c(cccc1Br)F 7a_100012355691_100011215043 [0,2,0,0,0,0|1,0,0]=3 42167 B14R1.20339 OCCCOCc1c(cccc1Cl)Cl 34a_100000215722_100000230001 [0,2,0,0,0,0|1,0,0]=3 42168 B14R1.20339 OCCCOCc1c(cccc1Cl)Cl 7a_100000215722_100011215043 [0,2,0,0,0,0|1,0,0]=3 42169 B14R1.20339 OCCCOCc1c(cccc1Cl)F 34a_100000215723_100000230001 [0,2,0,0,0,0|1,0,0]=3 42170 B14R1.20339 OCCCOCc1c(cccc1Cl)F 7a_100000215723_100011215043 [0,2,0,0,0,0|1,0,0]=3 42171 B14R1.20339 OCCCOCc1c(cccc1F)F 34a_100000698215_100000230001 [0,2,0,0,0,0|1,0,0]=3 42172 B14R1.20339 OCCCOCc1c(cccc1F)F 7a_100000698215_100011215043 [0,2,0,0,0,0|1,0,0]=3 42173 B14R1.20339 OCCCOCc1c(cccc1I)F 34a_100010214973_100000230001 [0,2,0,0,0,0|1,0,0]=3 42174 B14R1.20339 OCCCOCc1c(cccc1I)F 7a_100010214973_100011215043 [0,2,0,0,0,0|1,0,0]=3 42175 B14R1.20339 OCCCOCc1c(ccnc1Br)Br 34a_200015784018_100000230001 [0,2,0,0,0,0|2,0,0]=4 42176 B14R1.20339 OCCCOCc1c(ccnc1Br)Br 7a_200015784018_100011215043 [0,2,0,0,0,0|2,0,0]=4 42177 B14R1.20339 OCCCOCc1c(ccnc1Cl)Cl 34a_200009882739_100000230001 [0,2,0,0,0,0|2,0,0]=4 42178 B14R1.20339 OCCCOCc1c(ccnc1Cl)Cl 7a_200009882739_100011215043 [0,2,0,0,0,0|2,0,0]=4 42179 B14R1.20339 OCCCOCc1c(ccnc1Cl)I 7a_100000047008_100011215043 [0,2,0,0,0,0|2,0,0]=4 42180 B14R1.20339 OCCCOCc1c(ccnc1F)I 34a_100000050056_100000230001 [0,2,0,0,0,0|2,0,0]=4 42181 B14R1.20339 OCCCOCc1c(ccnc1F)I 7a_100000050056_100011215043 [0,2,0,0,0,0|2,0,0]=4 42182 B14R1.20339 OCCCSCc1c(cccc1Br)Cl 62a_100010138402_100011215043 [0,2,0,0,0,0|1,0,0]=3 42183 B14R1.20339 OCCCSCc1c(cccc1Br)Cl 62a_100011215043_100010138402 [0,2,0,0,0,0|1,0,0]=3 42184 B14R1.20339 OCCCSCc1c(cccc1Br)F 62a_100011215043_100012145669 [0,2,0,0,0,0|1,0,0]=3 42185 B14R1.20339 OCCCSCc1c(cccc1Br)F 62a_100012145669_100011215043 [0,2,0,0,0,0|1,0,0]=3 42186 B14R1.20339 OCCCSCc1c(cccc1Cl)Cl 62a_100000187851_100011215043 [0,2,0,0,0,0|1,0,0]=3 42187 B14R1.20339 OCCCSCc1c(cccc1Cl)Cl 62a_100011215043_100000187851 [0,2,0,0,0,0|1,0,0]=3 42188 B14R1.20339 OCCCSCc1c(cccc1Cl)F 62a_100000187852_100011215043 [0,2,0,0,0,0|1,0,0]=3 42189 B14R1.20339 OCCCSCc1c(cccc1Cl)F 62a_100011215043_100000187852 [0,2,0,0,0,0|1,0,0]=3 42190 B14R1.20339 OCCCSCc1c(cccc1F)F 62a_100000709179_100011215043 [0,2,0,0,0,0|1,0,0]=3 42191 B14R1.20339 OCCCSCc1c(cccc1F)F 62a_100011215043_100000698325 [0,2,0,0,0,0|1,0,0]=3 42192 B14R1.20339 OCCCSCc1c(cccc1I)Br 62a_100010146611_100011215043 [0,2,0,0,0,0|1,0,0]=3 42193 B14R1.20339 OCCCSCc1c(cccc1I)Br 62a_100011215043_100010146611 [0,2,0,0,0,0|1,0,0]=3 42194 B14R1.20339 OCCCSCc1c(cccc1I)F 62a_100010149602_100011215043 [0,2,0,0,0,0|1,0,0]=3 42195 B14R1.20339 OCCCSCc1c(cccc1I)F 62a_100011215043_100010149602 [0,2,0,0,0,0|1,0,0]=3 42196 B14R1.20339 OCCCSCc1c(cncc1Cl)Cl 62a_100011215043_200009872113 [0,2,0,0,0,0|2,0,0]=4 42197 B14R1.20339 OCCCSCc1c(cncc1Cl)Cl 62a_200009872113_100011215043 [0,2,0,0,0,0|2,0,0]=4 42198 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 2230a_100016997473_100012161200 [0,2,0,0,0,0|1,0,0]=3 42199 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000211926 [0,2,0,0,0,0|1,0,0]=3 42200 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 34a_100016990907_100012161200 [0,2,0,0,0,0|1,0,0]=3 42201 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000211926 [0,2,0,0,0,0|1,0,0]=3 42202 B14R1.20339 OCCNCCc1c(cccc1Cl)F 2230a_100000688150_100000211926 [0,2,0,0,0,0|1,0,0]=3 42203 B14R1.20339 OCCNCCc1c(cccc1Cl)F 34a_100000688150_100000211926 [0,2,0,0,0,0|1,0,0]=3 42204 B14R1.20339 OCCOCCc1c(cccc1Cl)Cl 34a_100011934077_100000211926 [0,2,0,0,0,0|1,0,0]=3 42205 B14R1.20339 OCCOCCc1c(cccc1Cl)Cl 7a_100011934077_100000211926 [0,2,0,0,0,0|1,0,0]=3 42206 B14R1.20339 OCCOCCc1c(cccc1Cl)F 34a_100011273940_100000211926 [0,2,0,0,0,0|1,0,0]=3 42207 B14R1.20339 OCCOCCc1c(cccc1Cl)F 7a_100011273940_100000211926 [0,2,0,0,0,0|1,0,0]=3 42208 B14R1.20339 OCCOCCc1c(cccc1F)F 34a_100011975733_100000211926 [0,2,0,0,0,0|1,0,0]=3 42209 B14R1.20339 OCCOCCc1c(cccc1F)F 7a_100011975733_100000211926 [0,2,0,0,0,0|1,0,0]=3 42210 B14R1.20339 OCCSCCc1c(cccc1Cl)Cl 62a_100000211926_100012161200 [0,2,0,0,0,0|1,0,0]=3 42211 B14R1.20339 OCCSCCc1c(cccc1Cl)Cl 62a_100012161200_100000211926 [0,2,0,0,0,0|1,0,0]=3 42212 B14R1.20339 Oc1cccc(c1NCCCCF)Br 34a_100011934926_100000729493 [0,2,0,0,0,0|2,0,0]=4 42213 B14R1.20339 Oc1cccc(c1NCCCCF)Cl 34a_100012022510_100000729493 [0,2,0,0,0,0|2,0,0]=4 42214 B14R1.20339 Oc1cccc(c1NCCCCF)F 34a_100020591140_100000729493 [0,2,0,0,0,0|2,0,0]=4 42215 B14R1.20339 Oc1cccc(c1SCCCCF)Br 62a_100000729493_100010187912 [0,2,0,0,0,0|2,0,0]=4 42216 B14R1.20339 Oc1cccc(c1SCCCCF)Br 62a_100010187912_100000729493 [0,2,0,0,0,0|2,0,0]=4 42217 B14R1.20339 Oc1cccc(c1SCCCCF)Cl 62a_100000729493_100000050174 [0,2,0,0,0,0|2,0,0]=4 42218 B14R1.20339 Oc1cccc(c1SCCCCF)F 62a_100000729493_100009820682 [0,2,0,0,0,0|2,0,0]=4 42219 B14R1.20339 Oc1cccc(c1SCCCCF)F 62a_100009820682_100000729493 [0,2,0,0,0,0|2,0,0]=4 42220 B14R1.20339 Oc1cccc(c1SCCCCF)O 62a_100000729493_100010205330 [0,2,0,0,0,0|2,0,0]=4 42221 B14R1.292 CC(C)(CCl)COCc1ccccc1 7a_100011217199_100000211182 [0,2,0,0,0,0|2,0,0]=4 42222 B14R1.292 CC(C)(CCl)OCCc1ccccc1 7a_100000764493_100000765856 [0,2,0,0,0,0|2,0,0]=4 42223 B14R1.292 CC(C)(CO)CNCc1ccccc1 207a_100020635058_100015611070 [0,2,0,0,0,0|1,0,0]=3 42224 B14R1.292 CC(C)(CO)CNCc1ccccc1 2230a_100020635058_100015291786 [0,2,0,0,0,0|1,0,0]=3 42225 B14R1.292 CC(C)(CO)CNCc1ccccc1 270004a_100020635058_100015611070 [0,2,0,0,0,0|1,0,0]=3 42226 B14R1.292 CC(C)(CO)CNCc1ccccc1 34a_100015324214_100009813988 [0,2,0,0,0,0|1,0,0]=3 42227 B14R1.292 CC(C)(CO)CNCc1ccccn1 207a_100020635058_100000209966 [0,2,0,0,0,0|2,0,0]=4 42228 B14R1.292 CC(C)(CO)CNCc1ccccn1 2230a_100020635058_100000721315 [0,2,0,0,0,0|2,0,0]=4 42229 B14R1.292 CC(C)(CO)CNCc1ccccn1 270004a_100020635058_100000209966 [0,2,0,0,0,0|2,0,0]=4 42230 B14R1.292 CC(C)(CO)CNCc1cccnc1 207a_100020635058_100000209961 [0,2,0,0,0,0|2,0,0]=4 42231 B14R1.292 CC(C)(CO)CNCc1cccnc1 2230a_100020635058_100000741622 [0,2,0,0,0,0|2,0,0]=4 42232 B14R1.292 CC(C)(CO)CNCc1cccnc1 270004a_100020635058_100000209961 [0,2,0,0,0,0|2,0,0]=4 42233 B14R1.292 CC(C)(CO)CNCc1ccncc1 207a_100020635058_100000186114 [0,2,0,0,0,0|2,0,0]=4 42234 B14R1.292 CC(C)(CO)CNCc1ccncc1 2230a_100020635058_100015193705 [0,2,0,0,0,0|2,0,0]=4 42235 B14R1.292 CC(C)(CO)COCc1ccccc1 34a_100000210790_100009813988 [0,2,0,0,0,0|1,0,0]=3 42236 B14R1.292 CC(C)(CO)COCc1ccccc1 7a_100000210790_100009813988 [0,2,0,0,0,0|1,0,0]=3 42237 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100000211182_100009813988 [0,2,0,0,0,0|1,0,0]=3 42238 B14R1.292 CC(C)(CO)CSCc1ccccc1 62a_100009813988_100015291786 [0,2,0,0,0,0|1,0,0]=3 42239 B14R1.292 CC(C)(CO)CSCc1ccccn1 62a_100000721315_100009813988 [0,2,0,0,0,0|2,0,0]=4 42240 B14R1.292 CC(C)(CO)CSCc1ccccn1 62a_100009813988_100000721315 [0,2,0,0,0,0|2,0,0]=4 42241 B14R1.292 CC(C)(CO)CSCc1cccnc1 62a_100000741622_100009813988 [0,2,0,0,0,0|2,0,0]=4 42242 B14R1.292 CC(C)(CO)CSCc1cccnc1 62a_100009813988_100000741622 [0,2,0,0,0,0|2,0,0]=4 42243 B14R1.292 CC(C)(CO)CSCc1ccncc1 62a_100009813988_100015193705 [0,2,0,0,0,0|2,0,0]=4 42244 B14R1.292 CC(C)(CO)CSCc1ccncc1 62a_100015193705_100009813988 [0,2,0,0,0,0|2,0,0]=4 42245 B14R1.292 CC(C)(CO)NCCc1ccccc1 2230a_100000210608_100000765856 [0,2,0,0,0,0|1,0,0]=3 42246 B14R1.292 CC(C)(CO)NCCc1ccccn1 2230a_100000210608_100015183660 [0,2,0,0,0,0|2,0,0]=4 42247 B14R1.292 CC(C)(CO)NCCc1cccnc1 2230a_100000210608_200011713674 [0,2,0,0,0,0|2,0,0]=4 42248 B14R1.292 CC(C)(CO)NCCc1ccncc1 2230a_100000210608_100000723409 [0,2,0,0,0,0|2,0,0]=4 42249 B14R1.292 CC(C)(CO)NCSc1ccccc1 2230a_100000210608_100011218342 [0,2,0,0,0,0|2,0,0]=4 42250 B14R1.292 CCC(C)(C)COCc1ccccc1 7a_100000765029_100000211182 [0,2,0,0,0,0|2,0,0]=4 42251 B14R1.292 CCC(C)(C)NCCc1ccccc1 2230a_100000211385_100000765856 [0,2,0,0,0,0|2,0,0]=4 42252 B14R1.292 CCC(C)(C)OCCc1ccccc1 7a_100000210230_100000765856 [0,2,0,0,0,0|2,0,0]=4 42253 B14R1.292 CCC(C)(C)OCCc1ccccc1 7a_100000210268_100000210677 [0,2,0,0,0,0|2,0,0]=4 42254 B14R1.292 CCC(C)(C)SCCc1ccccc1 62a_100000032637_100011218657 [0,2,0,0,0,0|2,0,0]=4 42255 B14R1.292 CCC(C)(C)SCCc1ccccc1 62a_100000765856_100000032637 [0,2,0,0,0,0|2,0,0]=4 42256 B14R1.292 NCC(F)(F)COCc1ccccc1 34a_100000703232_100015291786 [0,2,0,0,0,0|2,0,0]=4 42257 B14R1.292 OCC(F)(F)CNCc1ccccc1 207a_100000703232_100015611070 [0,2,0,0,0,0|1,0,0]=3 42258 B14R1.292 OCC(F)(F)CNCc1ccccn1 207a_100000703232_100000209966 [0,2,0,0,0,0|2,0,0]=4 42259 B14R1.292 OCC(F)(F)CNCc1cccnc1 207a_100000703232_100000209961 [0,2,0,0,0,0|2,0,0]=4 42260 B14R1.292 OCC(F)(F)CNCc1ccncc1 207a_100000703232_100000186114 [0,2,0,0,0,0|2,0,0]=4 42261 B14R1.292 OCC(F)(F)SCCc1ccccc1 62a_100000765856_100011217949 [0,2,0,0,0,0|1,0,0]=3 42262 B14R1.292 OCC(F)(F)SCCc1ccccc1 62a_100011217949_100011218657 [0,2,0,0,0,0|1,0,0]=3 42263 B14R1.292 OCC(F)(F)SCCc1ccccn1 62a_100011217949_100015183660 [0,2,0,0,0,0|2,0,0]=4 42264 B14R1.292 OCC(F)(F)SCCc1ccccn1 62a_100015183660_100011217949 [0,2,0,0,0,0|2,0,0]=4 42265 B14R1.292 OCC(F)(F)SCCc1cccnc1 62a_100011217949_200011713674 [0,2,0,0,0,0|2,0,0]=4 42266 B14R1.292 OCC(F)(F)SCCc1cccnc1 62a_200011713674_100011217949 [0,2,0,0,0,0|2,0,0]=4 42267 B14R1.292 OCC(F)(F)SCCc1ccncc1 62a_100000723409_100011217949 [0,2,0,0,0,0|2,0,0]=4 42268 B14R1.292 OCC(F)(F)SCCc1ccncc1 62a_100011217949_100000723409 [0,2,0,0,0,0|2,0,0]=4 42269 B14R1.292 OCC(F)(F)SCSc1ccccc1 62a_100011217949_100011218342 [0,2,0,0,0,0|2,0,0]=4 42270 B14R1.292 OCC(F)(F)SCSc1ccccc1 62a_100011218342_100011217949 [0,2,0,0,0,0|2,0,0]=4 42271 B14R1.546 C#CC(CC)OCCc1ccccc1 34a_100000758843_100000765856 [0,2,0,0,0,0|2,0,0]=4 42272 B14R1.546 C#CC(CC)OCCc1ccccc1 7a_100000758843_100000765856 [0,2,0,0,0,0|2,0,0]=4 42273 B14R1.546 C=CC(CC)OCCc1ccccc1 34a_100000766422_100000765856 [0,2,0,0,0,0|2,0,0]=4 42274 B14R1.546 C=CC(CC)OCCc1ccccc1 7a_100000766422_100000765856 [0,2,0,0,0,0|2,0,0]=4 42275 B14R1.546 C=C[C@@H](CO)NCCc1ccccc1 2230a_100016989147_100000765856 [0,2,0,0,0,0|1,0,0]=3 42276 B14R1.546 C=C[C@@H](CO)NCCc1ccccc1 34a_100016989147_100000765856 [0,2,0,0,0,0|1,0,0]=3 42277 B14R1.546 C=C[C@@H](CO)NCCc1ccccn1 2230a_100016989147_100015183660 [0,2,0,0,0,0|2,0,0]=4 42278 B14R1.546 C=C[C@@H](CO)NCCc1cccnc1 2230a_100016989147_200011713674 [0,2,0,0,0,0|2,0,0]=4 42279 B14R1.546 C=C[C@@H](CO)NCCc1ccncc1 2230a_100016989147_100000723409 [0,2,0,0,0,0|2,0,0]=4 42280 B14R1.546 C=C[C@@H](CO)NCSc1ccccc1 2230a_100016989147_100011218342 [0,2,0,0,0,0|2,0,0]=4 42281 B14R1.546 CCC(CC)CNCc1ccccc1 207a_100102946423_100015611070 [0,2,0,0,0,0|2,0,0]=4 42282 B14R1.546 CCC(CC)CNCc1ccccc1 2230a_100015324214_100011215472 [0,2,0,0,0,0|2,0,0]=4 42283 B14R1.546 CCC(CC)CNCc1ccccc1 2230a_100102946423_100015291786 [0,2,0,0,0,0|2,0,0]=4 42284 B14R1.546 CCC(CC)CNCc1ccccc1 269862a_100015324214_100000211137 [0,2,0,0,0,0|2,0,0]=4 42285 B14R1.546 CCC(CC)CNCc1ccccc1 270004a_100015324214_100000211137 [0,2,0,0,0,0|2,0,0]=4 42286 B14R1.546 CCC(CC)CNCc1ccccc1 270004a_100102946423_100015611070 [0,2,0,0,0,0|2,0,0]=4 42287 B14R1.546 CCC(CC)CNCc1ccccc1 34a_100015324214_100011215472 [0,2,0,0,0,0|2,0,0]=4 42288 B14R1.546 CCC(CC)COCc1ccccc1 34a_100000210790_100011215472 [0,2,0,0,0,0|2,0,0]=4 42289 B14R1.546 CCC(CC)COCc1ccccc1 7a_100000210790_100011215472 [0,2,0,0,0,0|2,0,0]=4 42290 B14R1.546 CCC(CC)COCc1ccccc1 7a_100000703878_100000211182 [0,2,0,0,0,0|2,0,0]=4 42291 B14R1.546 CCC(CC)CSCc1ccccc1 62a_100000211182_100011215472 [0,2,0,0,0,0|2,0,0]=4 42292 B14R1.546 CCC(CC)CSCc1ccccc1 62a_100011215472_100015291786 [0,2,0,0,0,0|2,0,0]=4 42293 B14R1.546 CCC(CC)NCCc1ccccc1 2230a_100000199018_100000765856 [0,2,0,0,0,0|2,0,0]=4 42294 B14R1.546 CCC(CC)NCCc1ccccc1 270004a_100000106460_100000210860 [0,2,0,0,0,0|2,0,0]=4 42295 B14R1.546 CCC(CC)OCCc1ccccc1 7a_100000210268_100000210505 [0,2,0,0,0,0|2,0,0]=4 42296 B14R1.546 CCC(CC)OCCc1ccccc1 7a_100000688536_100000765856 [0,2,0,0,0,0|2,0,0]=4 42297 B14R1.546 CCC(CC)SCCc1ccccc1 62a_100000210505_100011218657 [0,2,0,0,0,0|2,0,0]=4 42298 B14R1.546 CCC(CC)SCCc1ccccc1 62a_100000765856_100000210505 [0,2,0,0,0,0|2,0,0]=4 42299 B14R1.546 CCC(CNCc1ccccc1)OC 207a_100000731041_100015611070 [0,2,0,0,0,0|2,0,0]=4 42300 B14R1.546 CCC(CNCc1ccccc1)OC 270004a_100000731041_100015611070 [0,2,0,0,0,0|2,0,0]=4 42301 B14R1.546 CCC(COCc1ccccc1)NC 270004a_106832991635_100011595450 [0,2,0,0,0,0|2,0,0]=4 42302 B14R1.546 CCC(COCc1ccccc1)OC 34a_100011934954_100015291786 [0,2,0,0,0,0|2,0,0]=4 42303 B14R1.546 CCC(COCc1ccccc1)OC 7a_100011934954_100000211182 [0,2,0,0,0,0|2,0,0]=4 42304 B14R1.546 CCN(CC)CCCc1ccccc1 2230a_100000724800_100000211621 [0,2,0,0,0,0|2,0,0]=4 42305 B14R1.546 CCN(CC)CCCc1ccccc1 269956a_100000042499_100000211621 [0,2,0,0,0,0|2,0,0]=4 42306 B14R1.546 CCN(CC)CCCc1ccccc1 269982a_100000724800_100000211621 [0,2,0,0,0,0|2,0,0]=4 42307 B14R1.546 CC[C@@H](CO)NCCc1ccccc1 2230a_100000709445_100000765856 [0,2,0,0,0,0|1,0,0]=3 42308 B14R1.546 CC[C@@H](CO)NCCc1ccccn1 2230a_100000709445_100015183660 [0,2,0,0,0,0|2,0,0]=4 42309 B14R1.546 CC[C@@H](CO)NCCc1cccnc1 2230a_100000709445_200011713674 [0,2,0,0,0,0|2,0,0]=4 42310 B14R1.546 CC[C@@H](CO)NCCc1ccncc1 2230a_100000709445_100000723409 [0,2,0,0,0,0|2,0,0]=4 42311 B14R1.546 CC[C@@H](CO)NCSc1ccccc1 2230a_100000709445_100011218342 [0,2,0,0,0,0|2,0,0]=4 42312 B14R1.546 CN[C@H](CO)COCc1ccccc1 2230a_100016995297_200000210301 [0,2,0,0,0,0|1,0,0]=3 42313 B14R1.546 CN[C@H](CO)COCc1ccccc1 34a_100016995297_200000210301 [0,2,0,0,0,0|1,0,0]=3 42314 B14R1.546 ClCC(CCl)OCCc1ccccc1 7a_100000737055_100000765856 [0,2,0,0,0,0|2,0,0]=4 42315 B14R1.546 FCC(CF)OCCc1ccccc1 34a_100000032261_100000765856 [0,2,0,0,0,0|2,0,0]=4 42316 B14R1.546 FCC(CF)OCCc1ccccc1 7a_100000032261_100000765856 [0,2,0,0,0,0|2,0,0]=4 42317 B14R1.546 FC[C@@H](CCl)OCCc1ccccc1 34a_100015614560_100000765856 [0,2,0,0,0,0|2,0,0]=4 42318 B14R1.546 FC[C@@H](CCl)OCCc1ccccc1 7a_100015614560_100000765856 [0,2,0,0,0,0|2,0,0]=4 42319 B14R1.546 NCC(CN)OCCc1ccccc1 34a_100000031598_100000765856 [0,2,0,0,0,0|2,0,0]=4 42320 B14R1.546 OCC(CO)NCCc1ccccc1 2230a_100000759517_100000765856 [0,2,0,0,0,0|1,0,0]=3 42321 B14R1.546 OCC(CO)NCCc1ccccn1 2230a_100000759517_100015183660 [0,2,0,0,0,0|2,0,0]=4 42322 B14R1.546 OCC(CO)NCCc1cccnc1 2230a_100000759517_200011713674 [0,2,0,0,0,0|2,0,0]=4 42323 B14R1.546 OCC(CO)NCCc1ccncc1 2230a_100000759517_100000723409 [0,2,0,0,0,0|2,0,0]=4 42324 B14R1.546 OCC(CO)NCSc1ccccc1 2230a_100000759517_100011218342 [0,2,0,0,0,0|2,0,0]=4 42325 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 2230a_100016995297_200025704644 [0,2,0,0,0,0|1,0,0]=3 42326 B14R1.546 [13CH3]N[C@H](CO)COCc1ccccc1 34a_100016995297_200025704644 [0,2,0,0,0,0|1,0,0]=3 42327 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,0,1,1,0,0|0,0,2]=4 42328 B12R1.463 C=CC=CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100016291481 [0,0,1,1,0,0|2,0,0]=4 42329 B12R1.464 C=CC=CC(=O)CCCC1CO1 1458a_100016291481_100000733510 [0,0,1,1,0,0|1,0,0]=3 42330 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [1,0,0,1,0,0|1,0,0]=3 42331 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [1,0,0,1,0,0|1,0,0]=3 42332 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [1,0,0,1,0,0|2,0,0]=4 42333 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [1,0,0,1,0,0|1,0,0]=3 42334 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [1,0,0,1,0,0|1,0,0]=3 42335 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [1,0,0,1,0,0|1,0,0]=3 42336 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [1,0,0,1,0,0|1,0,0]=3 42337 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [1,0,0,1,0,0|1,0,0]=3 42338 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [1,0,0,1,0,0|2,0,0]=4 42339 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [1,0,0,1,0,0|1,0,0]=3 42340 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [1,0,0,1,0,0|1,0,0]=3 42341 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [1,0,0,1,0,0|1,0,0]=3 42342 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [1,0,0,1,0,0|1,0,0]=3 42343 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [1,0,0,1,0,0|1,0,0]=3 42344 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,1,0,0|0,0,2]=4 42345 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [1,0,0,1,0,0|1,0,0]=3 42346 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [1,0,0,1,0,0|1,0,0]=3 42347 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [1,0,0,1,0,0|1,0,0]=3 42348 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [1,0,0,1,0,0|1,0,0]=3 42349 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [1,0,0,1,0,0|1,0,0]=3 42350 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [1,0,0,1,0,0|1,0,0]=3 42351 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [1,0,0,1,0,0|1,0,0]=3 42352 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [1,0,0,1,0,0|1,0,0]=3 42353 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [1,0,0,1,0,0|1,0,0]=3 42354 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [1,0,0,1,0,0|1,0,0]=3 42355 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 42356 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [1,0,0,1,0,0|1,0,0]=3 42357 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 42358 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [1,0,0,1,0,0|1,0,0]=3 42359 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [1,0,0,1,0,0|1,0,0]=3 42360 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [1,0,0,1,0,0|1,0,0]=3 42361 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,1,0,0|1,0,0]=3 42362 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,1,0,0|1,0,0]=3 42363 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [1,0,0,1,0,0|2,0,0]=4 42364 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [1,0,0,1,0,0|2,0,0]=4 42365 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,1,0,0|1,0,0]=3 42366 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,1,0,0|1,0,0]=3 42367 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [1,0,0,1,0,0|0,0,2]=4 42368 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [1,0,0,1,0,0|0,0,2]=4 42369 B12R2.2057 c1cc(ccn1)CSC2CC2 62a_100015193705_100000211595 [1,0,0,1,0,0|2,0,0]=4 42370 B12R2.2057 c1cc(ccn1)OCC2CC2 34a_100000212176_100000742324 [1,0,0,1,0,0|2,0,0]=4 42371 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [1,0,0,1,0,0|2,0,0]=4 42372 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000728582_100000742324 [1,0,0,1,0,0|2,0,0]=4 42373 B12R2.2057 c1cc(ccn1)SCC2CC2 62a_100000756562_100000728582 [1,0,0,1,0,0|2,0,0]=4 42374 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_100000728582_102125554688 [1,0,0,1,0,0|2,0,0]=4 42375 B12R2.2057 c1cc(ccn1)SCC2CO2 62a_102125554688_100000728582 [1,0,0,1,0,0|2,0,0]=4 42376 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000728582_100000745022 [1,0,0,1,0,0|2,0,0]=4 42377 B12R2.2057 c1cc(ccn1)SC[C@@H]2CO2 62a_100000745022_100000728582 [1,0,0,1,0,0|2,0,0]=4 42378 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [1,0,0,1,0,0|1,0,0]=3 42379 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [1,0,0,1,0,0|1,0,0]=3 42380 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [1,0,0,1,0,0|1,0,0]=3 42381 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [1,0,0,1,0,0|1,0,0]=3 42382 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [1,0,0,1,0,0|1,0,0]=3 42383 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [1,0,0,1,0,0|1,0,0]=3 42384 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [1,0,0,1,0,0|1,0,0]=3 42385 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [1,0,0,1,0,0|1,0,0]=3 42386 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [1,0,0,1,0,0|1,0,0]=3 42387 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [1,0,0,1,0,0|1,0,0]=3 42388 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [1,0,0,1,0,0|1,1,0]=4 42389 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [1,0,0,1,0,0|1,0,0]=3 42390 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [1,0,0,1,0,0|1,0,0]=3 42391 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [1,0,0,1,0,0|1,0,0]=3 42392 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [1,0,0,1,0,0|1,0,0]=3 42393 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [1,0,0,1,0,0|1,0,0]=3 42394 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [1,0,0,1,0,0|1,1,0]=4 42395 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [1,0,0,1,0,0|1,1,0]=4 42396 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [1,0,0,1,0,0|1,0,0]=3 42397 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [1,0,0,1,0,0|1,0,0]=3 42398 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [1,0,0,1,0,0|2,0,0]=4 42399 B12R2.2057 c1ccc(nc1)CSC2CC2 62a_100000721315_100000211595 [1,0,0,1,0,0|2,0,0]=4 42400 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100000756562_100011216584 [1,0,0,1,0,0|2,0,0]=4 42401 B12R2.2057 c1ccc(nc1)SCC2CC2 62a_100011216584_100000742324 [1,0,0,1,0,0|2,0,0]=4 42402 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_100011216584_102125554688 [1,0,0,1,0,0|2,0,0]=4 42403 B12R2.2057 c1ccc(nc1)SCC2CO2 62a_102125554688_100011216584 [1,0,0,1,0,0|2,0,0]=4 42404 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100000745022_100011216584 [1,0,0,1,0,0|2,0,0]=4 42405 B12R2.2057 c1ccc(nc1)SC[C@@H]2CO2 62a_100011216584_100000745022 [1,0,0,1,0,0|2,0,0]=4 42406 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [1,0,0,1,0,0|2,0,0]=4 42407 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [1,0,0,1,0,0|2,0,0]=4 42408 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [1,0,0,1,0,0|2,0,0]=4 42409 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [1,0,0,1,0,0|2,0,0]=4 42410 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [1,0,0,1,0,0|2,0,0]=4 42411 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [1,0,0,1,0,0|2,0,0]=4 42412 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [1,0,0,1,0,0|2,0,0]=4 42413 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [1,0,0,1,0,0|2,0,0]=4 42414 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [1,0,0,1,0,0|2,0,0]=4 42415 B12R2.2057 c1cncc(c1)SCC2CO2 62a_100000210063_102125554688 [1,0,0,1,0,0|2,0,0]=4 42416 B12R2.2057 c1cncc(c1)SCC2CO2 62a_102125554688_100000210063 [1,0,0,1,0,0|2,0,0]=4 42417 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000210063_100000745022 [1,0,0,1,0,0|2,0,0]=4 42418 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000210063 [1,0,0,1,0,0|2,0,0]=4 42419 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [1,0,0,1,0,0|2,0,0]=4 42420 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [1,0,0,1,0,0|2,0,0]=4 42421 B12R2.2058 c1cc(ccn1)SC2CCC2 62a_100000728582_100000749161 [1,0,0,1,0,0|2,0,0]=4 42422 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [1,0,0,1,0,0|1,0,0]=3 42423 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [1,0,0,1,0,0|1,0,0]=3 42424 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [1,0,0,1,0,0|2,0,0]=4 42425 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [1,0,0,1,0,0|1,0,0]=3 42426 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [1,0,0,1,0,0|2,0,0]=4 42427 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [1,0,0,1,0,0|2,0,0]=4 42428 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [1,0,0,1,0,0|1,0,0]=3 42429 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [1,0,0,1,0,0|2,0,0]=4 42430 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [1,0,0,1,0,0|2,0,0]=4 42431 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [1,0,0,1,0,0|2,0,0]=4 42432 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [1,0,0,1,0,0|2,0,0]=4 42433 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [1,0,0,1,0,0|2,0,0]=4 42434 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [1,0,0,1,0,0|2,0,0]=4 42435 B12R2.2056 c1cc(co1)SCC2CCO2 62a_100000103362_100011215275 [0,0,0,1,1,0|2,0,0]=4 42436 B12R2.2056 c1cc(co1)SCC2CCO2 62a_100011215275_100000103362 [0,0,0,1,1,0|2,0,0]=4 42437 B12R2.2056 c1cc(cs1)OCC2CCO2 34a_100000106738_100000103362 [0,0,0,1,1,0|2,0,0]=4 42438 B12R2.2056 c1cc(cs1)OCC2CCO2 7a_100000106738_100000103362 [0,0,0,1,1,0|2,0,0]=4 42439 B12R2.2056 c1cc(cs1)SCC2CCO2 62a_100000103362_100000738268 [0,0,0,1,1,0|2,0,0]=4 42440 B12R2.2056 c1cc(cs1)SCC2CCO2 62a_100000738268_100000103362 [0,0,0,1,1,0|2,0,0]=4 42441 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100000103362_100009814098 [0,0,0,1,1,0|2,0,0]=4 42442 B12R2.2056 c1coc(c1)SCC2CCO2 62a_100009814098_100000103362 [0,0,0,1,1,0|2,0,0]=4 42443 B12R2.2056 c1csc(c1)SCC2CCO2 62a_100000103362_100011215356 [0,0,0,1,1,0|2,0,0]=4 42444 B12R2.2056 c1csc(c1)SCC2CCO2 62a_100011215356_100000103362 [0,0,0,1,1,0|2,0,0]=4 42445 B12R2.2383 c1cc(co1)CNCC2CO2 2230a_100015206860_100011216344 [0,0,0,1,1,0|2,0,0]=4 42446 B12R2.2383 c1cc(co1)CNCC2CO2 34a_100015206860_102125554688 [0,0,0,1,1,0|2,0,0]=4 42447 B12R2.2383 c1cc(co1)COCC2CO2 34a_100011215357_102125554688 [0,0,0,1,1,0|2,0,0]=4 42448 B12R2.2383 c1cc(co1)SCCC2CO2 62a_100000732470_100011215275 [0,0,0,1,1,0|2,0,0]=4 42449 B12R2.2383 c1cc(co1)SCCC2CO2 62a_100011215275_100000732470 [0,0,0,1,1,0|2,0,0]=4 42450 B12R2.2383 c1cc(cs1)CNCC2CO2 2230a_100000186416_100011216344 [0,0,0,1,1,0|2,0,0]=4 42451 B12R2.2383 c1cc(cs1)CNCC2CO2 34a_100000186416_102125554688 [0,0,0,1,1,0|2,0,0]=4 42452 B12R2.2383 c1cc(cs1)COCC2CO2 34a_100011215551_102125554688 [0,0,0,1,1,0|2,0,0]=4 42453 B12R2.2383 c1cc(cs1)COC[C@@H]2CO2 34a_100000757423_100011261437 [0,0,0,1,1,0|2,0,0]=4 42454 B12R2.2383 c1cc(cs1)CSCC2CO2 62a_100011261437_102125554688 [0,0,0,1,1,0|2,0,0]=4 42455 B12R2.2383 c1cc(cs1)CSCC2CO2 62a_102125554688_100011233845 [0,0,0,1,1,0|2,0,0]=4 42456 B12R2.2383 c1cc(cs1)CSC[C@@H]2CO2 62a_100000745022_100011233845 [0,0,0,1,1,0|2,0,0]=4 42457 B12R2.2383 c1cc(cs1)CSC[C@@H]2CO2 62a_100011261437_100000745022 [0,0,0,1,1,0|2,0,0]=4 42458 B12R2.2383 c1cc(cs1)OCCC2CO2 34a_100000106738_100000732470 [0,0,0,1,1,0|2,0,0]=4 42459 B12R2.2383 c1cc(cs1)OCCC2CO2 7a_100000106738_100000732470 [0,0,0,1,1,0|2,0,0]=4 42460 B12R2.2383 c1cc(cs1)SCCC2CO2 62a_100000732470_100000738268 [0,0,0,1,1,0|2,0,0]=4 42461 B12R2.2383 c1cc(cs1)SCCC2CO2 62a_100000738268_100000732470 [0,0,0,1,1,0|2,0,0]=4 42462 B12R2.2383 c1coc(c1)CNCC2CO2 2230a_100000185738_100011216344 [0,0,0,1,1,0|2,0,0]=4 42463 B12R2.2383 c1coc(c1)CNCC2CO2 34a_100000185738_102125554688 [0,0,0,1,1,0|2,0,0]=4 42464 B12R2.2383 c1coc(c1)COCC2CO2 34a_100000210059_102125554688 [0,0,0,1,1,0|2,0,0]=4 42465 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100000732470_100009814098 [0,0,0,1,1,0|2,0,0]=4 42466 B12R2.2383 c1coc(c1)SCCC2CO2 62a_100009814098_100000732470 [0,0,0,1,1,0|2,0,0]=4 42467 B12R2.2383 c1csc(c1)CNCC2CO2 2230a_100000211653_100011216344 [0,0,0,1,1,0|2,0,0]=4 42468 B12R2.2383 c1csc(c1)COCC2CO2 34a_100000211240_102125554688 [0,0,0,1,1,0|2,0,0]=4 42469 B12R2.2383 c1csc(c1)SCCC2CO2 62a_100000732470_100011215356 [0,0,0,1,1,0|2,0,0]=4 42470 B12R2.2383 c1csc(c1)SCCC2CO2 62a_100011215356_100000732470 [0,0,0,1,1,0|2,0,0]=4 42471 B14R2.21 Brc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000691529 [0,1,0,1,0,0|1,0,1]=4 42472 B14R2.21 Brc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000691529 [0,1,0,1,0,0|0,0,2]=4 42473 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [0,1,0,1,0,0|2,0,0]=4 42474 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [0,1,0,1,0,0|2,0,0]=4 42475 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [0,1,0,1,0,0|2,0,0]=4 42476 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,1,0,1,0,0|1,0,0]=3 42477 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,1,0,1,0,0|1,0,0]=3 42478 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,1,0,1,0,0|1,0,0]=3 42479 B14R2.21 Cc1cccc(c1)C2=CCCCC2 271570a_100000062251_100011215228 [0,1,0,1,0,0|1,0,1]=4 42480 B14R2.21 Cc1cccc(c1)C2=CCCCO2 271570a_100010177797_100011215228 [0,1,0,1,0,0|0,0,2]=4 42481 B14R2.21 Clc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000699651 [0,1,0,1,0,0|1,0,1]=4 42482 B14R2.21 Clc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000699651 [0,1,0,1,0,0|0,0,2]=4 42483 B14R2.21 Fc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000685547 [0,1,0,1,0,0|1,0,1]=4 42484 B14R2.21 Fc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000685547 [0,1,0,1,0,0|0,0,2]=4 42485 B14R2.21 Nc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000210019 [0,1,0,1,0,0|1,0,1]=4 42486 B14R2.21 Nc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000210019 [0,1,0,1,0,0|0,0,2]=4 42487 B14R2.21 Oc1cccc(c1)C2=CCCCC2 271570a_100000062251_100000211634 [0,1,0,1,0,0|1,0,1]=4 42488 B14R2.21 Oc1cccc(c1)C2=CCCCO2 271570a_100010177797_100000211634 [0,1,0,1,0,0|0,0,2]=4 42489 B14R2.21 Oc1cccc(c1)C2CCNCC2 271570a_203496583355_100000726733 [0,1,0,1,0,0|2,0,0]=4 42490 B14R2.21 Oc1cccc(c1)C2OCCCO2 271570a_203496583355_100000752065 [0,1,0,1,0,0|1,0,0]=3 42491 B14R2.21 Oc1cccc(c1)N2CCCCC2 271570a_203496583355_100159271270 [0,1,0,1,0,0|2,0,0]=4 42492 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [0,1,0,1,0,0|2,0,0]=4 42493 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [0,1,0,1,0,0|2,0,0]=4 42494 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [0,1,0,1,0,0|2,0,0]=4 42495 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,1,0,1,0,0|1,0,0]=3 42496 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,1,0,1,0,0|1,0,0]=3 42497 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,1,0,1,0,0|1,0,0]=3 42498 B14R2.21 [S]c1cccc(c1)C2=CCCCC2 271570a_100000062251_114929384022 [0,1,0,1,0,0|1,0,1]=4 42499 B14R2.21 [S]c1cccc(c1)C2=CCCCO2 271570a_100010177797_114929384022 [0,1,0,1,0,0|0,0,2]=4 42500 B14R2.268 Cc1cccc(c1)CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000211840 [0,1,0,1,0,0|2,0,0]=4 42501 B14R2.268 Cc1cccc(c1)CN[C@@H]2C[C@H]2F 2230a_100025746932_100000211840 [0,1,0,1,0,0|2,0,0]=4 42502 B14R2.268 Cc1cccc(c1)CN[C@@H]2C[C@H]2F 34a_100025746932_100000211840 [0,1,0,1,0,0|2,0,0]=4 42503 B14R2.268 F[C@@H]1C[C@H]1NCc2cccc(c2)Br 2230a_100025746932_100000698116 [0,1,0,1,0,0|2,0,0]=4 42504 B14R2.268 F[C@@H]1C[C@H]1NCc2cccc(c2)Br 34a_100025746932_100000698116 [0,1,0,1,0,0|2,0,0]=4 42505 B14R2.268 F[C@@H]1C[C@H]1NCc2cccc(c2)Cl 2230a_100025746932_100000181238 [0,1,0,1,0,0|2,0,0]=4 42506 B14R2.268 F[C@@H]1C[C@H]1NCc2cccc(c2)Cl 34a_100025746932_100000187163 [0,1,0,1,0,0|2,0,0]=4 42507 B14R2.268 F[C@@H]1C[C@H]1NCc2cccc(c2)I 2230a_100025746932_100011218688 [0,1,0,1,0,0|2,0,0]=4 42508 B14R2.268 F[C@@H]1C[C@H]1NCc2cccc(c2)I 34a_100025746932_100011218688 [0,1,0,1,0,0|2,0,0]=4 42509 B14R2.268 F[C@H]1C[C@H]1NCc2cccc(c2)Br 2230a_100015190264_100000698116 [0,1,0,1,0,0|2,0,0]=4 42510 B14R2.268 F[C@H]1C[C@H]1NCc2cccc(c2)Cl 2230a_100015190264_100000181238 [0,1,0,1,0,0|2,0,0]=4 42511 B14R2.268 F[C@H]1C[C@H]1NCc2cccc(c2)I 2230a_100015190264_100011218688 [0,1,0,1,0,0|2,0,0]=4 42512 B14R2.268 Fc1cccc(c1)CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000230114 [0,1,0,1,0,0|2,0,0]=4 42513 B14R2.268 Fc1cccc(c1)CN[C@@H]2C[C@H]2F 2230a_100025746932_100000230114 [0,1,0,1,0,0|2,0,0]=4 42514 B14R2.268 Fc1cccc(c1)CN[C@@H]2C[C@H]2F 34a_100025746932_100000187166 [0,1,0,1,0,0|2,0,0]=4 42515 B14R2.268 Oc1cccc(c1)CN[C@@H]2C[C@@H]2F 2230a_100015190264_100011660834 [0,1,0,1,0,0|2,0,0]=4 42516 B14R2.268 Oc1cccc(c1)CN[C@@H]2C[C@H]2F 2230a_100025746932_100011660834 [0,1,0,1,0,0|2,0,0]=4 42517 B14R2.268 Oc1cccc(c1)CN[C@@H]2C[C@H]2F 34a_100025746932_100011660834 [0,1,0,1,0,0|2,0,0]=4 42518 B14R2.269 CN1CCCC1c2cccc(c2)Br 2230a_100015187783_200000210301 [0,1,0,1,0,0|2,0,0]=4 42519 B14R2.269 CN1CCCC1c2cccc(c2)Br 269982a_100015187783_200000210301 [0,1,0,1,0,0|2,0,0]=4 42520 B14R2.269 CN1CCCC1c2cccc(c2)Br 34a_100015187783_200000210301 [0,1,0,1,0,0|2,0,0]=4 42521 B14R2.269 CN1CCCC1c2cccc(c2)Cl 2230a_100000741648_200000210301 [0,1,0,1,0,0|2,0,0]=4 42522 B14R2.269 CN1CCCC1c2cccc(c2)Cl 269982a_100000741648_200000210301 [0,1,0,1,0,0|2,0,0]=4 42523 B14R2.269 CN1CCCC1c2cccc(c2)Cl 34a_100000741648_200000210301 [0,1,0,1,0,0|2,0,0]=4 42524 B14R2.269 CN1CCCC1c2cccc(c2)F 2230a_100000742875_200000210301 [0,1,0,1,0,0|2,0,0]=4 42525 B14R2.269 CN1CCCC1c2cccc(c2)F 269982a_100000742875_200000210301 [0,1,0,1,0,0|2,0,0]=4 42526 B14R2.269 CN1CCCC1c2cccc(c2)F 34a_100000742875_200000210301 [0,1,0,1,0,0|2,0,0]=4 42527 B14R2.269 Cc1cccc(c1)C2CCCN2C 2230a_100000741861_200000210301 [0,1,0,1,0,0|2,0,0]=4 42528 B14R2.269 Cc1cccc(c1)C2CCCN2C 269982a_100000741861_200000210301 [0,1,0,1,0,0|2,0,0]=4 42529 B14R2.269 Cc1cccc(c1)C2CCCN2C 34a_100000741861_200000210301 [0,1,0,1,0,0|2,0,0]=4 42530 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 2230a_100000741861_200025704644 [0,1,0,1,0,0|2,0,0]=4 42531 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 269982a_100000741861_200025704644 [0,1,0,1,0,0|2,0,0]=4 42532 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 34a_100000741861_200025704644 [0,1,0,1,0,0|2,0,0]=4 42533 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 2230a_100015187783_200025704644 [0,1,0,1,0,0|2,0,0]=4 42534 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 269982a_100015187783_200025704644 [0,1,0,1,0,0|2,0,0]=4 42535 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 34a_100015187783_200025704644 [0,1,0,1,0,0|2,0,0]=4 42536 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 2230a_100000741648_200025704644 [0,1,0,1,0,0|2,0,0]=4 42537 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 269982a_100000741648_200025704644 [0,1,0,1,0,0|2,0,0]=4 42538 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 34a_100000741648_200025704644 [0,1,0,1,0,0|2,0,0]=4 42539 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 2230a_100000742875_200025704644 [0,1,0,1,0,0|2,0,0]=4 42540 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 269982a_100000742875_200025704644 [0,1,0,1,0,0|2,0,0]=4 42541 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 34a_100000742875_200025704644 [0,1,0,1,0,0|2,0,0]=4 42542 B14R2.270 CC1CCN1Cc2cccc(c2)Br 269982a_100000755817_100000211773 [0,1,0,1,0,0|2,0,0]=4 42543 B14R2.270 CC1CCN1Cc2cccc(c2)Br 26a_100000755817_100000210342 [0,1,0,1,0,0|2,0,0]=4 42544 B14R2.270 CC1CCN1Cc2cccc(c2)Br 34a_100000755817_100000698116 [0,1,0,1,0,0|2,0,0]=4 42545 B14R2.270 CC1CCN1Cc2cccc(c2)Cl 269982a_100000755817_100000181238 [0,1,0,1,0,0|2,0,0]=4 42546 B14R2.270 CC1CCN1Cc2cccc(c2)Cl 34a_100000755817_100000187163 [0,1,0,1,0,0|2,0,0]=4 42547 B14R2.270 CC1CCN1Cc2cccc(c2)F 269982a_100000755817_100000230114 [0,1,0,1,0,0|2,0,0]=4 42548 B14R2.270 CC1CCN1Cc2cccc(c2)F 34a_100000755817_100000187166 [0,1,0,1,0,0|2,0,0]=4 42549 B14R2.270 CC1CCN1Cc2cccc(c2)I 269982a_100000755817_100011218688 [0,1,0,1,0,0|2,0,0]=4 42550 B14R2.270 CC1CCN1Cc2cccc(c2)I 34a_100000755817_100011218688 [0,1,0,1,0,0|2,0,0]=4 42551 B14R2.270 CC1CCN1Cc2cccc(c2)O 269982a_100000755817_100000084143 [0,1,0,1,0,0|2,0,0]=4 42552 B14R2.270 CC1CCN1Cc2cccc(c2)O 34a_100000755817_100011660834 [0,1,0,1,0,0|2,0,0]=4 42553 B14R2.270 Cc1cccc(c1)CN2CCC2C 269982a_100000755817_100000211840 [0,1,0,1,0,0|2,0,0]=4 42554 B14R2.270 Cc1cccc(c1)CN2CCC2C 34a_100000755817_100000211840 [0,1,0,1,0,0|2,0,0]=4 42555 B14R2.467 CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210202 [0,1,0,1,0,0|2,0,0]=4 42556 B14R2.467 CCNC1CCc2c1ccc(c2)Br 269862a_100015525214_100000737041 [0,1,0,1,0,0|2,0,0]=4 42557 B14R2.467 CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000210202 [0,1,0,1,0,0|2,0,0]=4 42558 B14R2.467 CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210202 [0,1,0,1,0,0|2,0,0]=4 42559 B14R2.467 CCNC1CCc2c1ccc(c2)C 269862a_100015525214_100000743249 [0,1,0,1,0,0|2,0,0]=4 42560 B14R2.467 CCNC1CCc2c1ccc(c2)C 34a_200000746848_100000210202 [0,1,0,1,0,0|2,0,0]=4 42561 B14R2.467 CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210202 [0,1,0,1,0,0|2,0,0]=4 42562 B14R2.467 CCNC1CCc2c1ccc(c2)Cl 269862a_100015525214_100000751102 [0,1,0,1,0,0|2,0,0]=4 42563 B14R2.467 CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000210202 [0,1,0,1,0,0|2,0,0]=4 42564 B14R2.467 CCNC1CCc2c1ccc(c2)F 269862a_100015525214_100000035798 [0,1,0,1,0,0|2,0,0]=4 42565 B14R2.467 CCNC1CCc2c1ccc(c2)I 269862a_100015525214_100000049573 [0,1,0,1,0,0|2,0,0]=4 42566 B14R2.467 CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210202 [0,1,0,1,0,0|2,0,0]=4 42567 B14R2.467 CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000210202 [0,1,0,1,0,0|2,0,0]=4 42568 B14R2.467 CCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000210202 [0,1,0,1,0,0|2,0,0]=4 42569 B14R2.467 CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000210202 [0,1,0,1,0,0|2,0,0]=4 42570 B14R2.467 CCOC1CCc2c1ccc(c2)C 34a_100000103036_100000210202 [0,1,0,1,0,0|2,0,0]=4 42571 B14R2.467 CCOC1CCc2c1ccc(c2)C 7a_100000103036_100000210202 [0,1,0,1,0,0|2,0,0]=4 42572 B14R2.467 CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000210202 [0,1,0,1,0,0|2,0,0]=4 42573 B14R2.467 CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000210202 [0,1,0,1,0,0|2,0,0]=4 42574 B14R2.467 CCOC1CCc2c1ccc(c2)F 34a_100012002498_100000210202 [0,1,0,1,0,0|2,0,0]=4 42575 B14R2.467 CCOC1CCc2c1ccc(c2)F 7a_100012002498_100000210202 [0,1,0,1,0,0|2,0,0]=4 42576 B14R2.467 Cc1ccc2c(c1)CCC2NCF 34a_200000746848_100015361967 [0,1,0,1,0,0|2,0,0]=4 42577 B14R2.467 Cc1ccc2c(c1)CCC2OCF 34a_100000103036_100015361967 [0,1,0,1,0,0|2,0,0]=4 42578 B14R2.467 Cc1ccc2c(c1)CCC2OCF 7a_100000103036_100015361967 [0,1,0,1,0,0|2,0,0]=4 42579 B14R2.467 FCNC1CCc2c1ccc(c2)Br 34a_100000744021_100015361967 [0,1,0,1,0,0|2,0,0]=4 42580 B14R2.467 FCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100015361967 [0,1,0,1,0,0|2,0,0]=4 42581 B14R2.467 FCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100015361967 [0,1,0,1,0,0|2,0,0]=4 42582 B14R2.467 FCOC1CCc2c1ccc(c2)Br 34a_100000747877_100015361967 [0,1,0,1,0,0|2,0,0]=4 42583 B14R2.467 FCOC1CCc2c1ccc(c2)Br 7a_100000747877_100015361967 [0,1,0,1,0,0|2,0,0]=4 42584 B14R2.467 FCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100015361967 [0,1,0,1,0,0|2,0,0]=4 42585 B14R2.467 FCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100015361967 [0,1,0,1,0,0|2,0,0]=4 42586 B14R2.467 FCOC1CCc2c1ccc(c2)F 34a_100012002498_100015361967 [0,1,0,1,0,0|2,0,0]=4 42587 B14R2.467 FCOC1CCc2c1ccc(c2)F 7a_100012002498_100015361967 [0,1,0,1,0,0|2,0,0]=4 42588 B14R2.716 Brc1cccc(c1)CN2CCCC2 2230a_100000188435_100000698116 [0,1,0,1,0,0|2,0,0]=4 42589 B14R2.716 Brc1cccc(c1)CN2CCCC2 269982a_100000188435_100000211773 [0,1,0,1,0,0|2,0,0]=4 42590 B14R2.716 Brc1cccc(c1)CN2CCCC2 26a_100000188435_100000210342 [0,1,0,1,0,0|2,0,0]=4 42591 B14R2.716 Brc1cccc(c1)CN2CCCC2 270004a_100000188435_100000210085 [0,1,0,1,0,0|2,0,0]=4 42592 B14R2.716 Brc1cccc(c1)NC2CCCC2 34a_100000210019_100000179811 [0,1,0,1,0,0|2,0,0]=4 42593 B14R2.716 Brc1cccc(c1)OC2CCCC2 34a_100000210342_100000179811 [0,1,0,1,0,0|2,0,0]=4 42594 B14R2.716 Brc1cccc(c1)OC2CCCC2 7a_100000210342_100000179811 [0,1,0,1,0,0|2,0,0]=4 42595 B14R2.716 Brc1cccc(c1)SC2CCCC2 62a_100000691529_100000179811 [0,1,0,1,0,0|2,0,0]=4 42596 B14R2.716 Brc1cccc(c1)SC2CCCC2 62a_100011217020_100000691529 [0,1,0,1,0,0|2,0,0]=4 42597 B14R2.716 Cc1cccc(c1)CN2CCCC2 2230a_100000188435_100000211840 [0,1,0,1,0,0|2,0,0]=4 42598 B14R2.716 Cc1cccc(c1)CN2CCCC2 269982a_100000188435_100000211840 [0,1,0,1,0,0|2,0,0]=4 42599 B14R2.716 Cc1cccc(c1)CN2CCCC2 270004a_100000188435_100000211157 [0,1,0,1,0,0|2,0,0]=4 42600 B14R2.716 Cc1cccc(c1)NC2CCCC2 2230a_100000188690_100000179811 [0,1,0,1,0,0|2,0,0]=4 42601 B14R2.716 Cc1cccc(c1)NC2CCCC2 34a_100000188690_100000179811 [0,1,0,1,0,0|2,0,0]=4 42602 B14R2.716 Cc1cccc(c1)OC2CCCC2 34a_100000210337_100000179811 [0,1,0,1,0,0|2,0,0]=4 42603 B14R2.716 Cc1cccc(c1)OC2CCCC2 7a_100000210337_100000179811 [0,1,0,1,0,0|2,0,0]=4 42604 B14R2.716 Cc1cccc(c1)SC2CCCC2 62a_100011215228_100000179811 [0,1,0,1,0,0|2,0,0]=4 42605 B14R2.716 Cc1cccc(c1)SC2CCCC2 62a_100011217020_100011215228 [0,1,0,1,0,0|2,0,0]=4 42606 B14R2.716 Clc1cccc(c1)CN2CCCC2 2230a_100000188435_100000181238 [0,1,0,1,0,0|2,0,0]=4 42607 B14R2.716 Clc1cccc(c1)CN2CCCC2 269982a_100000188435_100000181238 [0,1,0,1,0,0|2,0,0]=4 42608 B14R2.716 Clc1cccc(c1)CN2CCCC2 270004a_100000188435_100000210801 [0,1,0,1,0,0|2,0,0]=4 42609 B14R2.716 Clc1cccc(c1)NC2CCCC2 34a_100000185859_100000179811 [0,1,0,1,0,0|2,0,0]=4 42610 B14R2.716 Clc1cccc(c1)OC2CCCC2 34a_100000210295_100000179811 [0,1,0,1,0,0|2,0,0]=4 42611 B14R2.716 Clc1cccc(c1)OC2CCCC2 7a_100000210295_100000179811 [0,1,0,1,0,0|2,0,0]=4 42612 B14R2.716 Clc1cccc(c1)SC2CCCC2 62a_100000699651_100000179811 [0,1,0,1,0,0|2,0,0]=4 42613 B14R2.716 Clc1cccc(c1)SC2CCCC2 62a_100011217020_100000699651 [0,1,0,1,0,0|2,0,0]=4 42614 B14R2.716 Fc1cccc(c1)CN2CCCC2 2230a_100000188435_100000230114 [0,1,0,1,0,0|2,0,0]=4 42615 B14R2.716 Fc1cccc(c1)CN2CCCC2 269982a_100000188435_100000230114 [0,1,0,1,0,0|2,0,0]=4 42616 B14R2.716 Fc1cccc(c1)CN2CCCC2 270004a_100000188435_100000210812 [0,1,0,1,0,0|2,0,0]=4 42617 B14R2.716 Fc1cccc(c1)NC2CCCC2 34a_100000210047_100000179811 [0,1,0,1,0,0|2,0,0]=4 42618 B14R2.716 Fc1cccc(c1)OC2CCCC2 34a_100000210426_100000179811 [0,1,0,1,0,0|2,0,0]=4 42619 B14R2.716 Fc1cccc(c1)OC2CCCC2 7a_100000210426_100000179811 [0,1,0,1,0,0|2,0,0]=4 42620 B14R2.716 Fc1cccc(c1)SC2CCCC2 62a_100000685547_100000179811 [0,1,0,1,0,0|2,0,0]=4 42621 B14R2.716 Fc1cccc(c1)SC2CCCC2 62a_100011217020_100000685547 [0,1,0,1,0,0|2,0,0]=4 42622 B14R2.716 Ic1cccc(c1)CN2CCCC2 2230a_100000188435_100011218688 [0,1,0,1,0,0|2,0,0]=4 42623 B14R2.716 Ic1cccc(c1)CN2CCCC2 269982a_100000188435_100011218688 [0,1,0,1,0,0|2,0,0]=4 42624 B14R2.716 Ic1cccc(c1)CN2CCCC2 270004a_100000188435_100000014684 [0,1,0,1,0,0|2,0,0]=4 42625 B14R2.716 Ic1cccc(c1)NC2CCCC2 34a_100000211102_100000179811 [0,1,0,1,0,0|2,0,0]=4 42626 B14R2.716 Ic1cccc(c1)OC2CCCC2 34a_100000211634_100000179811 [0,1,0,1,0,0|2,0,0]=4 42627 B14R2.716 Ic1cccc(c1)OC2CCCC2 7a_100000211634_100000179811 [0,1,0,1,0,0|2,0,0]=4 42628 B14R2.716 Nc1cccc(c1)OC2CCCC2 34a_100000210217_100000179811 [0,1,0,1,0,0|2,0,0]=4 42629 B14R2.716 Nc1cccc(c1)SC2CCCC2 62a_100000210019_100000179811 [0,1,0,1,0,0|2,0,0]=4 42630 B14R2.716 Nc1cccc(c1)SC2CCCC2 62a_100011217020_100000210019 [0,1,0,1,0,0|2,0,0]=4 42631 B14R2.716 Oc1cccc(c1)CN2CCCC2 2230a_100000188435_100011660834 [0,1,0,1,0,0|2,0,0]=4 42632 B14R2.716 Oc1cccc(c1)CN2CCCC2 269982a_100000188435_100000084143 [0,1,0,1,0,0|2,0,0]=4 42633 B14R2.716 Oc1cccc(c1)CN2CCCC2 270004a_100000188435_100000188321 [0,1,0,1,0,0|2,0,0]=4 42634 B14R2.716 Oc1cccc(c1)CN2CCCC2 271570a_203496583355_100015185575 [0,1,0,1,0,0|2,0,0]=4 42635 B14R2.716 Oc1cccc(c1)NC2CCCC2 34a_100000210217_100000179811 [0,1,0,1,0,0|2,0,0]=4 42636 B14R2.716 Oc1cccc(c1)SC2CCCC2 62a_100011217020_100000211634 [0,1,0,1,0,0|2,0,0]=4 42637 B14R2.716 [S]c1cccc(c1)SC2CCCC2 62a_100011217020_114929384022 [0,1,0,1,0,0|2,0,0]=4 42638 B14R2.716 [S]c1cccc(c1)SC2CCCC2 62a_114929384022_100000179811 [0,1,0,1,0,0|2,0,0]=4 42639 B14R2.1073 CNC1CCCc2c1ccc(c2)Br 269862a_106832991636_100000688402 [0,1,0,1,0,0|2,0,0]=4 42640 B14R2.1073 CNC1CCCc2c1ccc(c2)C 269862a_106832991636_100000074264 [0,1,0,1,0,0|2,0,0]=4 42641 B14R2.1073 CNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_200000210301 [0,1,0,1,0,0|2,0,0]=4 42642 B14R2.1073 CNC1CCCc2c1ccc(c2)Cl 269862a_106832991636_100000081257 [0,1,0,1,0,0|2,0,0]=4 42643 B14R2.1073 CNC1CCCc2c1ccc(c2)Cl 34a_100025717365_200000210301 [0,1,0,1,0,0|2,0,0]=4 42644 B14R2.1073 CNC1CCCc2c1ccc(c2)F 2230a_100000695172_200000210301 [0,1,0,1,0,0|2,0,0]=4 42645 B14R2.1073 CNC1CCCc2c1ccc(c2)F 269862a_106832991636_100000090879 [0,1,0,1,0,0|2,0,0]=4 42646 B14R2.1073 CNC1CCCc2c1ccc(c2)F 34a_100000695172_200000210301 [0,1,0,1,0,0|2,0,0]=4 42647 B14R2.1073 CNC1CCCc2c1ccc(c2)I 269862a_106832991636_100000050035 [0,1,0,1,0,0|2,0,0]=4 42648 B14R2.1073 CN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_200000210301 [0,1,0,1,0,0|2,0,0]=4 42649 B14R2.1073 CN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_200000210301 [0,1,0,1,0,0|2,0,0]=4 42650 B14R2.1073 [13CH3]NC1CCCc2c1ccc(c2)Cl 2230a_100025717365_200025704644 [0,1,0,1,0,0|2,0,0]=4 42651 B14R2.1073 [13CH3]NC1CCCc2c1ccc(c2)Cl 34a_100025717365_200025704644 [0,1,0,1,0,0|2,0,0]=4 42652 B14R2.1073 [13CH3]NC1CCCc2c1ccc(c2)F 2230a_100000695172_200025704644 [0,1,0,1,0,0|2,0,0]=4 42653 B14R2.1073 [13CH3]NC1CCCc2c1ccc(c2)F 34a_100000695172_200025704644 [0,1,0,1,0,0|2,0,0]=4 42654 B14R2.1073 [13CH3]N[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_200025704644 [0,1,0,1,0,0|2,0,0]=4 42655 B14R2.1073 [13CH3]N[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_200025704644 [0,1,0,1,0,0|2,0,0]=4 42656 B14R2.4475 Brc1cc(ccn1)SCC2CCO2 62a_100000103362_100009814637 [0,1,0,1,0,0|2,0,0]=4 42657 B14R2.4475 Brc1cc(ccn1)SCC2CCO2 62a_100009814637_100000103362 [0,1,0,1,0,0|2,0,0]=4 42658 B14R2.4475 Brc1cccc(c1)CCN2CCC2 269982a_100000754969_100011740638 [0,1,0,1,0,0|2,0,0]=4 42659 B14R2.4475 Brc1cccc(c1)CNC2CCC2 2230a_100000749019_100000698116 [0,1,0,1,0,0|2,0,0]=4 42660 B14R2.4475 Brc1cccc(c1)CNC2CCC2 270004a_100000174977_100000241760 [0,1,0,1,0,0|2,0,0]=4 42661 B14R2.4475 Brc1cccc(c1)CNC2CCC2 34a_100000174977_100000749161 [0,1,0,1,0,0|2,0,0]=4 42662 B14R2.4475 Brc1cccc(c1)CNC2CCC2 34a_100000749019_100000698116 [0,1,0,1,0,0|2,0,0]=4 42663 B14R2.4475 Brc1cccc(c1)COC2CCC2 34a_100000687537_100000749161 [0,1,0,1,0,0|2,0,0]=4 42664 B14R2.4475 Brc1cccc(c1)COC2CCC2 34a_100000748187_100000698116 [0,1,0,1,0,0|2,0,0]=4 42665 B14R2.4475 Brc1cccc(c1)CSC2CCC2 62a_100000211773_100000749161 [0,1,0,1,0,0|2,0,0]=4 42666 B14R2.4475 Brc1cccc(c1)NCC2CCC2 34a_100000210019_100000763275 [0,1,0,1,0,0|2,0,0]=4 42667 B14R2.4475 Brc1cccc(c1)NCC2CCO2 34a_100000210019_100000103362 [0,1,0,1,0,0|1,0,0]=3 42668 B14R2.4475 Brc1cccc(c1)OCC2CCC2 34a_100000210342_100000763275 [0,1,0,1,0,0|2,0,0]=4 42669 B14R2.4475 Brc1cccc(c1)OCC2CCC2 7a_100000210342_100000763275 [0,1,0,1,0,0|2,0,0]=4 42670 B14R2.4475 Brc1cccc(c1)OCC2CCO2 34a_100000210342_100000103362 [0,1,0,1,0,0|1,0,0]=3 42671 B14R2.4475 Brc1cccc(c1)OCC2CCO2 7a_100000210342_100000103362 [0,1,0,1,0,0|1,0,0]=3 42672 B14R2.4475 Brc1cccc(c1)SCC2CCC2 62a_100000691529_100000763275 [0,1,0,1,0,0|2,0,0]=4 42673 B14R2.4475 Brc1cccc(c1)SCC2CCC2 62a_100000763275_100000691529 [0,1,0,1,0,0|2,0,0]=4 42674 B14R2.4475 Brc1cccc(c1)SCC2CCO2 62a_100000103362_100000691529 [0,1,0,1,0,0|1,0,0]=3 42675 B14R2.4475 Brc1cccc(c1)SCC2CCO2 62a_100000691529_100000103362 [0,1,0,1,0,0|1,0,0]=3 42676 B14R2.4475 Brc1cccc(n1)SCC2CCO2 62a_100000103362_100000684672 [0,1,0,1,0,0|2,0,0]=4 42677 B14R2.4475 Brc1cccc(n1)SCC2CCO2 62a_100000684672_100000103362 [0,1,0,1,0,0|2,0,0]=4 42678 B14R2.4475 Brc1cncc(c1)OCC2CCO2 34a_100000754920_100000103362 [0,1,0,1,0,0|2,0,0]=4 42679 B14R2.4475 Brc1cncc(c1)OCC2CCO2 7a_100000754920_100000103362 [0,1,0,1,0,0|2,0,0]=4 42680 B14R2.4475 Brc1cncc(c1)SCC2CCO2 62a_100000103362_100000728054 [0,1,0,1,0,0|2,0,0]=4 42681 B14R2.4475 Brc1cncc(c1)SCC2CCO2 62a_100000728054_100000103362 [0,1,0,1,0,0|2,0,0]=4 42682 B14R2.4475 C[n+]1cccc(c1)SCC2CCO2 62a_100000103362_100009996589 [0,1,0,1,0,0|2,0,0]=4 42683 B14R2.4475 C[n+]1cccc(c1)SCC2CCO2 62a_100009996589_100000103362 [0,1,0,1,0,0|2,0,0]=4 42684 B14R2.4475 Cc1cc(ccn1)NC[C@@H]2CCO2 27a_100020831831_100000758586 [0,1,0,1,0,0|2,0,0]=4 42685 B14R2.4475 Cc1cc(ccn1)OCC2CCO2 34a_100000688365_100000103362 [0,1,0,1,0,0|2,0,0]=4 42686 B14R2.4475 Cc1cc(ccn1)SCC2CCO2 62a_100000103362_100000758586 [0,1,0,1,0,0|2,0,0]=4 42687 B14R2.4475 Cc1cc(ccn1)SCC2CCO2 62a_100000758586_100000103362 [0,1,0,1,0,0|2,0,0]=4 42688 B14R2.4475 Cc1cccc(c1)CCN2CCC2 269982a_100000754969_100011713685 [0,1,0,1,0,0|2,0,0]=4 42689 B14R2.4475 Cc1cccc(c1)CNC2CCC2 2230a_100000749019_100000211840 [0,1,0,1,0,0|2,0,0]=4 42690 B14R2.4475 Cc1cccc(c1)CNC2CCC2 270004a_100000185548_100000241760 [0,1,0,1,0,0|2,0,0]=4 42691 B14R2.4475 Cc1cccc(c1)CNC2CCC2 34a_100000185548_100000749161 [0,1,0,1,0,0|2,0,0]=4 42692 B14R2.4475 Cc1cccc(c1)CNC2CCC2 34a_100000749019_100000211840 [0,1,0,1,0,0|2,0,0]=4 42693 B14R2.4475 Cc1cccc(c1)COC2CCC2 34a_100000748187_100000211840 [0,1,0,1,0,0|2,0,0]=4 42694 B14R2.4475 Cc1cccc(c1)COC2CCC2 34a_100011217746_100000749161 [0,1,0,1,0,0|2,0,0]=4 42695 B14R2.4475 Cc1cccc(c1)CSC2CCC2 62a_100000211840_100000749161 [0,1,0,1,0,0|2,0,0]=4 42696 B14R2.4475 Cc1cccc(c1)NCC2CCC2 2230a_100000188690_100000763275 [0,1,0,1,0,0|2,0,0]=4 42697 B14R2.4475 Cc1cccc(c1)NCC2CCC2 34a_100000188690_100000763275 [0,1,0,1,0,0|2,0,0]=4 42698 B14R2.4475 Cc1cccc(c1)NCC2CCO2 2230a_100000188690_100000103362 [0,1,0,1,0,0|1,0,0]=3 42699 B14R2.4475 Cc1cccc(c1)NCC2CCO2 34a_100000188690_100000103362 [0,1,0,1,0,0|1,0,0]=3 42700 B14R2.4475 Cc1cccc(c1)OCC2CCC2 34a_100000210337_100000763275 [0,1,0,1,0,0|2,0,0]=4 42701 B14R2.4475 Cc1cccc(c1)OCC2CCC2 7a_100000210337_100000763275 [0,1,0,1,0,0|2,0,0]=4 42702 B14R2.4475 Cc1cccc(c1)OCC2CCO2 34a_100000210337_100000103362 [0,1,0,1,0,0|1,0,0]=3 42703 B14R2.4475 Cc1cccc(c1)OCC2CCO2 7a_100000210337_100000103362 [0,1,0,1,0,0|1,0,0]=3 42704 B14R2.4475 Cc1cccc(c1)SCC2CCC2 62a_100000763275_100011215228 [0,1,0,1,0,0|2,0,0]=4 42705 B14R2.4475 Cc1cccc(c1)SCC2CCC2 62a_100011215228_100000763275 [0,1,0,1,0,0|2,0,0]=4 42706 B14R2.4475 Cc1cccc(c1)SCC2CCO2 62a_100000103362_100011215228 [0,1,0,1,0,0|1,0,0]=3 42707 B14R2.4475 Cc1cccc(c1)SCC2CCO2 62a_100011215228_100000103362 [0,1,0,1,0,0|1,0,0]=3 42708 B14R2.4475 Cc1cccc(n1)SCC2CCO2 62a_100000103362_100000742759 [0,1,0,1,0,0|2,0,0]=4 42709 B14R2.4475 Cc1cccc(n1)SCC2CCO2 62a_100000742759_100000103362 [0,1,0,1,0,0|2,0,0]=4 42710 B14R2.4475 Cc1ccnc(c1)SCC2CCO2 62a_100000103362_100000750283 [0,1,0,1,0,0|2,0,0]=4 42711 B14R2.4475 Cc1ccnc(c1)SCC2CCO2 62a_100000750283_100000103362 [0,1,0,1,0,0|2,0,0]=4 42712 B14R2.4475 Cc1cncc(c1)OCC2CCO2 34a_100011830280_100000103362 [0,1,0,1,0,0|2,0,0]=4 42713 B14R2.4475 Cc1cncc(c1)OCC2CCO2 7a_100011830280_100000103362 [0,1,0,1,0,0|2,0,0]=4 42714 B14R2.4475 Cc1cncc(c1)SCC2CCO2 62a_100000103362_100000760492 [0,1,0,1,0,0|2,0,0]=4 42715 B14R2.4475 Cc1cncc(c1)SCC2CCO2 62a_100000760492_100000103362 [0,1,0,1,0,0|2,0,0]=4 42716 B14R2.4475 Clc1cc(ccn1)OCC2CCO2 34a_100000762945_100000103362 [0,1,0,1,0,0|2,0,0]=4 42717 B14R2.4475 Clc1cc(ccn1)SCC2CCO2 62a_100000035001_100000103362 [0,1,0,1,0,0|2,0,0]=4 42718 B14R2.4475 Clc1cc(ccn1)SCC2CCO2 62a_100000103362_100000035001 [0,1,0,1,0,0|2,0,0]=4 42719 B14R2.4475 Clc1cccc(c1)CCN2CCC2 269982a_100000754969_100011713710 [0,1,0,1,0,0|2,0,0]=4 42720 B14R2.4475 Clc1cccc(c1)CNC2CCC2 2230a_100000749019_100000181238 [0,1,0,1,0,0|2,0,0]=4 42721 B14R2.4475 Clc1cccc(c1)CNC2CCC2 270004a_100000174878_100000241760 [0,1,0,1,0,0|2,0,0]=4 42722 B14R2.4475 Clc1cccc(c1)CNC2CCC2 34a_100000174878_100000749161 [0,1,0,1,0,0|2,0,0]=4 42723 B14R2.4475 Clc1cccc(c1)CNC2CCC2 34a_100000749019_100000187163 [0,1,0,1,0,0|2,0,0]=4 42724 B14R2.4475 Clc1cccc(c1)COC2CCC2 34a_100000241301_100000749161 [0,1,0,1,0,0|2,0,0]=4 42725 B14R2.4475 Clc1cccc(c1)COC2CCC2 34a_100000748187_100000187163 [0,1,0,1,0,0|2,0,0]=4 42726 B14R2.4475 Clc1cccc(c1)CSC2CCC2 62a_100000187163_100000749161 [0,1,0,1,0,0|2,0,0]=4 42727 B14R2.4475 Clc1cccc(c1)NCC2CCC2 34a_100000185859_100000763275 [0,1,0,1,0,0|2,0,0]=4 42728 B14R2.4475 Clc1cccc(c1)NCC2CCO2 34a_100000185859_100000103362 [0,1,0,1,0,0|1,0,0]=3 42729 B14R2.4475 Clc1cccc(c1)OCC2CCC2 34a_100000210295_100000763275 [0,1,0,1,0,0|2,0,0]=4 42730 B14R2.4475 Clc1cccc(c1)OCC2CCC2 7a_100000210295_100000763275 [0,1,0,1,0,0|2,0,0]=4 42731 B14R2.4475 Clc1cccc(c1)OCC2CCO2 34a_100000210295_100000103362 [0,1,0,1,0,0|1,0,0]=3 42732 B14R2.4475 Clc1cccc(c1)OCC2CCO2 7a_100000210295_100000103362 [0,1,0,1,0,0|1,0,0]=3 42733 B14R2.4475 Clc1cccc(c1)SCC2CCC2 62a_100000699651_100000763275 [0,1,0,1,0,0|2,0,0]=4 42734 B14R2.4475 Clc1cccc(c1)SCC2CCC2 62a_100000763275_100000699651 [0,1,0,1,0,0|2,0,0]=4 42735 B14R2.4475 Clc1cccc(c1)SCC2CCO2 62a_100000103362_100000699651 [0,1,0,1,0,0|1,0,0]=3 42736 B14R2.4475 Clc1cccc(c1)SCC2CCO2 62a_100000699651_100000103362 [0,1,0,1,0,0|1,0,0]=3 42737 B14R2.4475 Clc1cccc(n1)SCC2CCO2 62a_100000051397_100000103362 [0,1,0,1,0,0|2,0,0]=4 42738 B14R2.4475 Clc1cccc(n1)SCC2CCO2 62a_100000103362_100000051397 [0,1,0,1,0,0|2,0,0]=4 42739 B14R2.4475 Clc1ccnc(c1)SCC2CCO2 62a_100000103362_100010167805 [0,1,0,1,0,0|2,0,0]=4 42740 B14R2.4475 Clc1ccnc(c1)SCC2CCO2 62a_100010167805_100000103362 [0,1,0,1,0,0|2,0,0]=4 42741 B14R2.4475 Clc1cncc(c1)OCC2CCO2 7a_100000032511_100000103362 [0,1,0,1,0,0|2,0,0]=4 42742 B14R2.4475 Clc1cncc(c1)SCC2CCO2 62a_100000049639_100000103362 [0,1,0,1,0,0|2,0,0]=4 42743 B14R2.4475 Clc1cncc(c1)SCC2CCO2 62a_100000103362_100000049639 [0,1,0,1,0,0|2,0,0]=4 42744 B14R2.4475 Fc1cc(ccn1)NC[C@@H]2CCO2 27a_100020831831_100009816116 [0,1,0,1,0,0|2,0,0]=4 42745 B14R2.4475 Fc1cc(ccn1)OCC2CCO2 34a_100000732698_100000103362 [0,1,0,1,0,0|2,0,0]=4 42746 B14R2.4475 Fc1cc(ccn1)SCC2CCO2 62a_100000103362_100009816116 [0,1,0,1,0,0|2,0,0]=4 42747 B14R2.4475 Fc1cc(ccn1)SCC2CCO2 62a_100009816116_100000103362 [0,1,0,1,0,0|2,0,0]=4 42748 B14R2.4475 Fc1cccc(c1)CCN2CCC2 269982a_100000754969_100011217235 [0,1,0,1,0,0|2,0,0]=4 42749 B14R2.4475 Fc1cccc(c1)CNC2CCC2 2230a_100000749019_100000230114 [0,1,0,1,0,0|2,0,0]=4 42750 B14R2.4475 Fc1cccc(c1)CNC2CCC2 270004a_100000174948_100000241760 [0,1,0,1,0,0|2,0,0]=4 42751 B14R2.4475 Fc1cccc(c1)CNC2CCC2 34a_100000174948_100000749161 [0,1,0,1,0,0|2,0,0]=4 42752 B14R2.4475 Fc1cccc(c1)CNC2CCC2 34a_100000749019_100000187166 [0,1,0,1,0,0|2,0,0]=4 42753 B14R2.4475 Fc1cccc(c1)COC2CCC2 34a_100000210976_100000749161 [0,1,0,1,0,0|2,0,0]=4 42754 B14R2.4475 Fc1cccc(c1)COC2CCC2 34a_100000748187_100000187166 [0,1,0,1,0,0|2,0,0]=4 42755 B14R2.4475 Fc1cccc(c1)CSC2CCC2 62a_100000230114_100000749161 [0,1,0,1,0,0|2,0,0]=4 42756 B14R2.4475 Fc1cccc(c1)NCC2CCC2 34a_100000210047_100000763275 [0,1,0,1,0,0|2,0,0]=4 42757 B14R2.4475 Fc1cccc(c1)NCC2CCO2 34a_100000210047_100000103362 [0,1,0,1,0,0|1,0,0]=3 42758 B14R2.4475 Fc1cccc(c1)OCC2CCC2 34a_100000210426_100000763275 [0,1,0,1,0,0|2,0,0]=4 42759 B14R2.4475 Fc1cccc(c1)OCC2CCC2 7a_100000210426_100000763275 [0,1,0,1,0,0|2,0,0]=4 42760 B14R2.4475 Fc1cccc(c1)OCC2CCO2 34a_100000210426_100000103362 [0,1,0,1,0,0|1,0,0]=3 42761 B14R2.4475 Fc1cccc(c1)OCC2CCO2 7a_100000210426_100000103362 [0,1,0,1,0,0|1,0,0]=3 42762 B14R2.4475 Fc1cccc(c1)SCC2CCC2 62a_100000685547_100000763275 [0,1,0,1,0,0|2,0,0]=4 42763 B14R2.4475 Fc1cccc(c1)SCC2CCC2 62a_100000763275_100000685547 [0,1,0,1,0,0|2,0,0]=4 42764 B14R2.4475 Fc1cccc(c1)SCC2CCO2 62a_100000103362_100000685547 [0,1,0,1,0,0|1,0,0]=3 42765 B14R2.4475 Fc1cccc(c1)SCC2CCO2 62a_100000685547_100000103362 [0,1,0,1,0,0|1,0,0]=3 42766 B14R2.4475 Fc1cccc(n1)NC[C@@H]2CCO2 27a_100020831831_100009815982 [0,1,0,1,0,0|2,0,0]=4 42767 B14R2.4475 Fc1cccc(n1)OCC2CCO2 34a_100011432558_100000103362 [0,1,0,1,0,0|2,0,0]=4 42768 B14R2.4475 Fc1cccc(n1)SCC2CCO2 62a_100000103362_100009815982 [0,1,0,1,0,0|2,0,0]=4 42769 B14R2.4475 Fc1cccc(n1)SCC2CCO2 62a_100009815982_100000103362 [0,1,0,1,0,0|2,0,0]=4 42770 B14R2.4475 Fc1ccnc(c1)NC[C@@H]2CCO2 27a_100020831831_100000764206 [0,1,0,1,0,0|2,0,0]=4 42771 B14R2.4475 Fc1ccnc(c1)SCC2CCO2 62a_100000103362_100000764206 [0,1,0,1,0,0|2,0,0]=4 42772 B14R2.4475 Fc1ccnc(c1)SCC2CCO2 62a_100000764206_100000103362 [0,1,0,1,0,0|2,0,0]=4 42773 B14R2.4475 Fc1cncc(c1)OCC2CCO2 34a_100011830296_100000103362 [0,1,0,1,0,0|2,0,0]=4 42774 B14R2.4475 Fc1cncc(c1)OCC2CCO2 7a_100011830296_100000103362 [0,1,0,1,0,0|2,0,0]=4 42775 B14R2.4475 Fc1cncc(c1)SCC2CCO2 62a_100000103362_100000744099 [0,1,0,1,0,0|2,0,0]=4 42776 B14R2.4475 Fc1cncc(c1)SCC2CCO2 62a_100000744099_100000103362 [0,1,0,1,0,0|2,0,0]=4 42777 B14R2.4475 Ic1cccc(c1)CNC2CCC2 2230a_100000749019_100011218688 [0,1,0,1,0,0|2,0,0]=4 42778 B14R2.4475 Ic1cccc(c1)CNC2CCC2 270004a_100000106179_100000241760 [0,1,0,1,0,0|2,0,0]=4 42779 B14R2.4475 Ic1cccc(c1)CNC2CCC2 34a_100000106179_100000749161 [0,1,0,1,0,0|2,0,0]=4 42780 B14R2.4475 Ic1cccc(c1)CNC2CCC2 34a_100000749019_100011218688 [0,1,0,1,0,0|2,0,0]=4 42781 B14R2.4475 Ic1cccc(c1)COC2CCC2 34a_100000748187_100011218688 [0,1,0,1,0,0|2,0,0]=4 42782 B14R2.4475 Ic1cccc(c1)COC2CCC2 34a_100011215336_100000749161 [0,1,0,1,0,0|2,0,0]=4 42783 B14R2.4475 Ic1cccc(c1)CSC2CCC2 62a_100011218688_100000749161 [0,1,0,1,0,0|2,0,0]=4 42784 B14R2.4475 Ic1cccc(c1)NCC2CCC2 34a_100000211102_100000763275 [0,1,0,1,0,0|2,0,0]=4 42785 B14R2.4475 Ic1cccc(c1)NCC2CCO2 34a_100000211102_100000103362 [0,1,0,1,0,0|1,0,0]=3 42786 B14R2.4475 Ic1cccc(c1)OCC2CCC2 34a_100000211634_100000763275 [0,1,0,1,0,0|2,0,0]=4 42787 B14R2.4475 Ic1cccc(c1)OCC2CCC2 7a_100000211634_100000763275 [0,1,0,1,0,0|2,0,0]=4 42788 B14R2.4475 Ic1cccc(c1)OCC2CCO2 34a_100000211634_100000103362 [0,1,0,1,0,0|1,0,0]=3 42789 B14R2.4475 Ic1cccc(c1)OCC2CCO2 7a_100000211634_100000103362 [0,1,0,1,0,0|1,0,0]=3 42790 B14R2.4475 Nc1cc(ccn1)OCC2CCO2 34a_100011834064_100000103362 [0,1,0,1,0,0|2,0,0]=4 42791 B14R2.4475 Nc1cc(ccn1)SCC2CCO2 62a_100000049665_100000103362 [0,1,0,1,0,0|2,0,0]=4 42792 B14R2.4475 Nc1cc(ccn1)SCC2CCO2 62a_100000103362_100000049665 [0,1,0,1,0,0|2,0,0]=4 42793 B14R2.4475 Nc1cccc(c1)COC2CCC2 34a_100000211919_100000749161 [0,1,0,1,0,0|2,0,0]=4 42794 B14R2.4475 Nc1cccc(c1)OCC2CCC2 34a_100000210217_100000763275 [0,1,0,1,0,0|2,0,0]=4 42795 B14R2.4475 Nc1cccc(c1)OCC2CCO2 34a_100000210217_100000103362 [0,1,0,1,0,0|1,0,0]=3 42796 B14R2.4475 Nc1cccc(c1)SCC2CCC2 62a_100000210019_100000763275 [0,1,0,1,0,0|2,0,0]=4 42797 B14R2.4475 Nc1cccc(c1)SCC2CCC2 62a_100000763275_100000210019 [0,1,0,1,0,0|2,0,0]=4 42798 B14R2.4475 Nc1cccc(c1)SCC2CCO2 62a_100000103362_100000210019 [0,1,0,1,0,0|1,0,0]=3 42799 B14R2.4475 Nc1cccc(c1)SCC2CCO2 62a_100000210019_100000103362 [0,1,0,1,0,0|1,0,0]=3 42800 B14R2.4475 Nc1cccc(n1)SCC2CCO2 62a_100000103362_100000740741 [0,1,0,1,0,0|2,0,0]=4 42801 B14R2.4475 Nc1cccc(n1)SCC2CCO2 62a_100000740741_100000103362 [0,1,0,1,0,0|2,0,0]=4 42802 B14R2.4475 Nc1ccnc(c1)SCC2CCO2 62a_100000103362_100009814236 [0,1,0,1,0,0|2,0,0]=4 42803 B14R2.4475 Nc1ccnc(c1)SCC2CCO2 62a_100009814236_100000103362 [0,1,0,1,0,0|2,0,0]=4 42804 B14R2.4475 Nc1cncc(c1)OCC2CCO2 34a_100011997051_100000103362 [0,1,0,1,0,0|2,0,0]=4 42805 B14R2.4475 Nc1cncc(c1)SCC2CCO2 62a_100000103362_100000687067 [0,1,0,1,0,0|2,0,0]=4 42806 B14R2.4475 Nc1cncc(c1)SCC2CCO2 62a_100000687067_100000103362 [0,1,0,1,0,0|2,0,0]=4 42807 B14R2.4475 O=c1cc(cc[nH]1)NC[C@@H]2CCO2 27a_100020831831_100000061649 [0,1,0,1,0,0|2,0,0]=4 42808 B14R2.4475 O=c1cc(cc[nH]1)OCC2CCO2 34a_100000032262_100000103362 [0,1,0,1,0,0|2,0,0]=4 42809 B14R2.4475 O=c1cc(cc[nH]1)SCC2CCO2 62a_100000103362_100009816521 [0,1,0,1,0,0|2,0,0]=4 42810 B14R2.4475 O=c1cc(cc[nH]1)SCC2CCO2 62a_100009816521_100000103362 [0,1,0,1,0,0|2,0,0]=4 42811 B14R2.4475 O=c1cc[nH]c(c1)SCC2CCO2 62a_100009817434_100000103362 [0,1,0,1,0,0|2,0,0]=4 42812 B14R2.4475 O=c1cccc([nH]1)OCC2CCO2 34a_100000033347_100000103362 [0,1,0,1,0,0|2,0,0]=4 42813 B14R2.4475 O=c1cccc([nH]1)SCC2CCO2 62a_100000103362_100000752884 [0,1,0,1,0,0|2,0,0]=4 42814 B14R2.4475 Oc1cccc(c1)CNC2CCC2 2230a_100000749019_100011660834 [0,1,0,1,0,0|2,0,0]=4 42815 B14R2.4475 Oc1cccc(c1)CNC2CCC2 270004a_100000743036_100000241760 [0,1,0,1,0,0|2,0,0]=4 42816 B14R2.4475 Oc1cccc(c1)CNC2CCC2 34a_100000743036_100000749161 [0,1,0,1,0,0|2,0,0]=4 42817 B14R2.4475 Oc1cccc(c1)CNC2CCC2 34a_100000749019_100011660834 [0,1,0,1,0,0|2,0,0]=4 42818 B14R2.4475 Oc1cccc(c1)COC2CCC2 34a_100000748187_100011660834 [0,1,0,1,0,0|2,0,0]=4 42819 B14R2.4475 Oc1cccc(c1)CSC2CCC2 62a_100011660834_100000749161 [0,1,0,1,0,0|2,0,0]=4 42820 B14R2.4475 Oc1cccc(c1)NCC2CCC2 34a_100000210217_100000763275 [0,1,0,1,0,0|2,0,0]=4 42821 B14R2.4475 Oc1cccc(c1)NCC2CCO2 34a_100000210217_100000103362 [0,1,0,1,0,0|1,0,0]=3 42822 B14R2.4475 Oc1cccc(c1)SCC2CCC2 62a_100000763275_100000211634 [0,1,0,1,0,0|2,0,0]=4 42823 B14R2.4475 Oc1cccc(c1)SCC2CCO2 62a_100000103362_100000211634 [0,1,0,1,0,0|1,0,0]=3 42824 B14R2.4475 Oc1ccnc(c1)SCC2CCO2 62a_100000103362_100000762945 [0,1,0,1,0,0|2,0,0]=4 42825 B14R2.4475 Oc1cncc(c1)SCC2CCO2 62a_100000103362_100000754920 [0,1,0,1,0,0|2,0,0]=4 42826 B14R2.4475 Oc1cncc(c1)SCC2CCO2 62a_100000754920_100000103362 [0,1,0,1,0,0|2,0,0]=4 42827 B14R2.4475 [O-][n+]1cccc(c1)OCC2CCO2 34a_100000039713_100000103362 [0,1,0,1,0,0|2,0,0]=4 42828 B14R2.4475 [O-][n+]1cccc(c1)OCC2CCO2 7a_100000039713_100000103362 [0,1,0,1,0,0|2,0,0]=4 42829 B14R2.4475 [O-][n+]1cccc(c1)SCC2CCO2 62a_100000103362_100009815978 [0,1,0,1,0,0|2,0,0]=4 42830 B14R2.4475 [S]c1cccc(c1)SCC2CCC2 62a_100000763275_114929384022 [0,1,0,1,0,0|2,0,0]=4 42831 B14R2.4475 [S]c1cccc(c1)SCC2CCC2 62a_114929384022_100000763275 [0,1,0,1,0,0|2,0,0]=4 42832 B14R2.4475 [S]c1cccc(c1)SCC2CCO2 62a_100000103362_114929384022 [0,1,0,1,0,0|1,0,0]=3 42833 B14R2.4475 [S]c1cccc(c1)SCC2CCO2 62a_114929384022_100000103362 [0,1,0,1,0,0|1,0,0]=3 42834 B14R2.6368 CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210202 [0,1,0,1,0,0|2,0,0]=4 42835 B14R2.6368 CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000210202 [0,1,0,1,0,0|2,0,0]=4 42836 B14R2.6368 FCNC1CCc2c1c(ccc2)Br 34a_100103168669_100015361967 [0,1,0,1,0,0|2,0,0]=4 42837 B14R2.9061 Brc1cc(ccn1)CNCC2CO2 2230a_100025757509_100011216344 [0,1,0,1,0,0|2,0,0]=4 42838 B14R2.9061 Brc1cc(ccn1)CNCC2CO2 34a_100025757509_102125554688 [0,1,0,1,0,0|2,0,0]=4 42839 B14R2.9061 Brc1cc(ccn1)COCC2CO2 34a_100009814636_102125554688 [0,1,0,1,0,0|2,0,0]=4 42840 B14R2.9061 Brc1cc(ccn1)COCC2CO2 7a_100009814636_102125554688 [0,1,0,1,0,0|2,0,0]=4 42841 B14R2.9061 Brc1cc(ccn1)COC[C@@H]2CO2 34a_100000757423_100010243470 [0,1,0,1,0,0|2,0,0]=4 42842 B14R2.9061 Brc1cc(ccn1)COC[C@@H]2CO2 7a_100009814636_100000745022 [0,1,0,1,0,0|2,0,0]=4 42843 B14R2.9061 Brc1cc(ccn1)CSCC2CO2 62a_100010254460_102125554688 [0,1,0,1,0,0|2,0,0]=4 42844 B14R2.9061 Brc1cc(ccn1)CSCC2CO2 62a_102125554688_100010243470 [0,1,0,1,0,0|2,0,0]=4 42845 B14R2.9061 Brc1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_100010243470 [0,1,0,1,0,0|2,0,0]=4 42846 B14R2.9061 Brc1cc(ccn1)CSC[C@@H]2CO2 62a_100010254460_100000745022 [0,1,0,1,0,0|2,0,0]=4 42847 B14R2.9061 Brc1cc(ccn1)SCCC2CO2 62a_100000732470_100009814637 [0,1,0,1,0,0|2,0,0]=4 42848 B14R2.9061 Brc1cc(ccn1)SCCC2CO2 62a_100009814637_100000732470 [0,1,0,1,0,0|2,0,0]=4 42849 B14R2.9061 Brc1cccc(c1)CCNC2CC2 34a_100000212008_100011740638 [0,1,0,1,0,0|2,0,0]=4 42850 B14R2.9061 Brc1cccc(c1)CCNC2CC2 34a_100011207229_100000211595 [0,1,0,1,0,0|2,0,0]=4 42851 B14R2.9061 Brc1cccc(c1)CCOC2CC2 34a_100011217444_100000211595 [0,1,0,1,0,0|2,0,0]=4 42852 B14R2.9061 Brc1cccc(c1)CCSC2CC2 62a_100011740638_100000211595 [0,1,0,1,0,0|2,0,0]=4 42853 B14R2.9061 Brc1cccc(c1)CNCC2CC2 207a_100000735609_100000210085 [0,1,0,1,0,0|2,0,0]=4 42854 B14R2.9061 Brc1cccc(c1)CNCC2CC2 2230a_100000174977_100000742324 [0,1,0,1,0,0|2,0,0]=4 42855 B14R2.9061 Brc1cccc(c1)CNCC2CC2 2230a_100000735609_100000698116 [0,1,0,1,0,0|2,0,0]=4 42856 B14R2.9061 Brc1cccc(c1)CNCC2CC2 269862a_100000174977_100000741477 [0,1,0,1,0,0|2,0,0]=4 42857 B14R2.9061 Brc1cccc(c1)CNCC2CC2 270004a_100000735609_100000210085 [0,1,0,1,0,0|2,0,0]=4 42858 B14R2.9061 Brc1cccc(c1)CNCC2CC2 34a_100000174977_100000742324 [0,1,0,1,0,0|2,0,0]=4 42859 B14R2.9061 Brc1cccc(c1)CNCC2CC2 34a_100000735609_100000698116 [0,1,0,1,0,0|2,0,0]=4 42860 B14R2.9061 Brc1cccc(c1)CNCC2CO2 2230a_100000174977_100011216344 [0,1,0,1,0,0|1,0,0]=3 42861 B14R2.9061 Brc1cccc(c1)CNCC2CO2 34a_100000174977_102125554688 [0,1,0,1,0,0|1,0,0]=3 42862 B14R2.9061 Brc1cccc(c1)COCC2CC2 34a_100000211283_100000698116 [0,1,0,1,0,0|2,0,0]=4 42863 B14R2.9061 Brc1cccc(c1)COCC2CC2 34a_100000687537_100000742324 [0,1,0,1,0,0|2,0,0]=4 42864 B14R2.9061 Brc1cccc(c1)COCC2CC2 7a_100000687537_100000742324 [0,1,0,1,0,0|2,0,0]=4 42865 B14R2.9061 Brc1cccc(c1)COCC2CO2 34a_100000687537_102125554688 [0,1,0,1,0,0|1,0,0]=3 42866 B14R2.9061 Brc1cccc(c1)COCC2CO2 7a_100000687537_102125554688 [0,1,0,1,0,0|1,0,0]=3 42867 B14R2.9061 Brc1cccc(c1)COCC2CS2 7a_100000687537_100000031435 [0,1,0,1,0,0|1,1,0]=4 42868 B14R2.9061 Brc1cccc(c1)COC[C@@H]2CO2 34a_100000757423_100000698116 [0,1,0,1,0,0|1,0,0]=3 42869 B14R2.9061 Brc1cccc(c1)COC[C@@H]2CO2 7a_100000687537_100000745022 [0,1,0,1,0,0|1,0,0]=3 42870 B14R2.9061 Brc1cccc(c1)CSCC2CC2 62a_100000211773_100000742324 [0,1,0,1,0,0|2,0,0]=4 42871 B14R2.9061 Brc1cccc(c1)CSCC2CC2 62a_100000756562_100000211773 [0,1,0,1,0,0|2,0,0]=4 42872 B14R2.9061 Brc1cccc(c1)CSCC2CO2 62a_100000211773_102125554688 [0,1,0,1,0,0|1,0,0]=3 42873 B14R2.9061 Brc1cccc(c1)CSCC2CO2 62a_102125554688_100000211773 [0,1,0,1,0,0|1,0,0]=3 42874 B14R2.9061 Brc1cccc(c1)CSCC2CS2 62a_100000031435_100000211773 [0,1,0,1,0,0|1,1,0]=4 42875 B14R2.9061 Brc1cccc(c1)CSCC2CS2 62a_100000211773_100000031435 [0,1,0,1,0,0|1,1,0]=4 42876 B14R2.9061 Brc1cccc(c1)CSC[C@@H]2CO2 62a_100000211773_100000745022 [0,1,0,1,0,0|1,0,0]=3 42877 B14R2.9061 Brc1cccc(c1)CSC[C@@H]2CO2 62a_100000745022_100000211773 [0,1,0,1,0,0|1,0,0]=3 42878 B14R2.9061 Brc1cccc(c1)NCCC2CC2 34a_100000210019_100000694398 [0,1,0,1,0,0|2,0,0]=4 42879 B14R2.9061 Brc1cccc(c1)NCCC2CO2 34a_100000210019_100000732470 [0,1,0,1,0,0|1,0,0]=3 42880 B14R2.9061 Brc1cccc(c1)OCCC2CC2 34a_100000210342_100000694398 [0,1,0,1,0,0|2,0,0]=4 42881 B14R2.9061 Brc1cccc(c1)OCCC2CC2 7a_100000210342_100000764125 [0,1,0,1,0,0|2,0,0]=4 42882 B14R2.9061 Brc1cccc(c1)OCCC2CO2 34a_100000210342_100000732470 [0,1,0,1,0,0|1,0,0]=3 42883 B14R2.9061 Brc1cccc(c1)OCCC2CO2 7a_100000210342_100000732470 [0,1,0,1,0,0|1,0,0]=3 42884 B14R2.9061 Brc1cccc(c1)SCCC2CC2 62a_100000691529_100000764125 [0,1,0,1,0,0|2,0,0]=4 42885 B14R2.9061 Brc1cccc(c1)SCCC2CC2 62a_100000764125_100000691529 [0,1,0,1,0,0|2,0,0]=4 42886 B14R2.9061 Brc1cccc(c1)SCCC2CO2 62a_100000691529_100000732470 [0,1,0,1,0,0|1,0,0]=3 42887 B14R2.9061 Brc1cccc(c1)SCCC2CO2 62a_100000732470_100000691529 [0,1,0,1,0,0|1,0,0]=3 42888 B14R2.9061 Brc1cccc(n1)CNCC2CO2 2230a_100016987751_100011216344 [0,1,0,1,0,0|2,0,0]=4 42889 B14R2.9061 Brc1cccc(n1)COCC2CO2 34a_100000694195_102125554688 [0,1,0,1,0,0|2,0,0]=4 42890 B14R2.9061 Brc1cccc(n1)COC[C@@H]2CO2 34a_100000757423_100009889011 [0,1,0,1,0,0|2,0,0]=4 42891 B14R2.9061 Brc1cccc(n1)CSCC2CO2 62a_100009889011_102125554688 [0,1,0,1,0,0|2,0,0]=4 42892 B14R2.9061 Brc1cccc(n1)CSCC2CO2 62a_102125554688_100009889011 [0,1,0,1,0,0|2,0,0]=4 42893 B14R2.9061 Brc1cccc(n1)CSC[C@@H]2CO2 62a_100000745022_100009889011 [0,1,0,1,0,0|2,0,0]=4 42894 B14R2.9061 Brc1cccc(n1)CSC[C@@H]2CO2 62a_100009889011_100000745022 [0,1,0,1,0,0|2,0,0]=4 42895 B14R2.9061 Brc1cccc(n1)SCCC2CO2 62a_100000684672_100000732470 [0,1,0,1,0,0|2,0,0]=4 42896 B14R2.9061 Brc1cccc(n1)SCCC2CO2 62a_100000732470_100000684672 [0,1,0,1,0,0|2,0,0]=4 42897 B14R2.9061 Brc1ccnc(c1)COC[C@@H]2CO2 34a_100000757423_100010173614 [0,1,0,1,0,0|2,0,0]=4 42898 B14R2.9061 Brc1ccnc(c1)CSCC2CO2 62a_100010173614_102125554688 [0,1,0,1,0,0|2,0,0]=4 42899 B14R2.9061 Brc1ccnc(c1)CSCC2CO2 62a_102125554688_100010173614 [0,1,0,1,0,0|2,0,0]=4 42900 B14R2.9061 Brc1ccnc(c1)CSC[C@@H]2CO2 62a_100000745022_100010173614 [0,1,0,1,0,0|2,0,0]=4 42901 B14R2.9061 Brc1ccnc(c1)CSC[C@@H]2CO2 62a_100010173614_100000745022 [0,1,0,1,0,0|2,0,0]=4 42902 B14R2.9061 Brc1cncc(c1)COCC2CO2 34a_100011259137_102125554688 [0,1,0,1,0,0|2,0,0]=4 42903 B14R2.9061 Brc1cncc(c1)COCC2CO2 7a_100011259137_102125554688 [0,1,0,1,0,0|2,0,0]=4 42904 B14R2.9061 Brc1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000738771 [0,1,0,1,0,0|2,0,0]=4 42905 B14R2.9061 Brc1cncc(c1)COC[C@@H]2CO2 7a_100011259137_100000745022 [0,1,0,1,0,0|2,0,0]=4 42906 B14R2.9061 Brc1cncc(c1)CSCC2CO2 62a_100000738771_102125554688 [0,1,0,1,0,0|2,0,0]=4 42907 B14R2.9061 Brc1cncc(c1)CSCC2CO2 62a_102125554688_100000738771 [0,1,0,1,0,0|2,0,0]=4 42908 B14R2.9061 Brc1cncc(c1)CSC[C@@H]2CO2 62a_100000738771_100000745022 [0,1,0,1,0,0|2,0,0]=4 42909 B14R2.9061 Brc1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000738771 [0,1,0,1,0,0|2,0,0]=4 42910 B14R2.9061 Brc1cncc(c1)OCCC2CO2 34a_100000754920_100000732470 [0,1,0,1,0,0|2,0,0]=4 42911 B14R2.9061 Brc1cncc(c1)OCCC2CO2 7a_100000754920_100000732470 [0,1,0,1,0,0|2,0,0]=4 42912 B14R2.9061 Brc1cncc(c1)SCCC2CO2 62a_100000728054_100000732470 [0,1,0,1,0,0|2,0,0]=4 42913 B14R2.9061 Brc1cncc(c1)SCCC2CO2 62a_100000732470_100000728054 [0,1,0,1,0,0|2,0,0]=4 42914 B14R2.9061 C[n+]1cccc(c1)SCCC2CO2 62a_100000732470_100009996589 [0,1,0,1,0,0|2,0,0]=4 42915 B14R2.9061 C[n+]1cccc(c1)SCCC2CO2 62a_100009996589_100000732470 [0,1,0,1,0,0|2,0,0]=4 42916 B14R2.9061 Cc1cc(ccn1)CNCC2CO2 34a_100011934566_102125554688 [0,1,0,1,0,0|2,0,0]=4 42917 B14R2.9061 Cc1cc(ccn1)COCC2CO2 34a_100011998630_102125554688 [0,1,0,1,0,0|2,0,0]=4 42918 B14R2.9061 Cc1cc(ccn1)COC[C@@H]2CO2 34a_100000757423_200020672517 [0,1,0,1,0,0|2,0,0]=4 42919 B14R2.9061 Cc1cc(ccn1)CSCC2CO2 62a_102125554688_200020672517 [0,1,0,1,0,0|2,0,0]=4 42920 B14R2.9061 Cc1cc(ccn1)CSCC2CO2 62a_200020672517_102125554688 [0,1,0,1,0,0|2,0,0]=4 42921 B14R2.9061 Cc1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_200020672517 [0,1,0,1,0,0|2,0,0]=4 42922 B14R2.9061 Cc1cc(ccn1)CSC[C@@H]2CO2 62a_200020672517_100000745022 [0,1,0,1,0,0|2,0,0]=4 42923 B14R2.9061 Cc1cc(ccn1)OCCC2CO2 34a_100000688365_100000732470 [0,1,0,1,0,0|2,0,0]=4 42924 B14R2.9061 Cc1cc(ccn1)SCCC2CO2 62a_100000732470_100000758586 [0,1,0,1,0,0|2,0,0]=4 42925 B14R2.9061 Cc1cc(ccn1)SCCC2CO2 62a_100000758586_100000732470 [0,1,0,1,0,0|2,0,0]=4 42926 B14R2.9061 Cc1cccc(c1)CCNC2CC2 34a_100000212008_100011713685 [0,1,0,1,0,0|2,0,0]=4 42927 B14R2.9061 Cc1cccc(c1)CCNC2CC2 34a_100000749837_100000211595 [0,1,0,1,0,0|2,0,0]=4 42928 B14R2.9061 Cc1cccc(c1)CCOC2CC2 34a_100011217157_100000211595 [0,1,0,1,0,0|2,0,0]=4 42929 B14R2.9061 Cc1cccc(c1)CCSC2CC2 62a_100011713685_100000211595 [0,1,0,1,0,0|2,0,0]=4 42930 B14R2.9061 Cc1cccc(c1)CNCC2CC2 207a_100000735609_100000211157 [0,1,0,1,0,0|2,0,0]=4 42931 B14R2.9061 Cc1cccc(c1)CNCC2CC2 2230a_100000185548_100000742324 [0,1,0,1,0,0|2,0,0]=4 42932 B14R2.9061 Cc1cccc(c1)CNCC2CC2 2230a_100000735609_100000211840 [0,1,0,1,0,0|2,0,0]=4 42933 B14R2.9061 Cc1cccc(c1)CNCC2CC2 269862a_100000185548_100000741477 [0,1,0,1,0,0|2,0,0]=4 42934 B14R2.9061 Cc1cccc(c1)CNCC2CC2 270004a_100000735609_100000211157 [0,1,0,1,0,0|2,0,0]=4 42935 B14R2.9061 Cc1cccc(c1)CNCC2CC2 34a_100000185548_100000742324 [0,1,0,1,0,0|2,0,0]=4 42936 B14R2.9061 Cc1cccc(c1)CNCC2CC2 34a_100000735609_100000211840 [0,1,0,1,0,0|2,0,0]=4 42937 B14R2.9061 Cc1cccc(c1)CNCC2CO2 2230a_100000185548_100011216344 [0,1,0,1,0,0|1,0,0]=3 42938 B14R2.9061 Cc1cccc(c1)CNCC2CO2 34a_100000185548_102125554688 [0,1,0,1,0,0|1,0,0]=3 42939 B14R2.9061 Cc1cccc(c1)COCC2CC2 34a_100000211283_100000211840 [0,1,0,1,0,0|2,0,0]=4 42940 B14R2.9061 Cc1cccc(c1)COCC2CC2 34a_100011217746_100000742324 [0,1,0,1,0,0|2,0,0]=4 42941 B14R2.9061 Cc1cccc(c1)COCC2CC2 7a_100011217746_100000742324 [0,1,0,1,0,0|2,0,0]=4 42942 B14R2.9061 Cc1cccc(c1)COCC2CO2 34a_100011217746_102125554688 [0,1,0,1,0,0|1,0,0]=3 42943 B14R2.9061 Cc1cccc(c1)COCC2CO2 7a_100011217746_102125554688 [0,1,0,1,0,0|1,0,0]=3 42944 B14R2.9061 Cc1cccc(c1)COCC2CS2 7a_100011217746_100000031435 [0,1,0,1,0,0|1,1,0]=4 42945 B14R2.9061 Cc1cccc(c1)COC[C@@H]2CO2 34a_100000757423_100000211840 [0,1,0,1,0,0|1,0,0]=3 42946 B14R2.9061 Cc1cccc(c1)COC[C@@H]2CO2 7a_100011217746_100000745022 [0,1,0,1,0,0|1,0,0]=3 42947 B14R2.9061 Cc1cccc(c1)CSCC2CC2 62a_100000211840_100000742324 [0,1,0,1,0,0|2,0,0]=4 42948 B14R2.9061 Cc1cccc(c1)CSCC2CC2 62a_100000756562_100000211840 [0,1,0,1,0,0|2,0,0]=4 42949 B14R2.9061 Cc1cccc(c1)CSCC2CO2 62a_100000211840_102125554688 [0,1,0,1,0,0|1,0,0]=3 42950 B14R2.9061 Cc1cccc(c1)CSCC2CO2 62a_102125554688_100000211840 [0,1,0,1,0,0|1,0,0]=3 42951 B14R2.9061 Cc1cccc(c1)CSCC2CS2 62a_100000031435_100000211840 [0,1,0,1,0,0|1,1,0]=4 42952 B14R2.9061 Cc1cccc(c1)CSCC2CS2 62a_100000211840_100000031435 [0,1,0,1,0,0|1,1,0]=4 42953 B14R2.9061 Cc1cccc(c1)CSC[C@@H]2CO2 62a_100000211840_100000745022 [0,1,0,1,0,0|1,0,0]=3 42954 B14R2.9061 Cc1cccc(c1)CSC[C@@H]2CO2 62a_100000745022_100000211840 [0,1,0,1,0,0|1,0,0]=3 42955 B14R2.9061 Cc1cccc(c1)NCCC2CC2 2230a_100000188690_100000694398 [0,1,0,1,0,0|2,0,0]=4 42956 B14R2.9061 Cc1cccc(c1)NCCC2CC2 34a_100000188690_100000694398 [0,1,0,1,0,0|2,0,0]=4 42957 B14R2.9061 Cc1cccc(c1)NCCC2CO2 2230a_100000188690_100000732470 [0,1,0,1,0,0|1,0,0]=3 42958 B14R2.9061 Cc1cccc(c1)NCCC2CO2 34a_100000188690_100000732470 [0,1,0,1,0,0|1,0,0]=3 42959 B14R2.9061 Cc1cccc(c1)OCCC2CC2 34a_100000210337_100000694398 [0,1,0,1,0,0|2,0,0]=4 42960 B14R2.9061 Cc1cccc(c1)OCCC2CC2 7a_100000210337_100000764125 [0,1,0,1,0,0|2,0,0]=4 42961 B14R2.9061 Cc1cccc(c1)OCCC2CO2 34a_100000210337_100000732470 [0,1,0,1,0,0|1,0,0]=3 42962 B14R2.9061 Cc1cccc(c1)OCCC2CO2 7a_100000210337_100000732470 [0,1,0,1,0,0|1,0,0]=3 42963 B14R2.9061 Cc1cccc(c1)SCCC2CC2 62a_100000764125_100011215228 [0,1,0,1,0,0|2,0,0]=4 42964 B14R2.9061 Cc1cccc(c1)SCCC2CC2 62a_100011215228_100000764125 [0,1,0,1,0,0|2,0,0]=4 42965 B14R2.9061 Cc1cccc(c1)SCCC2CO2 62a_100000732470_100011215228 [0,1,0,1,0,0|1,0,0]=3 42966 B14R2.9061 Cc1cccc(c1)SCCC2CO2 62a_100011215228_100000732470 [0,1,0,1,0,0|1,0,0]=3 42967 B14R2.9061 Cc1cccc(n1)CNCC2CO2 34a_100000701342_102125554688 [0,1,0,1,0,0|2,0,0]=4 42968 B14R2.9061 Cc1cccc(n1)COCC2CO2 34a_100000690600_102125554688 [0,1,0,1,0,0|2,0,0]=4 42969 B14R2.9061 Cc1cccc(n1)COC[C@@H]2CO2 34a_100000757423_100000757606 [0,1,0,1,0,0|2,0,0]=4 42970 B14R2.9061 Cc1cccc(n1)CSCC2CO2 62a_100000757606_102125554688 [0,1,0,1,0,0|2,0,0]=4 42971 B14R2.9061 Cc1cccc(n1)CSCC2CO2 62a_102125554688_100000757606 [0,1,0,1,0,0|2,0,0]=4 42972 B14R2.9061 Cc1cccc(n1)CSC[C@@H]2CO2 62a_100000745022_100000757606 [0,1,0,1,0,0|2,0,0]=4 42973 B14R2.9061 Cc1cccc(n1)CSC[C@@H]2CO2 62a_100000757606_100000745022 [0,1,0,1,0,0|2,0,0]=4 42974 B14R2.9061 Cc1cccc(n1)SCCC2CO2 62a_100000732470_100000742759 [0,1,0,1,0,0|2,0,0]=4 42975 B14R2.9061 Cc1cccc(n1)SCCC2CO2 62a_100000742759_100000732470 [0,1,0,1,0,0|2,0,0]=4 42976 B14R2.9061 Cc1ccnc(c1)COCC2CO2 34a_100011998357_102125554688 [0,1,0,1,0,0|2,0,0]=4 42977 B14R2.9061 Cc1ccnc(c1)COC[C@@H]2CO2 34a_100000757423_100000718516 [0,1,0,1,0,0|2,0,0]=4 42978 B14R2.9061 Cc1ccnc(c1)CSCC2CO2 62a_100000718516_102125554688 [0,1,0,1,0,0|2,0,0]=4 42979 B14R2.9061 Cc1ccnc(c1)CSCC2CO2 62a_102125554688_100000718516 [0,1,0,1,0,0|2,0,0]=4 42980 B14R2.9061 Cc1ccnc(c1)CSC[C@@H]2CO2 62a_100000718516_100000745022 [0,1,0,1,0,0|2,0,0]=4 42981 B14R2.9061 Cc1ccnc(c1)CSC[C@@H]2CO2 62a_100000745022_100000718516 [0,1,0,1,0,0|2,0,0]=4 42982 B14R2.9061 Cc1ccnc(c1)SCCC2CO2 62a_100000732470_100000750283 [0,1,0,1,0,0|2,0,0]=4 42983 B14R2.9061 Cc1ccnc(c1)SCCC2CO2 62a_100000750283_100000732470 [0,1,0,1,0,0|2,0,0]=4 42984 B14R2.9061 Cc1cncc(c1)CNCC2CO2 2230a_100000692839_100011216344 [0,1,0,1,0,0|2,0,0]=4 42985 B14R2.9061 Cc1cncc(c1)CNCC2CO2 34a_100000692839_102125554688 [0,1,0,1,0,0|2,0,0]=4 42986 B14R2.9061 Cc1cncc(c1)COCC2CO2 34a_100011998709_102125554688 [0,1,0,1,0,0|2,0,0]=4 42987 B14R2.9061 Cc1cncc(c1)COCC2CO2 7a_100011998709_102125554688 [0,1,0,1,0,0|2,0,0]=4 42988 B14R2.9061 Cc1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000716715 [0,1,0,1,0,0|2,0,0]=4 42989 B14R2.9061 Cc1cncc(c1)COC[C@@H]2CO2 7a_100011998709_100000745022 [0,1,0,1,0,0|2,0,0]=4 42990 B14R2.9061 Cc1cncc(c1)CSCC2CO2 62a_100000716715_102125554688 [0,1,0,1,0,0|2,0,0]=4 42991 B14R2.9061 Cc1cncc(c1)CSCC2CO2 62a_102125554688_100000716715 [0,1,0,1,0,0|2,0,0]=4 42992 B14R2.9061 Cc1cncc(c1)CSC[C@@H]2CO2 62a_100000716715_100000745022 [0,1,0,1,0,0|2,0,0]=4 42993 B14R2.9061 Cc1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000716715 [0,1,0,1,0,0|2,0,0]=4 42994 B14R2.9061 Cc1cncc(c1)OCCC2CO2 34a_100011830280_100000732470 [0,1,0,1,0,0|2,0,0]=4 42995 B14R2.9061 Cc1cncc(c1)OCCC2CO2 7a_100011830280_100000732470 [0,1,0,1,0,0|2,0,0]=4 42996 B14R2.9061 Cc1cncc(c1)SCCC2CO2 62a_100000732470_100000760492 [0,1,0,1,0,0|2,0,0]=4 42997 B14R2.9061 Cc1cncc(c1)SCCC2CO2 62a_100000760492_100000732470 [0,1,0,1,0,0|2,0,0]=4 42998 B14R2.9061 Clc1cc(ccn1)CNCC2CO2 2230a_100015205668_100011216344 [0,1,0,1,0,0|2,0,0]=4 42999 B14R2.9061 Clc1cc(ccn1)CNCC2CO2 34a_100015205668_102125554688 [0,1,0,1,0,0|2,0,0]=4 43000 B14R2.9061 Clc1cc(ccn1)COCC2CO2 34a_100000748751_102125554688 [0,1,0,1,0,0|2,0,0]=4 43001 B14R2.9061 Clc1cc(ccn1)COC[C@@H]2CO2 34a_100000757423_100000764220 [0,1,0,1,0,0|2,0,0]=4 43002 B14R2.9061 Clc1cc(ccn1)CSCC2CO2 62a_100000764220_102125554688 [0,1,0,1,0,0|2,0,0]=4 43003 B14R2.9061 Clc1cc(ccn1)CSCC2CO2 62a_102125554688_100000764220 [0,1,0,1,0,0|2,0,0]=4 43004 B14R2.9061 Clc1cc(ccn1)CSC[C@@H]2CO2 62a_100000745022_100000764220 [0,1,0,1,0,0|2,0,0]=4 43005 B14R2.9061 Clc1cc(ccn1)CSC[C@@H]2CO2 62a_100000764220_100000745022 [0,1,0,1,0,0|2,0,0]=4 43006 B14R2.9061 Clc1cc(ccn1)OCCC2CO2 34a_100000762945_100000732470 [0,1,0,1,0,0|2,0,0]=4 43007 B14R2.9061 Clc1cc(ccn1)SCCC2CO2 62a_100000035001_100000732470 [0,1,0,1,0,0|2,0,0]=4 43008 B14R2.9061 Clc1cc(ccn1)SCCC2CO2 62a_100000732470_100000035001 [0,1,0,1,0,0|2,0,0]=4 43009 B14R2.9061 Clc1cccc(c1)CCNC2CC2 34a_100000185263_100000211595 [0,1,0,1,0,0|2,0,0]=4 43010 B14R2.9061 Clc1cccc(c1)CCNC2CC2 34a_100000212008_100011713710 [0,1,0,1,0,0|2,0,0]=4 43011 B14R2.9061 Clc1cccc(c1)CCOC2CC2 34a_100000754733_100000211595 [0,1,0,1,0,0|2,0,0]=4 43012 B14R2.9061 Clc1cccc(c1)CCSC2CC2 62a_100011713710_100000211595 [0,1,0,1,0,0|2,0,0]=4 43013 B14R2.9061 Clc1cccc(c1)CNCC2CC2 207a_100000735609_100000210801 [0,1,0,1,0,0|2,0,0]=4 43014 B14R2.9061 Clc1cccc(c1)CNCC2CC2 2230a_100000174878_100000742324 [0,1,0,1,0,0|2,0,0]=4 43015 B14R2.9061 Clc1cccc(c1)CNCC2CC2 2230a_100000735609_100000181238 [0,1,0,1,0,0|2,0,0]=4 43016 B14R2.9061 Clc1cccc(c1)CNCC2CC2 269862a_100000174878_100000741477 [0,1,0,1,0,0|2,0,0]=4 43017 B14R2.9061 Clc1cccc(c1)CNCC2CC2 270004a_100000735609_100000210801 [0,1,0,1,0,0|2,0,0]=4 43018 B14R2.9061 Clc1cccc(c1)CNCC2CC2 34a_100000174878_100000742324 [0,1,0,1,0,0|2,0,0]=4 43019 B14R2.9061 Clc1cccc(c1)CNCC2CC2 34a_100000735609_100000187163 [0,1,0,1,0,0|2,0,0]=4 43020 B14R2.9061 Clc1cccc(c1)CNCC2CO2 2230a_100000174878_100011216344 [0,1,0,1,0,0|1,0,0]=3 43021 B14R2.9061 Clc1cccc(c1)CNCC2CO2 34a_100000174878_102125554688 [0,1,0,1,0,0|1,0,0]=3 43022 B14R2.9061 Clc1cccc(c1)COCC2CC2 34a_100000211283_100000187163 [0,1,0,1,0,0|2,0,0]=4 43023 B14R2.9061 Clc1cccc(c1)COCC2CC2 34a_100000241301_100000742324 [0,1,0,1,0,0|2,0,0]=4 43024 B14R2.9061 Clc1cccc(c1)COCC2CC2 7a_100000241301_100000742324 [0,1,0,1,0,0|2,0,0]=4 43025 B14R2.9061 Clc1cccc(c1)COCC2CO2 34a_100000241301_102125554688 [0,1,0,1,0,0|1,0,0]=3 43026 B14R2.9061 Clc1cccc(c1)COCC2CO2 7a_100000241301_102125554688 [0,1,0,1,0,0|1,0,0]=3 43027 B14R2.9061 Clc1cccc(c1)COCC2CS2 7a_100000241301_100000031435 [0,1,0,1,0,0|1,1,0]=4 43028 B14R2.9061 Clc1cccc(c1)COC[C@@H]2CO2 34a_100000757423_100000187163 [0,1,0,1,0,0|1,0,0]=3 43029 B14R2.9061 Clc1cccc(c1)COC[C@@H]2CO2 7a_100000241301_100000745022 [0,1,0,1,0,0|1,0,0]=3 43030 B14R2.9061 Clc1cccc(c1)CSCC2CC2 62a_100000187163_100000742324 [0,1,0,1,0,0|2,0,0]=4 43031 B14R2.9061 Clc1cccc(c1)CSCC2CC2 62a_100000756562_100000187163 [0,1,0,1,0,0|2,0,0]=4 43032 B14R2.9061 Clc1cccc(c1)CSCC2CO2 62a_100000187163_102125554688 [0,1,0,1,0,0|1,0,0]=3 43033 B14R2.9061 Clc1cccc(c1)CSCC2CO2 62a_102125554688_100000187163 [0,1,0,1,0,0|1,0,0]=3 43034 B14R2.9061 Clc1cccc(c1)CSCC2CS2 62a_100000031435_100000187163 [0,1,0,1,0,0|1,1,0]=4 43035 B14R2.9061 Clc1cccc(c1)CSCC2CS2 62a_100000187163_100000031435 [0,1,0,1,0,0|1,1,0]=4 43036 B14R2.9061 Clc1cccc(c1)CSC[C@@H]2CO2 62a_100000187163_100000745022 [0,1,0,1,0,0|1,0,0]=3 43037 B14R2.9061 Clc1cccc(c1)CSC[C@@H]2CO2 62a_100000745022_100000187163 [0,1,0,1,0,0|1,0,0]=3 43038 B14R2.9061 Clc1cccc(c1)NCCC2CC2 34a_100000185859_100000694398 [0,1,0,1,0,0|2,0,0]=4 43039 B14R2.9061 Clc1cccc(c1)NCCC2CO2 34a_100000185859_100000732470 [0,1,0,1,0,0|1,0,0]=3 43040 B14R2.9061 Clc1cccc(c1)OCCC2CC2 34a_100000210295_100000694398 [0,1,0,1,0,0|2,0,0]=4 43041 B14R2.9061 Clc1cccc(c1)OCCC2CC2 7a_100000210295_100000764125 [0,1,0,1,0,0|2,0,0]=4 43042 B14R2.9061 Clc1cccc(c1)OCCC2CO2 34a_100000210295_100000732470 [0,1,0,1,0,0|1,0,0]=3 43043 B14R2.9061 Clc1cccc(c1)OCCC2CO2 7a_100000210295_100000732470 [0,1,0,1,0,0|1,0,0]=3 43044 B14R2.9061 Clc1cccc(c1)SCCC2CC2 62a_100000699651_100000764125 [0,1,0,1,0,0|2,0,0]=4 43045 B14R2.9061 Clc1cccc(c1)SCCC2CC2 62a_100000764125_100000699651 [0,1,0,1,0,0|2,0,0]=4 43046 B14R2.9061 Clc1cccc(c1)SCCC2CO2 62a_100000699651_100000732470 [0,1,0,1,0,0|1,0,0]=3 43047 B14R2.9061 Clc1cccc(c1)SCCC2CO2 62a_100000732470_100000699651 [0,1,0,1,0,0|1,0,0]=3 43048 B14R2.9061 Clc1cccc(n1)CNCC2CO2 2230a_100016990191_100011216344 [0,1,0,1,0,0|2,0,0]=4 43049 B14R2.9061 Clc1cccc(n1)COCC2CO2 34a_100011998359_102125554688 [0,1,0,1,0,0|2,0,0]=4 43050 B14R2.9061 Clc1cccc(n1)COC[C@@H]2CO2 34a_100000757423_100000086093 [0,1,0,1,0,0|2,0,0]=4 43051 B14R2.9061 Clc1cccc(n1)CSCC2CO2 62a_100000086093_102125554688 [0,1,0,1,0,0|2,0,0]=4 43052 B14R2.9061 Clc1cccc(n1)CSCC2CO2 62a_102125554688_100000086093 [0,1,0,1,0,0|2,0,0]=4 43053 B14R2.9061 Clc1cccc(n1)CSC[C@@H]2CO2 62a_100000086093_100000745022 [0,1,0,1,0,0|2,0,0]=4 43054 B14R2.9061 Clc1cccc(n1)CSC[C@@H]2CO2 62a_100000745022_100000086093 [0,1,0,1,0,0|2,0,0]=4 43055 B14R2.9061 Clc1cccc(n1)SCCC2CO2 62a_100000051397_100000732470 [0,1,0,1,0,0|2,0,0]=4 43056 B14R2.9061 Clc1cccc(n1)SCCC2CO2 62a_100000732470_100000051397 [0,1,0,1,0,0|2,0,0]=4 43057 B14R2.9061 Clc1ccnc(c1)COCC2CO2 34a_100000748867_102125554688 [0,1,0,1,0,0|2,0,0]=4 43058 B14R2.9061 Clc1ccnc(c1)COC[C@@H]2CO2 34a_100000757423_100016988179 [0,1,0,1,0,0|2,0,0]=4 43059 B14R2.9061 Clc1ccnc(c1)CSCC2CO2 62a_100016988179_102125554688 [0,1,0,1,0,0|2,0,0]=4 43060 B14R2.9061 Clc1ccnc(c1)CSCC2CO2 62a_102125554688_100016988179 [0,1,0,1,0,0|2,0,0]=4 43061 B14R2.9061 Clc1ccnc(c1)CSC[C@@H]2CO2 62a_100000745022_100016988179 [0,1,0,1,0,0|2,0,0]=4 43062 B14R2.9061 Clc1ccnc(c1)CSC[C@@H]2CO2 62a_100016988179_100000745022 [0,1,0,1,0,0|2,0,0]=4 43063 B14R2.9061 Clc1ccnc(c1)SCCC2CO2 62a_100000732470_100010167805 [0,1,0,1,0,0|2,0,0]=4 43064 B14R2.9061 Clc1ccnc(c1)SCCC2CO2 62a_100010167805_100000732470 [0,1,0,1,0,0|2,0,0]=4 43065 B14R2.9061 Clc1cncc(c1)CNCC2CO2 2230a_200020614424_100011216344 [0,1,0,1,0,0|2,0,0]=4 43066 B14R2.9061 Clc1cncc(c1)COCC2CO2 34a_100000092867_102125554688 [0,1,0,1,0,0|2,0,0]=4 43067 B14R2.9061 Clc1cncc(c1)COCC2CO2 7a_100000092867_102125554688 [0,1,0,1,0,0|2,0,0]=4 43068 B14R2.9061 Clc1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100016992070 [0,1,0,1,0,0|2,0,0]=4 43069 B14R2.9061 Clc1cncc(c1)COC[C@@H]2CO2 7a_100000092867_100000745022 [0,1,0,1,0,0|2,0,0]=4 43070 B14R2.9061 Clc1cncc(c1)CSCC2CO2 62a_100016992070_102125554688 [0,1,0,1,0,0|2,0,0]=4 43071 B14R2.9061 Clc1cncc(c1)CSCC2CO2 62a_102125554688_100016992070 [0,1,0,1,0,0|2,0,0]=4 43072 B14R2.9061 Clc1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100016992070 [0,1,0,1,0,0|2,0,0]=4 43073 B14R2.9061 Clc1cncc(c1)CSC[C@@H]2CO2 62a_100016992070_100000745022 [0,1,0,1,0,0|2,0,0]=4 43074 B14R2.9061 Clc1cncc(c1)OCCC2CO2 7a_100000032511_100000732470 [0,1,0,1,0,0|2,0,0]=4 43075 B14R2.9061 Clc1cncc(c1)SCCC2CO2 62a_100000049639_100000732470 [0,1,0,1,0,0|2,0,0]=4 43076 B14R2.9061 Clc1cncc(c1)SCCC2CO2 62a_100000732470_100000049639 [0,1,0,1,0,0|2,0,0]=4 43077 B14R2.9061 Fc1cc(ccn1)CNCC2CO2 2230a_100015188774_100011216344 [0,1,0,1,0,0|2,0,0]=4 43078 B14R2.9061 Fc1cc(ccn1)CNCC2CO2 34a_100015188774_102125554688 [0,1,0,1,0,0|2,0,0]=4 43079 B14R2.9061 Fc1cc(ccn1)COCC2CO2 34a_100000082451_102125554688 [0,1,0,1,0,0|2,0,0]=4 43080 B14R2.9061 Fc1cc(ccn1)OCCC2CO2 34a_100000732698_100000732470 [0,1,0,1,0,0|2,0,0]=4 43081 B14R2.9061 Fc1cc(ccn1)SCCC2CO2 62a_100000732470_100009816116 [0,1,0,1,0,0|2,0,0]=4 43082 B14R2.9061 Fc1cc(ccn1)SCCC2CO2 62a_100009816116_100000732470 [0,1,0,1,0,0|2,0,0]=4 43083 B14R2.9061 Fc1cccc(c1)CCNC2CC2 34a_100000205154_100000211595 [0,1,0,1,0,0|2,0,0]=4 43084 B14R2.9061 Fc1cccc(c1)CCNC2CC2 34a_100000212008_100011217235 [0,1,0,1,0,0|2,0,0]=4 43085 B14R2.9061 Fc1cccc(c1)CCOC2CC2 34a_100000763591_100000211595 [0,1,0,1,0,0|2,0,0]=4 43086 B14R2.9061 Fc1cccc(c1)CCSC2CC2 62a_100011217235_100000211595 [0,1,0,1,0,0|2,0,0]=4 43087 B14R2.9061 Fc1cccc(c1)CNCC2CC2 207a_100000735609_100000210812 [0,1,0,1,0,0|2,0,0]=4 43088 B14R2.9061 Fc1cccc(c1)CNCC2CC2 2230a_100000174948_100000742324 [0,1,0,1,0,0|2,0,0]=4 43089 B14R2.9061 Fc1cccc(c1)CNCC2CC2 2230a_100000735609_100000230114 [0,1,0,1,0,0|2,0,0]=4 43090 B14R2.9061 Fc1cccc(c1)CNCC2CC2 269862a_100000174948_100000741477 [0,1,0,1,0,0|2,0,0]=4 43091 B14R2.9061 Fc1cccc(c1)CNCC2CC2 270004a_100000735609_100000210812 [0,1,0,1,0,0|2,0,0]=4 43092 B14R2.9061 Fc1cccc(c1)CNCC2CC2 34a_100000174948_100000742324 [0,1,0,1,0,0|2,0,0]=4 43093 B14R2.9061 Fc1cccc(c1)CNCC2CC2 34a_100000735609_100000187166 [0,1,0,1,0,0|2,0,0]=4 43094 B14R2.9061 Fc1cccc(c1)CNCC2CO2 2230a_100000174948_100011216344 [0,1,0,1,0,0|1,0,0]=3 43095 B14R2.9061 Fc1cccc(c1)CNCC2CO2 34a_100000174948_102125554688 [0,1,0,1,0,0|1,0,0]=3 43096 B14R2.9061 Fc1cccc(c1)COCC2CC2 34a_100000210976_100000742324 [0,1,0,1,0,0|2,0,0]=4 43097 B14R2.9061 Fc1cccc(c1)COCC2CC2 34a_100000211283_100000187166 [0,1,0,1,0,0|2,0,0]=4 43098 B14R2.9061 Fc1cccc(c1)COCC2CC2 7a_100000210976_100000742324 [0,1,0,1,0,0|2,0,0]=4 43099 B14R2.9061 Fc1cccc(c1)COCC2CO2 34a_100000210976_102125554688 [0,1,0,1,0,0|1,0,0]=3 43100 B14R2.9061 Fc1cccc(c1)COCC2CO2 7a_100000210976_102125554688 [0,1,0,1,0,0|1,0,0]=3 43101 B14R2.9061 Fc1cccc(c1)COCC2CS2 7a_100000210976_100000031435 [0,1,0,1,0,0|1,1,0]=4 43102 B14R2.9061 Fc1cccc(c1)COC[C@@H]2CO2 34a_100000757423_100000187166 [0,1,0,1,0,0|1,0,0]=3 43103 B14R2.9061 Fc1cccc(c1)COC[C@@H]2CO2 7a_100000210976_100000745022 [0,1,0,1,0,0|1,0,0]=3 43104 B14R2.9061 Fc1cccc(c1)CSCC2CC2 62a_100000230114_100000742324 [0,1,0,1,0,0|2,0,0]=4 43105 B14R2.9061 Fc1cccc(c1)CSCC2CC2 62a_100000756562_100000230114 [0,1,0,1,0,0|2,0,0]=4 43106 B14R2.9061 Fc1cccc(c1)CSCC2CO2 62a_100000230114_102125554688 [0,1,0,1,0,0|1,0,0]=3 43107 B14R2.9061 Fc1cccc(c1)CSCC2CO2 62a_102125554688_100000230114 [0,1,0,1,0,0|1,0,0]=3 43108 B14R2.9061 Fc1cccc(c1)CSCC2CS2 62a_100000031435_100000230114 [0,1,0,1,0,0|1,1,0]=4 43109 B14R2.9061 Fc1cccc(c1)CSCC2CS2 62a_100000230114_100000031435 [0,1,0,1,0,0|1,1,0]=4 43110 B14R2.9061 Fc1cccc(c1)CSC[C@@H]2CO2 62a_100000230114_100000745022 [0,1,0,1,0,0|1,0,0]=3 43111 B14R2.9061 Fc1cccc(c1)CSC[C@@H]2CO2 62a_100000745022_100000230114 [0,1,0,1,0,0|1,0,0]=3 43112 B14R2.9061 Fc1cccc(c1)NCCC2CC2 34a_100000210047_100000694398 [0,1,0,1,0,0|2,0,0]=4 43113 B14R2.9061 Fc1cccc(c1)NCCC2CO2 34a_100000210047_100000732470 [0,1,0,1,0,0|1,0,0]=3 43114 B14R2.9061 Fc1cccc(c1)OCCC2CC2 34a_100000210426_100000694398 [0,1,0,1,0,0|2,0,0]=4 43115 B14R2.9061 Fc1cccc(c1)OCCC2CC2 7a_100000210426_100000764125 [0,1,0,1,0,0|2,0,0]=4 43116 B14R2.9061 Fc1cccc(c1)OCCC2CO2 34a_100000210426_100000732470 [0,1,0,1,0,0|1,0,0]=3 43117 B14R2.9061 Fc1cccc(c1)OCCC2CO2 7a_100000210426_100000732470 [0,1,0,1,0,0|1,0,0]=3 43118 B14R2.9061 Fc1cccc(c1)SCCC2CC2 62a_100000685547_100000764125 [0,1,0,1,0,0|2,0,0]=4 43119 B14R2.9061 Fc1cccc(c1)SCCC2CC2 62a_100000764125_100000685547 [0,1,0,1,0,0|2,0,0]=4 43120 B14R2.9061 Fc1cccc(c1)SCCC2CO2 62a_100000685547_100000732470 [0,1,0,1,0,0|1,0,0]=3 43121 B14R2.9061 Fc1cccc(c1)SCCC2CO2 62a_100000732470_100000685547 [0,1,0,1,0,0|1,0,0]=3 43122 B14R2.9061 Fc1cccc(n1)CNCC2CO2 2230a_100015188798_100011216344 [0,1,0,1,0,0|2,0,0]=4 43123 B14R2.9061 Fc1cccc(n1)CNCC2CO2 34a_100015188798_102125554688 [0,1,0,1,0,0|2,0,0]=4 43124 B14R2.9061 Fc1cccc(n1)COCC2CO2 34a_100000086748_102125554688 [0,1,0,1,0,0|2,0,0]=4 43125 B14R2.9061 Fc1cccc(n1)COC[C@@H]2CO2 34a_100000757423_100009819644 [0,1,0,1,0,0|2,0,0]=4 43126 B14R2.9061 Fc1cccc(n1)CSCC2CO2 62a_100009819644_102125554688 [0,1,0,1,0,0|2,0,0]=4 43127 B14R2.9061 Fc1cccc(n1)CSCC2CO2 62a_102125554688_100009819644 [0,1,0,1,0,0|2,0,0]=4 43128 B14R2.9061 Fc1cccc(n1)CSC[C@@H]2CO2 62a_100000745022_100009819644 [0,1,0,1,0,0|2,0,0]=4 43129 B14R2.9061 Fc1cccc(n1)CSC[C@@H]2CO2 62a_100009819644_100000745022 [0,1,0,1,0,0|2,0,0]=4 43130 B14R2.9061 Fc1cccc(n1)OCCC2CO2 34a_100011432558_100000732470 [0,1,0,1,0,0|2,0,0]=4 43131 B14R2.9061 Fc1cccc(n1)SCCC2CO2 62a_100000732470_100009815982 [0,1,0,1,0,0|2,0,0]=4 43132 B14R2.9061 Fc1cccc(n1)SCCC2CO2 62a_100009815982_100000732470 [0,1,0,1,0,0|2,0,0]=4 43133 B14R2.9061 Fc1ccnc(c1)SCCC2CO2 62a_100000732470_100000764206 [0,1,0,1,0,0|2,0,0]=4 43134 B14R2.9061 Fc1ccnc(c1)SCCC2CO2 62a_100000764206_100000732470 [0,1,0,1,0,0|2,0,0]=4 43135 B14R2.9061 Fc1cncc(c1)CNCC2CO2 2230a_100011962886_100011216344 [0,1,0,1,0,0|2,0,0]=4 43136 B14R2.9061 Fc1cncc(c1)CNCC2CO2 34a_100011962886_102125554688 [0,1,0,1,0,0|2,0,0]=4 43137 B14R2.9061 Fc1cncc(c1)COCC2CO2 34a_100011962875_102125554688 [0,1,0,1,0,0|2,0,0]=4 43138 B14R2.9061 Fc1cncc(c1)COCC2CO2 7a_100011962875_102125554688 [0,1,0,1,0,0|2,0,0]=4 43139 B14R2.9061 Fc1cncc(c1)COC[C@@H]2CO2 34a_100000757423_100000725299 [0,1,0,1,0,0|2,0,0]=4 43140 B14R2.9061 Fc1cncc(c1)COC[C@@H]2CO2 7a_100011962875_100000745022 [0,1,0,1,0,0|2,0,0]=4 43141 B14R2.9061 Fc1cncc(c1)CSCC2CO2 62a_100000725299_102125554688 [0,1,0,1,0,0|2,0,0]=4 43142 B14R2.9061 Fc1cncc(c1)CSCC2CO2 62a_102125554688_100000725299 [0,1,0,1,0,0|2,0,0]=4 43143 B14R2.9061 Fc1cncc(c1)CSC[C@@H]2CO2 62a_100000725299_100000745022 [0,1,0,1,0,0|2,0,0]=4 43144 B14R2.9061 Fc1cncc(c1)CSC[C@@H]2CO2 62a_100000745022_100000725299 [0,1,0,1,0,0|2,0,0]=4 43145 B14R2.9061 Fc1cncc(c1)OCCC2CO2 34a_100011830296_100000732470 [0,1,0,1,0,0|2,0,0]=4 43146 B14R2.9061 Fc1cncc(c1)OCCC2CO2 7a_100011830296_100000732470 [0,1,0,1,0,0|2,0,0]=4 43147 B14R2.9061 Fc1cncc(c1)SCCC2CO2 62a_100000732470_100000744099 [0,1,0,1,0,0|2,0,0]=4 43148 B14R2.9061 Fc1cncc(c1)SCCC2CO2 62a_100000744099_100000732470 [0,1,0,1,0,0|2,0,0]=4 43149 B14R2.9061 Ic1cccc(c1)CNCC2CC2 207a_100000735609_100000014684 [0,1,0,1,0,0|2,0,0]=4 43150 B14R2.9061 Ic1cccc(c1)CNCC2CC2 2230a_100000106179_100000742324 [0,1,0,1,0,0|2,0,0]=4 43151 B14R2.9061 Ic1cccc(c1)CNCC2CC2 2230a_100000735609_100011218688 [0,1,0,1,0,0|2,0,0]=4 43152 B14R2.9061 Ic1cccc(c1)CNCC2CC2 269862a_100000106179_100000741477 [0,1,0,1,0,0|2,0,0]=4 43153 B14R2.9061 Ic1cccc(c1)CNCC2CC2 270004a_100000735609_100000014684 [0,1,0,1,0,0|2,0,0]=4 43154 B14R2.9061 Ic1cccc(c1)CNCC2CC2 34a_100000106179_100000742324 [0,1,0,1,0,0|2,0,0]=4 43155 B14R2.9061 Ic1cccc(c1)CNCC2CC2 34a_100000735609_100011218688 [0,1,0,1,0,0|2,0,0]=4 43156 B14R2.9061 Ic1cccc(c1)CNCC2CO2 2230a_100000106179_100011216344 [0,1,0,1,0,0|1,0,0]=3 43157 B14R2.9061 Ic1cccc(c1)CNCC2CO2 34a_100000106179_102125554688 [0,1,0,1,0,0|1,0,0]=3 43158 B14R2.9061 Ic1cccc(c1)COCC2CC2 34a_100000211283_100011218688 [0,1,0,1,0,0|2,0,0]=4 43159 B14R2.9061 Ic1cccc(c1)COCC2CC2 34a_100011215336_100000742324 [0,1,0,1,0,0|2,0,0]=4 43160 B14R2.9061 Ic1cccc(c1)COCC2CC2 7a_100011215336_100000742324 [0,1,0,1,0,0|2,0,0]=4 43161 B14R2.9061 Ic1cccc(c1)COCC2CO2 34a_100011215336_102125554688 [0,1,0,1,0,0|1,0,0]=3 43162 B14R2.9061 Ic1cccc(c1)COCC2CO2 7a_100011215336_102125554688 [0,1,0,1,0,0|1,0,0]=3 43163 B14R2.9061 Ic1cccc(c1)COCC2CS2 7a_100011215336_100000031435 [0,1,0,1,0,0|1,1,0]=4 43164 B14R2.9061 Ic1cccc(c1)COC[C@@H]2CO2 34a_100000757423_100011218688 [0,1,0,1,0,0|1,0,0]=3 43165 B14R2.9061 Ic1cccc(c1)COC[C@@H]2CO2 7a_100011215336_100000745022 [0,1,0,1,0,0|1,0,0]=3 43166 B14R2.9061 Ic1cccc(c1)CSCC2CC2 62a_100000756562_100011218688 [0,1,0,1,0,0|2,0,0]=4 43167 B14R2.9061 Ic1cccc(c1)CSCC2CC2 62a_100011218688_100000742324 [0,1,0,1,0,0|2,0,0]=4 43168 B14R2.9061 Ic1cccc(c1)CSCC2CO2 62a_100011218688_102125554688 [0,1,0,1,0,0|1,0,0]=3 43169 B14R2.9061 Ic1cccc(c1)CSCC2CO2 62a_102125554688_100011218688 [0,1,0,1,0,0|1,0,0]=3 43170 B14R2.9061 Ic1cccc(c1)CSCC2CS2 62a_100000031435_100011218688 [0,1,0,1,0,0|1,1,0]=4 43171 B14R2.9061 Ic1cccc(c1)CSCC2CS2 62a_100011218688_100000031435 [0,1,0,1,0,0|1,1,0]=4 43172 B14R2.9061 Ic1cccc(c1)CSC[C@@H]2CO2 62a_100000745022_100011218688 [0,1,0,1,0,0|1,0,0]=3 43173 B14R2.9061 Ic1cccc(c1)CSC[C@@H]2CO2 62a_100011218688_100000745022 [0,1,0,1,0,0|1,0,0]=3 43174 B14R2.9061 Ic1cccc(c1)NCCC2CC2 34a_100000211102_100000694398 [0,1,0,1,0,0|2,0,0]=4 43175 B14R2.9061 Ic1cccc(c1)NCCC2CO2 34a_100000211102_100000732470 [0,1,0,1,0,0|1,0,0]=3 43176 B14R2.9061 Ic1cccc(c1)OCCC2CC2 34a_100000211634_100000694398 [0,1,0,1,0,0|2,0,0]=4 43177 B14R2.9061 Ic1cccc(c1)OCCC2CC2 7a_100000211634_100000764125 [0,1,0,1,0,0|2,0,0]=4 43178 B14R2.9061 Ic1cccc(c1)OCCC2CO2 34a_100000211634_100000732470 [0,1,0,1,0,0|1,0,0]=3 43179 B14R2.9061 Ic1cccc(c1)OCCC2CO2 7a_100000211634_100000732470 [0,1,0,1,0,0|1,0,0]=3 43180 B14R2.9061 Nc1cc(ccn1)OCCC2CO2 34a_100011834064_100000732470 [0,1,0,1,0,0|2,0,0]=4 43181 B14R2.9061 Nc1cc(ccn1)SCCC2CO2 62a_100000049665_100000732470 [0,1,0,1,0,0|2,0,0]=4 43182 B14R2.9061 Nc1cc(ccn1)SCCC2CO2 62a_100000732470_100000049665 [0,1,0,1,0,0|2,0,0]=4 43183 B14R2.9061 Nc1cccc(c1)CCOC2CC2 34a_100011996697_100000211595 [0,1,0,1,0,0|2,0,0]=4 43184 B14R2.9061 Nc1cccc(c1)COCC2CC2 34a_100000211919_100000742324 [0,1,0,1,0,0|2,0,0]=4 43185 B14R2.9061 Nc1cccc(c1)COCC2CO2 34a_100000211919_102125554688 [0,1,0,1,0,0|1,0,0]=3 43186 B14R2.9061 Nc1cccc(c1)OCCC2CC2 34a_100000210217_100000694398 [0,1,0,1,0,0|2,0,0]=4 43187 B14R2.9061 Nc1cccc(c1)OCCC2CO2 34a_100000210217_100000732470 [0,1,0,1,0,0|1,0,0]=3 43188 B14R2.9061 Nc1cccc(c1)SCCC2CC2 62a_100000210019_100000764125 [0,1,0,1,0,0|2,0,0]=4 43189 B14R2.9061 Nc1cccc(c1)SCCC2CC2 62a_100000764125_100000210019 [0,1,0,1,0,0|2,0,0]=4 43190 B14R2.9061 Nc1cccc(c1)SCCC2CO2 62a_100000210019_100000732470 [0,1,0,1,0,0|1,0,0]=3 43191 B14R2.9061 Nc1cccc(c1)SCCC2CO2 62a_100000732470_100000210019 [0,1,0,1,0,0|1,0,0]=3 43192 B14R2.9061 Nc1cccc(n1)SCCC2CO2 62a_100000732470_100000740741 [0,1,0,1,0,0|2,0,0]=4 43193 B14R2.9061 Nc1cccc(n1)SCCC2CO2 62a_100000740741_100000732470 [0,1,0,1,0,0|2,0,0]=4 43194 B14R2.9061 Nc1ccnc(c1)COCC2CO2 34a_100000692640_102125554688 [0,1,0,1,0,0|2,0,0]=4 43195 B14R2.9061 Nc1ccnc(c1)SCCC2CO2 62a_100000732470_100009814236 [0,1,0,1,0,0|2,0,0]=4 43196 B14R2.9061 Nc1ccnc(c1)SCCC2CO2 62a_100009814236_100000732470 [0,1,0,1,0,0|2,0,0]=4 43197 B14R2.9061 Nc1cncc(c1)COCC2CO2 34a_100000085308_102125554688 [0,1,0,1,0,0|2,0,0]=4 43198 B14R2.9061 Nc1cncc(c1)OCCC2CO2 34a_100011997051_100000732470 [0,1,0,1,0,0|2,0,0]=4 43199 B14R2.9061 Nc1cncc(c1)SCCC2CO2 62a_100000687067_100000732470 [0,1,0,1,0,0|2,0,0]=4 43200 B14R2.9061 Nc1cncc(c1)SCCC2CO2 62a_100000732470_100000687067 [0,1,0,1,0,0|2,0,0]=4 43201 B14R2.9061 O=c1cc(cc[nH]1)OCCC2CO2 34a_100000032262_100000732470 [0,1,0,1,0,0|2,0,0]=4 43202 B14R2.9061 O=c1cc(cc[nH]1)SCCC2CO2 62a_100000732470_100009816521 [0,1,0,1,0,0|2,0,0]=4 43203 B14R2.9061 O=c1cc(cc[nH]1)SCCC2CO2 62a_100009816521_100000732470 [0,1,0,1,0,0|2,0,0]=4 43204 B14R2.9061 O=c1cc[nH]c(c1)SCCC2CO2 62a_100009817434_100000732470 [0,1,0,1,0,0|2,0,0]=4 43205 B14R2.9061 O=c1cccc([nH]1)CNCC2CO2 2230a_100000696482_100011216344 [0,1,0,1,0,0|2,0,0]=4 43206 B14R2.9061 O=c1cccc([nH]1)OCCC2CO2 34a_100000033347_100000732470 [0,1,0,1,0,0|2,0,0]=4 43207 B14R2.9061 O=c1cccc([nH]1)SCCC2CO2 62a_100000732470_100000752884 [0,1,0,1,0,0|2,0,0]=4 43208 B14R2.9061 Oc1cccc(c1)CCNC2CC2 34a_100000747277_100000211595 [0,1,0,1,0,0|2,0,0]=4 43209 B14R2.9061 Oc1cccc(c1)CNCC2CC2 207a_100000735609_100000188321 [0,1,0,1,0,0|2,0,0]=4 43210 B14R2.9061 Oc1cccc(c1)CNCC2CC2 2230a_100000735609_100011660834 [0,1,0,1,0,0|2,0,0]=4 43211 B14R2.9061 Oc1cccc(c1)CNCC2CC2 2230a_100000743036_100000742324 [0,1,0,1,0,0|2,0,0]=4 43212 B14R2.9061 Oc1cccc(c1)CNCC2CC2 269862a_100000743036_100000741477 [0,1,0,1,0,0|2,0,0]=4 43213 B14R2.9061 Oc1cccc(c1)CNCC2CC2 270004a_100000735609_100000188321 [0,1,0,1,0,0|2,0,0]=4 43214 B14R2.9061 Oc1cccc(c1)CNCC2CC2 271570a_203496583355_100000712819 [0,1,0,1,0,0|2,0,0]=4 43215 B14R2.9061 Oc1cccc(c1)CNCC2CC2 34a_100000735609_100011660834 [0,1,0,1,0,0|2,0,0]=4 43216 B14R2.9061 Oc1cccc(c1)CNCC2CC2 34a_100000743036_100000742324 [0,1,0,1,0,0|2,0,0]=4 43217 B14R2.9061 Oc1cccc(c1)CNCC2CO2 2230a_100000743036_100011216344 [0,1,0,1,0,0|1,0,0]=3 43218 B14R2.9061 Oc1cccc(c1)CNCC2CO2 34a_100000743036_102125554688 [0,1,0,1,0,0|1,0,0]=3 43219 B14R2.9061 Oc1cccc(c1)COCC2CC2 34a_100000211283_100011660834 [0,1,0,1,0,0|2,0,0]=4 43220 B14R2.9061 Oc1cccc(c1)COC[C@@H]2CO2 34a_100000757423_100011660834 [0,1,0,1,0,0|1,0,0]=3 43221 B14R2.9061 Oc1cccc(c1)CSCC2CC2 62a_100000756562_100011660834 [0,1,0,1,0,0|2,0,0]=4 43222 B14R2.9061 Oc1cccc(c1)CSCC2CC2 62a_100011660834_100000742324 [0,1,0,1,0,0|2,0,0]=4 43223 B14R2.9061 Oc1cccc(c1)CSCC2CO2 62a_100011660834_102125554688 [0,1,0,1,0,0|1,0,0]=3 43224 B14R2.9061 Oc1cccc(c1)CSCC2CO2 62a_102125554688_100011660834 [0,1,0,1,0,0|1,0,0]=3 43225 B14R2.9061 Oc1cccc(c1)CSCC2CS2 62a_100000031435_100011660834 [0,1,0,1,0,0|1,1,0]=4 43226 B14R2.9061 Oc1cccc(c1)CSCC2CS2 62a_100011660834_100000031435 [0,1,0,1,0,0|1,1,0]=4 43227 B14R2.9061 Oc1cccc(c1)CSC[C@@H]2CO2 62a_100000745022_100011660834 [0,1,0,1,0,0|1,0,0]=3 43228 B14R2.9061 Oc1cccc(c1)CSC[C@@H]2CO2 62a_100011660834_100000745022 [0,1,0,1,0,0|1,0,0]=3 43229 B14R2.9061 Oc1cccc(c1)NCCC2CC2 34a_100000210217_100000694398 [0,1,0,1,0,0|2,0,0]=4 43230 B14R2.9061 Oc1cccc(c1)NCCC2CO2 34a_100000210217_100000732470 [0,1,0,1,0,0|1,0,0]=3 43231 B14R2.9061 Oc1cccc(c1)SCCC2CC2 62a_100000764125_100000211634 [0,1,0,1,0,0|2,0,0]=4 43232 B14R2.9061 Oc1cccc(c1)SCCC2CO2 62a_100000732470_100000211634 [0,1,0,1,0,0|1,0,0]=3 43233 B14R2.9061 Oc1ccnc(c1)SCCC2CO2 62a_100000732470_100000762945 [0,1,0,1,0,0|2,0,0]=4 43234 B14R2.9061 Oc1cncc(c1)SCCC2CO2 62a_100000732470_100000754920 [0,1,0,1,0,0|2,0,0]=4 43235 B14R2.9061 Oc1cncc(c1)SCCC2CO2 62a_100000754920_100000732470 [0,1,0,1,0,0|2,0,0]=4 43236 B14R2.9061 [O-][n+]1cccc(c1)COCC2CO2 34a_100000037817_102125554688 [0,1,0,1,0,0|2,0,0]=4 43237 B14R2.9061 [O-][n+]1cccc(c1)COCC2CO2 7a_100000037817_102125554688 [0,1,0,1,0,0|2,0,0]=4 43238 B14R2.9061 [O-][n+]1cccc(c1)COC[C@@H]2CO2 7a_100000037817_100000745022 [0,1,0,1,0,0|2,0,0]=4 43239 B14R2.9061 [O-][n+]1cccc(c1)OCCC2CO2 34a_100000039713_100000732470 [0,1,0,1,0,0|2,0,0]=4 43240 B14R2.9061 [O-][n+]1cccc(c1)OCCC2CO2 7a_100000039713_100000732470 [0,1,0,1,0,0|2,0,0]=4 43241 B14R2.9061 [O-][n+]1cccc(c1)SCCC2CO2 62a_100000732470_100009815978 [0,1,0,1,0,0|2,0,0]=4 43242 B14R2.9061 [S]c1cccc(c1)SCCC2CC2 62a_100000764125_114929384022 [0,1,0,1,0,0|2,0,0]=4 43243 B14R2.9061 [S]c1cccc(c1)SCCC2CC2 62a_114929384022_100000764125 [0,1,0,1,0,0|2,0,0]=4 43244 B14R2.9061 [S]c1cccc(c1)SCCC2CO2 62a_100000732470_114929384022 [0,1,0,1,0,0|1,0,0]=3 43245 B14R2.9061 [S]c1cccc(c1)SCCC2CO2 62a_114929384022_100000732470 [0,1,0,1,0,0|1,0,0]=3 43246 B14R2.43 CCNC1CC1c2ccc(cc2)Br 2230a_100000755575_100000210202 [0,1,0,1,0,0|2,0,0]=4 43247 B14R2.43 CCNC1CC1c2ccc(cc2)Br 34a_100000755575_100000210202 [0,1,0,1,0,0|2,0,0]=4 43248 B14R2.43 CCN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_100000210202 [0,1,0,1,0,0|2,0,0]=4 43249 B14R2.43 CCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100000210202 [0,1,0,1,0,0|2,0,0]=4 43250 B14R2.43 FCNC1CC1c2ccc(cc2)Br 34a_100000755575_100015361967 [0,1,0,1,0,0|2,0,0]=4 43251 B14R2.43 FCN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_100015361967 [0,1,0,1,0,0|2,0,0]=4 43252 B14R2.68 Brc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000752885 [0,1,0,1,0,0|1,0,1]=4 43253 B14R2.68 Brc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000752885 [0,1,0,1,0,0|0,0,2]=4 43254 B14R2.68 CC1CC=C(CC1)c2ccccc2 271570a_100010240233_100000210277 [0,1,0,1,0,0|1,0,1]=4 43255 B14R2.68 CN1CCC(CC1)c2ccccc2 2230a_100000736203_200000210301 [0,1,0,1,0,0|2,0,0]=4 43256 B14R2.68 CN1CCC(CC1)c2ccccc2 269982a_100000736203_200000210301 [0,1,0,1,0,0|2,0,0]=4 43257 B14R2.68 CN1CCC(CC1)c2ccccc2 34a_100000736203_200000210301 [0,1,0,1,0,0|2,0,0]=4 43258 B14R2.68 Cc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000186775 [0,1,0,1,0,0|1,0,1]=4 43259 B14R2.68 Cc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000186775 [0,1,0,1,0,0|0,0,2]=4 43260 B14R2.68 Clc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000755918 [0,1,0,1,0,0|1,0,1]=4 43261 B14R2.68 Clc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000755918 [0,1,0,1,0,0|0,0,2]=4 43262 B14R2.68 Fc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000211213 [0,1,0,1,0,0|1,0,1]=4 43263 B14R2.68 Fc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000211213 [0,1,0,1,0,0|0,0,2]=4 43264 B14R2.68 Nc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185761 [0,1,0,1,0,0|1,0,1]=4 43265 B14R2.68 Nc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000185761 [0,1,0,1,0,0|0,0,2]=4 43266 B14R2.68 OC1CC=C(CC1)c2ccccc2 271570a_100010254553_100000210277 [0,1,0,1,0,0|1,0,1]=4 43267 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_100000062251_100000185759 [0,1,0,1,0,0|1,0,1]=4 43268 B14R2.68 Oc1ccc(cc1)C2=CCCCC2 271570a_203496583355_100009811967 [0,1,0,1,0,0|1,0,1]=4 43269 B14R2.68 Oc1ccc(cc1)C2=CCCCO2 271570a_100010177797_100000185759 [0,1,0,1,0,0|0,0,2]=4 43270 B14R2.68 Oc1ccc(cc1)C2CCCCC2 271570a_203496583355_100011217854 [0,1,0,1,0,0|1,0,0]=3 43271 B14R2.68 Oc1ccc(cc1)C2CCCCN2 271570a_203496583355_100010004824 [0,1,0,1,0,0|1,0,0]=3 43272 B14R2.68 Oc1ccc(cc1)C2CCNCC2 271570a_203496583355_100000727425 [0,1,0,1,0,0|2,0,0]=4 43273 B14R2.68 Oc1ccc(cc1)C2CCOCC2 271570a_203496583355_100010167726 [0,1,0,1,0,0|2,0,0]=4 43274 B14R2.68 Oc1ccc(cc1)C2CNCCN2 271570a_203496583355_100010163160 [0,1,0,1,0,0|2,0,0]=4 43275 B14R2.68 Oc1ccc(cc1)C2CNCCO2 271570a_203496583355_100000745233 [0,1,0,1,0,0|1,0,0]=3 43276 B14R2.68 Oc1ccc(cc1)N2CCCCC2 271570a_203496583355_100011821443 [0,1,0,1,0,0|2,0,0]=4 43277 B14R2.68 Oc1ccc(cc1)[C@@H]2CCCNC2 271570a_203496583355_106439422950 [0,1,0,1,0,0|2,0,0]=4 43278 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 2230a_100000736203_200025704644 [0,1,0,1,0,0|2,0,0]=4 43279 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 269982a_100000736203_200025704644 [0,1,0,1,0,0|2,0,0]=4 43280 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 34a_100000736203_200025704644 [0,1,0,1,0,0|2,0,0]=4 43281 B14R2.72 Brc1ccc(cc1)CN2CCCC2 2230a_100000188435_100011217064 [0,1,0,1,0,0|2,0,0]=4 43282 B14R2.72 Brc1ccc(cc1)CN2CCCC2 269982a_100000188435_100011217064 [0,1,0,1,0,0|2,0,0]=4 43283 B14R2.72 Brc1ccc(cc1)CN2CCCC2 26a_100000188435_100000185759 [0,1,0,1,0,0|2,0,0]=4 43284 B14R2.72 Brc1ccc(cc1)CN2CCCC2 270004a_100000188435_100000186029 [0,1,0,1,0,0|2,0,0]=4 43285 B14R2.72 Brc1ccc(cc1)NC2CCCC2 2230a_100000210018_100000179811 [0,1,0,1,0,0|2,0,0]=4 43286 B14R2.72 Brc1ccc(cc1)NC2CCCC2 34a_100000210018_100000179811 [0,1,0,1,0,0|2,0,0]=4 43287 B14R2.72 Brc1ccc(cc1)OC2CCCC2 34a_100000185759_100000179811 [0,1,0,1,0,0|2,0,0]=4 43288 B14R2.72 Brc1ccc(cc1)OC2CCCC2 7a_100000185759_100000179811 [0,1,0,1,0,0|2,0,0]=4 43289 B14R2.72 Brc1ccc(cc1)SC2CCCC2 62a_100000752885_100000179811 [0,1,0,1,0,0|2,0,0]=4 43290 B14R2.72 Brc1ccc(cc1)SC2CCCC2 62a_100011217020_100000752885 [0,1,0,1,0,0|2,0,0]=4 43291 B14R2.72 Cc1ccc(cc1)CN2CCCC2 2230a_100000188435_100000210814 [0,1,0,1,0,0|2,0,0]=4 43292 B14R2.72 Cc1ccc(cc1)CN2CCCC2 269982a_100000188435_100000210814 [0,1,0,1,0,0|2,0,0]=4 43293 B14R2.72 Cc1ccc(cc1)CN2CCCC2 26a_100000188435_200020625495 [0,1,0,1,0,0|2,0,0]=4 43294 B14R2.72 Cc1ccc(cc1)CN2CCCC2 270004a_100000188435_100000211033 [0,1,0,1,0,0|2,0,0]=4 43295 B14R2.72 Cc1ccc(cc1)NC2CCCC2 34a_100000124888_100000179811 [0,1,0,1,0,0|2,0,0]=4 43296 B14R2.72 Cc1ccc(cc1)OC2CCCC2 34a_100000210336_100000179811 [0,1,0,1,0,0|2,0,0]=4 43297 B14R2.72 Cc1ccc(cc1)OC2CCCC2 7a_100000210336_100000179811 [0,1,0,1,0,0|2,0,0]=4 43298 B14R2.72 Cc1ccc(cc1)SC2CCCC2 62a_100000186775_100000179811 [0,1,0,1,0,0|2,0,0]=4 43299 B14R2.72 Cc1ccc(cc1)SC2CCCC2 62a_100011217020_100000186775 [0,1,0,1,0,0|2,0,0]=4 43300 B14R2.72 Clc1ccc(cc1)CN2CCCC2 2230a_100000188435_100000694040 [0,1,0,1,0,0|2,0,0]=4 43301 B14R2.72 Clc1ccc(cc1)CN2CCCC2 269982a_100000188435_100000187161 [0,1,0,1,0,0|2,0,0]=4 43302 B14R2.72 Clc1ccc(cc1)CN2CCCC2 270004a_100000188435_100000189385 [0,1,0,1,0,0|2,0,0]=4 43303 B14R2.72 Clc1ccc(cc1)NC2CCCC2 2230a_100000210052_100000179811 [0,1,0,1,0,0|2,0,0]=4 43304 B14R2.72 Clc1ccc(cc1)NC2CCCC2 34a_100000210052_100000179811 [0,1,0,1,0,0|2,0,0]=4 43305 B14R2.72 Clc1ccc(cc1)OC2CCCC2 34a_100000210216_100000179811 [0,1,0,1,0,0|2,0,0]=4 43306 B14R2.72 Clc1ccc(cc1)OC2CCCC2 7a_100000210216_100000179811 [0,1,0,1,0,0|2,0,0]=4 43307 B14R2.72 Clc1ccc(cc1)SC2CCCC2 62a_100000755918_100000179811 [0,1,0,1,0,0|2,0,0]=4 43308 B14R2.72 Clc1ccc(cc1)SC2CCCC2 62a_100011217020_100000755918 [0,1,0,1,0,0|2,0,0]=4 43309 B14R2.72 Fc1ccc(cc1)CN2CCCC2 2230a_100000188435_100000198546 [0,1,0,1,0,0|2,0,0]=4 43310 B14R2.72 Fc1ccc(cc1)CN2CCCC2 269982a_100000188435_100000198546 [0,1,0,1,0,0|2,0,0]=4 43311 B14R2.72 Fc1ccc(cc1)CN2CCCC2 270004a_100000188435_100000210084 [0,1,0,1,0,0|2,0,0]=4 43312 B14R2.72 Fc1ccc(cc1)NC2CCCC2 34a_100000185862_100000179811 [0,1,0,1,0,0|2,0,0]=4 43313 B14R2.72 Fc1ccc(cc1)OC2CCCC2 34a_100000210339_100000179811 [0,1,0,1,0,0|2,0,0]=4 43314 B14R2.72 Fc1ccc(cc1)SC2CCCC2 62a_100000211213_100000179811 [0,1,0,1,0,0|2,0,0]=4 43315 B14R2.72 Fc1ccc(cc1)SC2CCCC2 62a_100011217020_100000211213 [0,1,0,1,0,0|2,0,0]=4 43316 B14R2.72 Ic1ccc(cc1)CN2CCCC2 2230a_100000188435_100000189116 [0,1,0,1,0,0|2,0,0]=4 43317 B14R2.72 Ic1ccc(cc1)CN2CCCC2 269982a_100000188435_100000189116 [0,1,0,1,0,0|2,0,0]=4 43318 B14R2.72 Ic1ccc(cc1)NC2CCCC2 34a_100000185761_100000179811 [0,1,0,1,0,0|2,0,0]=4 43319 B14R2.72 Ic1ccc(cc1)OC2CCCC2 34a_100000212066_100000179811 [0,1,0,1,0,0|2,0,0]=4 43320 B14R2.72 Ic1ccc(cc1)OC2CCCC2 7a_100000212066_100000179811 [0,1,0,1,0,0|2,0,0]=4 43321 B14R2.72 Nc1ccc(cc1)OC2CCCC2 34a_100000185829_100000179811 [0,1,0,1,0,0|2,0,0]=4 43322 B14R2.72 Nc1ccc(cc1)SC2CCCC2 62a_100000185761_100000179811 [0,1,0,1,0,0|2,0,0]=4 43323 B14R2.72 Nc1ccc(cc1)SC2CCCC2 62a_100011217020_100000185761 [0,1,0,1,0,0|2,0,0]=4 43324 B14R2.72 Oc1ccc(cc1)CN2CCCC2 271570a_203496583355_100015186385 [0,1,0,1,0,0|2,0,0]=4 43325 B14R2.72 Oc1ccc(cc1)NC2CCCC2 34a_100000185829_100000179811 [0,1,0,1,0,0|2,0,0]=4 43326 B14R2.72 Oc1ccc(cc1)OC2CCCC2 271570a_203496583355_100011472759 [0,1,0,1,0,0|2,0,0]=4 43327 B14R2.72 Oc1ccc(cc1)SC2CCCC2 62a_100011217020_100000185759 [0,1,0,1,0,0|2,0,0]=4 43328 B14R2.926 CN1CCCC1c2ccc(cc2)Br 2230a_100000766735_200000210301 [0,1,0,1,0,0|2,0,0]=4 43329 B14R2.926 CN1CCCC1c2ccc(cc2)Br 269982a_100000766735_200000210301 [0,1,0,1,0,0|2,0,0]=4 43330 B14R2.926 CN1CCCC1c2ccc(cc2)Br 34a_100000766735_200000210301 [0,1,0,1,0,0|2,0,0]=4 43331 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 2230a_100000736974_200000210301 [0,1,0,1,0,0|2,0,0]=4 43332 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 269982a_100000736974_200000210301 [0,1,0,1,0,0|2,0,0]=4 43333 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 34a_100000736974_200000210301 [0,1,0,1,0,0|2,0,0]=4 43334 B14R2.926 CN1CCCC1c2ccc(cc2)F 2230a_100000243150_200000210301 [0,1,0,1,0,0|2,0,0]=4 43335 B14R2.926 CN1CCCC1c2ccc(cc2)F 269982a_100000243150_200000210301 [0,1,0,1,0,0|2,0,0]=4 43336 B14R2.926 CN1CCCC1c2ccc(cc2)F 34a_100000243150_200000210301 [0,1,0,1,0,0|2,0,0]=4 43337 B14R2.926 Cc1ccc(cc1)C2CCCN2C 2230a_100000736514_200000210301 [0,1,0,1,0,0|2,0,0]=4 43338 B14R2.926 Cc1ccc(cc1)C2CCCN2C 269982a_100000736514_200000210301 [0,1,0,1,0,0|2,0,0]=4 43339 B14R2.926 Cc1ccc(cc1)C2CCCN2C 34a_100000736514_200000210301 [0,1,0,1,0,0|2,0,0]=4 43340 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 2230a_100000736514_200025704644 [0,1,0,1,0,0|2,0,0]=4 43341 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 269982a_100000736514_200025704644 [0,1,0,1,0,0|2,0,0]=4 43342 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 34a_100000736514_200025704644 [0,1,0,1,0,0|2,0,0]=4 43343 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 2230a_100000766735_200025704644 [0,1,0,1,0,0|2,0,0]=4 43344 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 269982a_100000766735_200025704644 [0,1,0,1,0,0|2,0,0]=4 43345 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 34a_100000766735_200025704644 [0,1,0,1,0,0|2,0,0]=4 43346 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 2230a_100000736974_200025704644 [0,1,0,1,0,0|2,0,0]=4 43347 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 269982a_100000736974_200025704644 [0,1,0,1,0,0|2,0,0]=4 43348 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 34a_100000736974_200025704644 [0,1,0,1,0,0|2,0,0]=4 43349 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 2230a_100000243150_200025704644 [0,1,0,1,0,0|2,0,0]=4 43350 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 269982a_100000243150_200025704644 [0,1,0,1,0,0|2,0,0]=4 43351 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 34a_100000243150_200025704644 [0,1,0,1,0,0|2,0,0]=4 43352 B14R2.946 CC1CCN1Cc2ccc(cc2)Br 269982a_100000755817_100011217064 [0,1,0,1,0,0|2,0,0]=4 43353 B14R2.946 CC1CCN1Cc2ccc(cc2)Br 26a_100000755817_100000185759 [0,1,0,1,0,0|2,0,0]=4 43354 B14R2.946 CC1CCN1Cc2ccc(cc2)Br 34a_100000755817_100000189115 [0,1,0,1,0,0|2,0,0]=4 43355 B14R2.946 CC1CCN1Cc2ccc(cc2)Cl 269982a_100000755817_100000187161 [0,1,0,1,0,0|2,0,0]=4 43356 B14R2.946 CC1CCN1Cc2ccc(cc2)Cl 34a_100000755817_100000694040 [0,1,0,1,0,0|2,0,0]=4 43357 B14R2.946 CC1CCN1Cc2ccc(cc2)F 269982a_100000755817_100000198546 [0,1,0,1,0,0|2,0,0]=4 43358 B14R2.946 CC1CCN1Cc2ccc(cc2)F 34a_100000755817_100000198546 [0,1,0,1,0,0|2,0,0]=4 43359 B14R2.946 CC1CCN1Cc2ccc(cc2)I 269982a_100000755817_100000189116 [0,1,0,1,0,0|2,0,0]=4 43360 B14R2.946 CC1CCN1Cc2ccc(cc2)I 34a_100000755817_100000189116 [0,1,0,1,0,0|2,0,0]=4 43361 B14R2.946 Cc1ccc(cc1)CN2CCC2C 269982a_100000755817_100000210814 [0,1,0,1,0,0|2,0,0]=4 43362 B14R2.946 Cc1ccc(cc1)CN2CCC2C 26a_100000755817_200020625495 [0,1,0,1,0,0|2,0,0]=4 43363 B14R2.946 Cc1ccc(cc1)CN2CCC2C 34a_100000755817_100000210814 [0,1,0,1,0,0|2,0,0]=4 43364 B14R2.951 Brc1ccc(cc1)CCNC2CC2 34a_100000212008_100011740612 [0,1,0,1,0,0|2,0,0]=4 43365 B14R2.951 Brc1ccc(cc1)CCNC2CC2 34a_100000755846_100000211595 [0,1,0,1,0,0|2,0,0]=4 43366 B14R2.951 Brc1ccc(cc1)CCOC2CC2 34a_100000766406_100000211595 [0,1,0,1,0,0|2,0,0]=4 43367 B14R2.951 Brc1ccc(cc1)CCSC2CC2 62a_100011740612_100000211595 [0,1,0,1,0,0|2,0,0]=4 43368 B14R2.951 Brc1ccc(cc1)CNCC2CC2 207a_100000735609_100000186029 [0,1,0,1,0,0|2,0,0]=4 43369 B14R2.951 Brc1ccc(cc1)CNCC2CC2 2230a_100000174875_100000742324 [0,1,0,1,0,0|2,0,0]=4 43370 B14R2.951 Brc1ccc(cc1)CNCC2CC2 2230a_100000735609_100011217064 [0,1,0,1,0,0|2,0,0]=4 43371 B14R2.951 Brc1ccc(cc1)CNCC2CC2 269862a_100000174875_100000741477 [0,1,0,1,0,0|2,0,0]=4 43372 B14R2.951 Brc1ccc(cc1)CNCC2CC2 270004a_100000735609_100000186029 [0,1,0,1,0,0|2,0,0]=4 43373 B14R2.951 Brc1ccc(cc1)CNCC2CC2 34a_100000174875_100000742324 [0,1,0,1,0,0|2,0,0]=4 43374 B14R2.951 Brc1ccc(cc1)CNCC2CC2 34a_100000735609_100000189115 [0,1,0,1,0,0|2,0,0]=4 43375 B14R2.951 Brc1ccc(cc1)CNCC2CO2 2230a_100000174875_100011216344 [0,1,0,1,0,0|1,0,0]=3 43376 B14R2.951 Brc1ccc(cc1)CNCC2CO2 34a_100000174875_102125554688 [0,1,0,1,0,0|1,0,0]=3 43377 B14R2.951 Brc1ccc(cc1)COCC2CC2 34a_100000211283_100000189115 [0,1,0,1,0,0|2,0,0]=4 43378 B14R2.951 Brc1ccc(cc1)COCC2CC2 34a_100000695286_100000742324 [0,1,0,1,0,0|2,0,0]=4 43379 B14R2.951 Brc1ccc(cc1)COCC2CO2 34a_100000695286_102125554688 [0,1,0,1,0,0|1,0,0]=3 43380 B14R2.951 Brc1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000189115 [0,1,0,1,0,0|1,0,0]=3 43381 B14R2.951 Brc1ccc(cc1)CSCC2CC2 62a_100000189115_100000742324 [0,1,0,1,0,0|2,0,0]=4 43382 B14R2.951 Brc1ccc(cc1)CSCC2CC2 62a_100000756562_100000189115 [0,1,0,1,0,0|2,0,0]=4 43383 B14R2.951 Brc1ccc(cc1)CSCC2CO2 62a_100000189115_102125554688 [0,1,0,1,0,0|1,0,0]=3 43384 B14R2.951 Brc1ccc(cc1)CSCC2CO2 62a_102125554688_100000189115 [0,1,0,1,0,0|1,0,0]=3 43385 B14R2.951 Brc1ccc(cc1)CSCC2CS2 62a_100000031435_100000189115 [0,1,0,1,0,0|1,1,0]=4 43386 B14R2.951 Brc1ccc(cc1)CSCC2CS2 62a_100000189115_100000031435 [0,1,0,1,0,0|1,1,0]=4 43387 B14R2.951 Brc1ccc(cc1)CSC[C@@H]2CO2 62a_100000189115_100000745022 [0,1,0,1,0,0|1,0,0]=3 43388 B14R2.951 Brc1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100000189115 [0,1,0,1,0,0|1,0,0]=3 43389 B14R2.951 Brc1ccc(cc1)NCCC2CC2 2230a_100000210018_100000694398 [0,1,0,1,0,0|2,0,0]=4 43390 B14R2.951 Brc1ccc(cc1)NCCC2CC2 34a_100000210018_100000694398 [0,1,0,1,0,0|2,0,0]=4 43391 B14R2.951 Brc1ccc(cc1)NCCC2CO2 2230a_100000210018_100000732470 [0,1,0,1,0,0|1,0,0]=3 43392 B14R2.951 Brc1ccc(cc1)NCCC2CO2 34a_100000210018_100000732470 [0,1,0,1,0,0|1,0,0]=3 43393 B14R2.951 Brc1ccc(cc1)OCCC2CC2 34a_100000185759_100000694398 [0,1,0,1,0,0|2,0,0]=4 43394 B14R2.951 Brc1ccc(cc1)OCCC2CC2 7a_100000185759_100000764125 [0,1,0,1,0,0|2,0,0]=4 43395 B14R2.951 Brc1ccc(cc1)OCCC2CO2 34a_100000185759_100000732470 [0,1,0,1,0,0|1,0,0]=3 43396 B14R2.951 Brc1ccc(cc1)OCCC2CO2 7a_100000185759_100000732470 [0,1,0,1,0,0|1,0,0]=3 43397 B14R2.951 Brc1ccc(cc1)SCCC2CC2 62a_100000752885_100000764125 [0,1,0,1,0,0|2,0,0]=4 43398 B14R2.951 Brc1ccc(cc1)SCCC2CC2 62a_100000764125_100000752885 [0,1,0,1,0,0|2,0,0]=4 43399 B14R2.951 Brc1ccc(cc1)SCCC2CO2 62a_100000732470_100000752885 [0,1,0,1,0,0|1,0,0]=3 43400 B14R2.951 Brc1ccc(cc1)SCCC2CO2 62a_100000752885_100000732470 [0,1,0,1,0,0|1,0,0]=3 43401 B14R2.951 Brc1ccc(cn1)CNCC2CO2 2230a_100009817727_100011216344 [0,1,0,1,0,0|2,0,0]=4 43402 B14R2.951 Brc1ccc(cn1)CNCC2CO2 34a_100009817727_102125554688 [0,1,0,1,0,0|2,0,0]=4 43403 B14R2.951 Brc1ccc(cn1)COCC2CO2 34a_100009816760_102125554688 [0,1,0,1,0,0|2,0,0]=4 43404 B14R2.951 Brc1ccc(cn1)COCC2CO2 7a_100009816760_102125554688 [0,1,0,1,0,0|2,0,0]=4 43405 B14R2.951 Brc1ccc(cn1)COC[C@@H]2CO2 34a_100000757423_100009831999 [0,1,0,1,0,0|2,0,0]=4 43406 B14R2.951 Brc1ccc(cn1)COC[C@@H]2CO2 7a_100009816760_100000745022 [0,1,0,1,0,0|2,0,0]=4 43407 B14R2.951 Brc1ccc(cn1)CSCC2CO2 62a_100009831999_102125554688 [0,1,0,1,0,0|2,0,0]=4 43408 B14R2.951 Brc1ccc(cn1)CSCC2CO2 62a_102125554688_100009831999 [0,1,0,1,0,0|2,0,0]=4 43409 B14R2.951 Brc1ccc(cn1)CSC[C@@H]2CO2 62a_100000745022_100009831999 [0,1,0,1,0,0|2,0,0]=4 43410 B14R2.951 Brc1ccc(cn1)CSC[C@@H]2CO2 62a_100009831999_100000745022 [0,1,0,1,0,0|2,0,0]=4 43411 B14R2.951 Brc1ccc(cn1)OCCC2CO2 34a_100000685995_100000732470 [0,1,0,1,0,0|2,0,0]=4 43412 B14R2.951 Brc1ccc(cn1)OCCC2CO2 7a_100000685995_100000732470 [0,1,0,1,0,0|2,0,0]=4 43413 B14R2.951 Brc1ccc(cn1)SCCC2CO2 62a_100000732470_100009814638 [0,1,0,1,0,0|2,0,0]=4 43414 B14R2.951 Brc1ccc(cn1)SCCC2CO2 62a_100009814638_100000732470 [0,1,0,1,0,0|2,0,0]=4 43415 B14R2.951 Brc1ccc(nc1)CNCC2CO2 34a_100015188789_102125554688 [0,1,0,1,0,0|2,0,0]=4 43416 B14R2.951 Brc1ccc(nc1)COCC2CO2 34a_100000754261_102125554688 [0,1,0,1,0,0|2,0,0]=4 43417 B14R2.951 Brc1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000702658 [0,1,0,1,0,0|2,0,0]=4 43418 B14R2.951 Brc1ccc(nc1)CSCC2CO2 62a_100000702658_102125554688 [0,1,0,1,0,0|2,0,0]=4 43419 B14R2.951 Brc1ccc(nc1)CSCC2CO2 62a_102125554688_100000702658 [0,1,0,1,0,0|2,0,0]=4 43420 B14R2.951 Brc1ccc(nc1)CSC[C@@H]2CO2 62a_100000702658_100000745022 [0,1,0,1,0,0|2,0,0]=4 43421 B14R2.951 Brc1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000702658 [0,1,0,1,0,0|2,0,0]=4 43422 B14R2.951 Brc1ccc(nc1)SCCC2CO2 62a_100000686858_100000732470 [0,1,0,1,0,0|2,0,0]=4 43423 B14R2.951 Brc1ccc(nc1)SCCC2CO2 62a_100000732470_100000686858 [0,1,0,1,0,0|2,0,0]=4 43424 B14R2.951 C[n+]1ccc(cc1)COCC2CO2 34a_100009831711_102125554688 [0,1,0,1,0,0|2,0,0]=4 43425 B14R2.951 Cc1ccc(cc1)CCNC2CC2 34a_100000212008_100011713686 [0,1,0,1,0,0|2,0,0]=4 43426 B14R2.951 Cc1ccc(cc1)CCNC2CC2 34a_100000705350_100000211595 [0,1,0,1,0,0|2,0,0]=4 43427 B14R2.951 Cc1ccc(cc1)CCOC2CC2 34a_100000756670_100000211595 [0,1,0,1,0,0|2,0,0]=4 43428 B14R2.951 Cc1ccc(cc1)CCSC2CC2 62a_100011713686_100000211595 [0,1,0,1,0,0|2,0,0]=4 43429 B14R2.951 Cc1ccc(cc1)CNCC2CC2 207a_100000735609_100000211033 [0,1,0,1,0,0|2,0,0]=4 43430 B14R2.951 Cc1ccc(cc1)CNCC2CC2 2230a_100000174908_100000742324 [0,1,0,1,0,0|2,0,0]=4 43431 B14R2.951 Cc1ccc(cc1)CNCC2CC2 2230a_100000735609_100000210814 [0,1,0,1,0,0|2,0,0]=4 43432 B14R2.951 Cc1ccc(cc1)CNCC2CC2 269862a_100000174908_100000741477 [0,1,0,1,0,0|2,0,0]=4 43433 B14R2.951 Cc1ccc(cc1)CNCC2CC2 270004a_100000735609_100000211033 [0,1,0,1,0,0|2,0,0]=4 43434 B14R2.951 Cc1ccc(cc1)CNCC2CC2 34a_100000174908_100000742324 [0,1,0,1,0,0|2,0,0]=4 43435 B14R2.951 Cc1ccc(cc1)CNCC2CC2 34a_100000735609_100000210814 [0,1,0,1,0,0|2,0,0]=4 43436 B14R2.951 Cc1ccc(cc1)CNCC2CO2 2230a_100000174908_100011216344 [0,1,0,1,0,0|1,0,0]=3 43437 B14R2.951 Cc1ccc(cc1)CNCC2CO2 34a_100000174908_102125554688 [0,1,0,1,0,0|1,0,0]=3 43438 B14R2.951 Cc1ccc(cc1)COCC2CC2 34a_100000211283_100000210814 [0,1,0,1,0,0|2,0,0]=4 43439 B14R2.951 Cc1ccc(cc1)COCC2CC2 34a_100011215236_100000742324 [0,1,0,1,0,0|2,0,0]=4 43440 B14R2.951 Cc1ccc(cc1)COCC2CC2 7a_100011215236_100000742324 [0,1,0,1,0,0|2,0,0]=4 43441 B14R2.951 Cc1ccc(cc1)COCC2CO2 34a_100011215236_102125554688 [0,1,0,1,0,0|1,0,0]=3 43442 B14R2.951 Cc1ccc(cc1)COCC2CO2 7a_100011215236_102125554688 [0,1,0,1,0,0|1,0,0]=3 43443 B14R2.951 Cc1ccc(cc1)COCC2CS2 7a_100011215236_100000031435 [0,1,0,1,0,0|1,1,0]=4 43444 B14R2.951 Cc1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000210814 [0,1,0,1,0,0|1,0,0]=3 43445 B14R2.951 Cc1ccc(cc1)COC[C@@H]2CO2 7a_100011215236_100000745022 [0,1,0,1,0,0|1,0,0]=3 43446 B14R2.951 Cc1ccc(cc1)CSCC2CC2 62a_100000210814_100000742324 [0,1,0,1,0,0|2,0,0]=4 43447 B14R2.951 Cc1ccc(cc1)CSCC2CC2 62a_100000756562_100000210814 [0,1,0,1,0,0|2,0,0]=4 43448 B14R2.951 Cc1ccc(cc1)CSCC2CO2 62a_100000210814_102125554688 [0,1,0,1,0,0|1,0,0]=3 43449 B14R2.951 Cc1ccc(cc1)CSCC2CO2 62a_102125554688_100000210814 [0,1,0,1,0,0|1,0,0]=3 43450 B14R2.951 Cc1ccc(cc1)CSCC2CS2 62a_100000031435_100000210814 [0,1,0,1,0,0|1,1,0]=4 43451 B14R2.951 Cc1ccc(cc1)CSCC2CS2 62a_100000210814_100000031435 [0,1,0,1,0,0|1,1,0]=4 43452 B14R2.951 Cc1ccc(cc1)CSC[C@@H]2CO2 62a_100000210814_100000745022 [0,1,0,1,0,0|1,0,0]=3 43453 B14R2.951 Cc1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100000210814 [0,1,0,1,0,0|1,0,0]=3 43454 B14R2.951 Cc1ccc(cc1)NCCC2CC2 34a_100000124888_100000694398 [0,1,0,1,0,0|2,0,0]=4 43455 B14R2.951 Cc1ccc(cc1)NCCC2CO2 34a_100000124888_100000732470 [0,1,0,1,0,0|1,0,0]=3 43456 B14R2.951 Cc1ccc(cc1)OCCC2CC2 34a_100000210336_100000694398 [0,1,0,1,0,0|2,0,0]=4 43457 B14R2.951 Cc1ccc(cc1)OCCC2CC2 7a_100000210336_100000764125 [0,1,0,1,0,0|2,0,0]=4 43458 B14R2.951 Cc1ccc(cc1)OCCC2CO2 34a_100000210336_100000732470 [0,1,0,1,0,0|1,0,0]=3 43459 B14R2.951 Cc1ccc(cc1)OCCC2CO2 7a_100000210336_100000732470 [0,1,0,1,0,0|1,0,0]=3 43460 B14R2.951 Cc1ccc(cc1)SCCC2CC2 62a_100000186775_100000764125 [0,1,0,1,0,0|2,0,0]=4 43461 B14R2.951 Cc1ccc(cc1)SCCC2CC2 62a_100000764125_100000186775 [0,1,0,1,0,0|2,0,0]=4 43462 B14R2.951 Cc1ccc(cc1)SCCC2CO2 62a_100000186775_100000732470 [0,1,0,1,0,0|1,0,0]=3 43463 B14R2.951 Cc1ccc(cc1)SCCC2CO2 62a_100000732470_100000186775 [0,1,0,1,0,0|1,0,0]=3 43464 B14R2.951 Cc1ccc(cn1)CNCC2CO2 34a_100000740942_102125554688 [0,1,0,1,0,0|2,0,0]=4 43465 B14R2.951 Cc1ccc(cn1)COCC2CO2 34a_100011248133_102125554688 [0,1,0,1,0,0|2,0,0]=4 43466 B14R2.951 Cc1ccc(cn1)COC[C@@H]2CO2 34a_100000757423_100016987292 [0,1,0,1,0,0|2,0,0]=4 43467 B14R2.951 Cc1ccc(cn1)CSCC2CO2 62a_100016987292_102125554688 [0,1,0,1,0,0|2,0,0]=4 43468 B14R2.951 Cc1ccc(cn1)CSCC2CO2 62a_102125554688_100016987292 [0,1,0,1,0,0|2,0,0]=4 43469 B14R2.951 Cc1ccc(cn1)CSC[C@@H]2CO2 62a_100000745022_100016987292 [0,1,0,1,0,0|2,0,0]=4 43470 B14R2.951 Cc1ccc(cn1)CSC[C@@H]2CO2 62a_100016987292_100000745022 [0,1,0,1,0,0|2,0,0]=4 43471 B14R2.951 Cc1ccc(cn1)OCCC2CO2 34a_100000745506_100000732470 [0,1,0,1,0,0|2,0,0]=4 43472 B14R2.951 Cc1ccc(cn1)OCCC2CO2 7a_100000745506_100000732470 [0,1,0,1,0,0|2,0,0]=4 43473 B14R2.951 Cc1ccc(cn1)SCCC2CO2 62a_100000732470_100000751577 [0,1,0,1,0,0|2,0,0]=4 43474 B14R2.951 Cc1ccc(cn1)SCCC2CO2 62a_100000751577_100000732470 [0,1,0,1,0,0|2,0,0]=4 43475 B14R2.951 Cc1ccc(nc1)CNCC2CO2 34a_100015187455_102125554688 [0,1,0,1,0,0|2,0,0]=4 43476 B14R2.951 Cc1ccc(nc1)COCC2CO2 34a_100012001401_102125554688 [0,1,0,1,0,0|2,0,0]=4 43477 B14R2.951 Cc1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000691093 [0,1,0,1,0,0|2,0,0]=4 43478 B14R2.951 Cc1ccc(nc1)CSCC2CO2 62a_100000691093_102125554688 [0,1,0,1,0,0|2,0,0]=4 43479 B14R2.951 Cc1ccc(nc1)CSCC2CO2 62a_102125554688_100000691093 [0,1,0,1,0,0|2,0,0]=4 43480 B14R2.951 Cc1ccc(nc1)CSC[C@@H]2CO2 62a_100000691093_100000745022 [0,1,0,1,0,0|2,0,0]=4 43481 B14R2.951 Cc1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000691093 [0,1,0,1,0,0|2,0,0]=4 43482 B14R2.951 Cc1ccc(nc1)OCCC2CO2 34a_100000759353_100000732470 [0,1,0,1,0,0|2,0,0]=4 43483 B14R2.951 Cc1ccc(nc1)SCCC2CO2 62a_100000732470_100000754016 [0,1,0,1,0,0|2,0,0]=4 43484 B14R2.951 Cc1ccc(nc1)SCCC2CO2 62a_100011192072_100000732470 [0,1,0,1,0,0|2,0,0]=4 43485 B14R2.951 Clc1ccc(cc1)CCNC2CC2 34a_100000185265_100000211595 [0,1,0,1,0,0|2,0,0]=4 43486 B14R2.951 Clc1ccc(cc1)CCNC2CC2 34a_100000212008_100011713675 [0,1,0,1,0,0|2,0,0]=4 43487 B14R2.951 Clc1ccc(cc1)CCOC2CC2 34a_100011219627_100000211595 [0,1,0,1,0,0|2,0,0]=4 43488 B14R2.951 Clc1ccc(cc1)CCSC2CC2 62a_100011713675_100000211595 [0,1,0,1,0,0|2,0,0]=4 43489 B14R2.951 Clc1ccc(cc1)CNCC2CC2 207a_100000735609_100000189385 [0,1,0,1,0,0|2,0,0]=4 43490 B14R2.951 Clc1ccc(cc1)CNCC2CC2 2230a_100000174871_100000742324 [0,1,0,1,0,0|2,0,0]=4 43491 B14R2.951 Clc1ccc(cc1)CNCC2CC2 2230a_100000735609_100000694040 [0,1,0,1,0,0|2,0,0]=4 43492 B14R2.951 Clc1ccc(cc1)CNCC2CC2 269862a_100000174871_100000741477 [0,1,0,1,0,0|2,0,0]=4 43493 B14R2.951 Clc1ccc(cc1)CNCC2CC2 270004a_100000735609_100000189385 [0,1,0,1,0,0|2,0,0]=4 43494 B14R2.951 Clc1ccc(cc1)CNCC2CC2 34a_100000174871_100000742324 [0,1,0,1,0,0|2,0,0]=4 43495 B14R2.951 Clc1ccc(cc1)CNCC2CC2 34a_100000735609_100000694040 [0,1,0,1,0,0|2,0,0]=4 43496 B14R2.951 Clc1ccc(cc1)CNCC2CO2 2230a_100000174871_100011216344 [0,1,0,1,0,0|1,0,0]=3 43497 B14R2.951 Clc1ccc(cc1)CNCC2CO2 34a_100000174871_102125554688 [0,1,0,1,0,0|1,0,0]=3 43498 B14R2.951 Clc1ccc(cc1)COCC2CC2 34a_100000211118_100000742324 [0,1,0,1,0,0|2,0,0]=4 43499 B14R2.951 Clc1ccc(cc1)COCC2CC2 34a_100000211283_100000694040 [0,1,0,1,0,0|2,0,0]=4 43500 B14R2.951 Clc1ccc(cc1)COCC2CC2 7a_100000211118_100000742324 [0,1,0,1,0,0|2,0,0]=4 43501 B14R2.951 Clc1ccc(cc1)COCC2CO2 34a_100000211118_102125554688 [0,1,0,1,0,0|1,0,0]=3 43502 B14R2.951 Clc1ccc(cc1)COCC2CO2 7a_100000211118_102125554688 [0,1,0,1,0,0|1,0,0]=3 43503 B14R2.951 Clc1ccc(cc1)COCC2CS2 7a_100000211118_100000031435 [0,1,0,1,0,0|1,1,0]=4 43504 B14R2.951 Clc1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000694040 [0,1,0,1,0,0|1,0,0]=3 43505 B14R2.951 Clc1ccc(cc1)COC[C@@H]2CO2 7a_100000211118_100000745022 [0,1,0,1,0,0|1,0,0]=3 43506 B14R2.951 Clc1ccc(cc1)CSCC2CC2 62a_100000187161_100000742324 [0,1,0,1,0,0|2,0,0]=4 43507 B14R2.951 Clc1ccc(cc1)CSCC2CC2 62a_100000756562_100000187161 [0,1,0,1,0,0|2,0,0]=4 43508 B14R2.951 Clc1ccc(cc1)CSCC2CO2 62a_100000187161_102125554688 [0,1,0,1,0,0|1,0,0]=3 43509 B14R2.951 Clc1ccc(cc1)CSCC2CO2 62a_102125554688_100000187161 [0,1,0,1,0,0|1,0,0]=3 43510 B14R2.951 Clc1ccc(cc1)CSCC2CS2 62a_100000031435_100000187161 [0,1,0,1,0,0|1,1,0]=4 43511 B14R2.951 Clc1ccc(cc1)CSCC2CS2 62a_100000187161_100000031435 [0,1,0,1,0,0|1,1,0]=4 43512 B14R2.951 Clc1ccc(cc1)CSC[C@@H]2CO2 62a_100000187161_100000745022 [0,1,0,1,0,0|1,0,0]=3 43513 B14R2.951 Clc1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100000187161 [0,1,0,1,0,0|1,0,0]=3 43514 B14R2.951 Clc1ccc(cc1)NCCC2CC2 2230a_100000210052_100000694398 [0,1,0,1,0,0|2,0,0]=4 43515 B14R2.951 Clc1ccc(cc1)NCCC2CC2 34a_100000210052_100000694398 [0,1,0,1,0,0|2,0,0]=4 43516 B14R2.951 Clc1ccc(cc1)NCCC2CO2 2230a_100000210052_100000732470 [0,1,0,1,0,0|1,0,0]=3 43517 B14R2.951 Clc1ccc(cc1)NCCC2CO2 34a_100000210052_100000732470 [0,1,0,1,0,0|1,0,0]=3 43518 B14R2.951 Clc1ccc(cc1)OCCC2CC2 34a_100000210216_100000694398 [0,1,0,1,0,0|2,0,0]=4 43519 B14R2.951 Clc1ccc(cc1)OCCC2CC2 7a_100000210216_100000764125 [0,1,0,1,0,0|2,0,0]=4 43520 B14R2.951 Clc1ccc(cc1)OCCC2CO2 34a_100000210216_100000732470 [0,1,0,1,0,0|1,0,0]=3 43521 B14R2.951 Clc1ccc(cc1)OCCC2CO2 7a_100000210216_100000732470 [0,1,0,1,0,0|1,0,0]=3 43522 B14R2.951 Clc1ccc(cc1)SCCC2CC2 62a_100000755918_100000764125 [0,1,0,1,0,0|2,0,0]=4 43523 B14R2.951 Clc1ccc(cc1)SCCC2CC2 62a_100000764125_100000755918 [0,1,0,1,0,0|2,0,0]=4 43524 B14R2.951 Clc1ccc(cc1)SCCC2CO2 62a_100000732470_100000755918 [0,1,0,1,0,0|1,0,0]=3 43525 B14R2.951 Clc1ccc(cc1)SCCC2CO2 62a_100000755918_100000732470 [0,1,0,1,0,0|1,0,0]=3 43526 B14R2.951 Clc1ccc(cn1)CNCC2CO2 2230a_100000735879_100011216344 [0,1,0,1,0,0|2,0,0]=4 43527 B14R2.951 Clc1ccc(cn1)CNCC2CO2 34a_100000735879_102125554688 [0,1,0,1,0,0|2,0,0]=4 43528 B14R2.951 Clc1ccc(cn1)COCC2CO2 34a_100000755211_102125554688 [0,1,0,1,0,0|2,0,0]=4 43529 B14R2.951 Clc1ccc(cn1)COCC2CO2 7a_100000755211_102125554688 [0,1,0,1,0,0|2,0,0]=4 43530 B14R2.951 Clc1ccc(cn1)COC[C@@H]2CO2 34a_100000757423_100000735431 [0,1,0,1,0,0|2,0,0]=4 43531 B14R2.951 Clc1ccc(cn1)COC[C@@H]2CO2 7a_100000755211_100000745022 [0,1,0,1,0,0|2,0,0]=4 43532 B14R2.951 Clc1ccc(cn1)CSCC2CO2 62a_100000735431_102125554688 [0,1,0,1,0,0|2,0,0]=4 43533 B14R2.951 Clc1ccc(cn1)CSCC2CO2 62a_102125554688_100000735431 [0,1,0,1,0,0|2,0,0]=4 43534 B14R2.951 Clc1ccc(cn1)CSC[C@@H]2CO2 62a_100000735431_100000745022 [0,1,0,1,0,0|2,0,0]=4 43535 B14R2.951 Clc1ccc(cn1)CSC[C@@H]2CO2 62a_100000745022_100000735431 [0,1,0,1,0,0|2,0,0]=4 43536 B14R2.951 Clc1ccc(cn1)OCCC2CO2 34a_100000744096_100000732470 [0,1,0,1,0,0|2,0,0]=4 43537 B14R2.951 Clc1ccc(cn1)OCCC2CO2 7a_100000744096_100000732470 [0,1,0,1,0,0|2,0,0]=4 43538 B14R2.951 Clc1ccc(cn1)SCCC2CO2 62a_100000034144_100000732470 [0,1,0,1,0,0|2,0,0]=4 43539 B14R2.951 Clc1ccc(cn1)SCCC2CO2 62a_100000732470_100000034144 [0,1,0,1,0,0|2,0,0]=4 43540 B14R2.951 Clc1ccc(nc1)CNCC2CO2 34a_100000697193_102125554688 [0,1,0,1,0,0|2,0,0]=4 43541 B14R2.951 Clc1ccc(nc1)COCC2CO2 34a_100000703999_102125554688 [0,1,0,1,0,0|2,0,0]=4 43542 B14R2.951 Clc1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100012066911 [0,1,0,1,0,0|2,0,0]=4 43543 B14R2.951 Clc1ccc(nc1)CSCC2CO2 62a_100012066911_102125554688 [0,1,0,1,0,0|2,0,0]=4 43544 B14R2.951 Clc1ccc(nc1)CSCC2CO2 62a_102125554688_100000697101 [0,1,0,1,0,0|2,0,0]=4 43545 B14R2.951 Clc1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000697101 [0,1,0,1,0,0|2,0,0]=4 43546 B14R2.951 Clc1ccc(nc1)CSC[C@@H]2CO2 62a_100012066911_100000745022 [0,1,0,1,0,0|2,0,0]=4 43547 B14R2.951 Clc1ccc(nc1)OCCC2CO2 34a_100011215309_100000732470 [0,1,0,1,0,0|2,0,0]=4 43548 B14R2.951 Clc1ccc(nc1)SCCC2CO2 62a_100000732470_100011356976 [0,1,0,1,0,0|2,0,0]=4 43549 B14R2.951 Clc1ccc(nc1)SCCC2CO2 62a_100011356976_100000732470 [0,1,0,1,0,0|2,0,0]=4 43550 B14R2.951 Fc1ccc(cc1)CCNC2CC2 34a_100000199005_100000211595 [0,1,0,1,0,0|2,0,0]=4 43551 B14R2.951 Fc1ccc(cc1)CCNC2CC2 34a_100000212008_100011217392 [0,1,0,1,0,0|2,0,0]=4 43552 B14R2.951 Fc1ccc(cc1)CCOC2CC2 34a_100000754732_100000211595 [0,1,0,1,0,0|2,0,0]=4 43553 B14R2.951 Fc1ccc(cc1)CCSC2CC2 62a_100011217392_100000211595 [0,1,0,1,0,0|2,0,0]=4 43554 B14R2.951 Fc1ccc(cc1)CNCC2CC2 207a_100000735609_100000210084 [0,1,0,1,0,0|2,0,0]=4 43555 B14R2.951 Fc1ccc(cc1)CNCC2CC2 2230a_100000174882_100000742324 [0,1,0,1,0,0|2,0,0]=4 43556 B14R2.951 Fc1ccc(cc1)CNCC2CC2 2230a_100000735609_100000198546 [0,1,0,1,0,0|2,0,0]=4 43557 B14R2.951 Fc1ccc(cc1)CNCC2CC2 269862a_100000174882_100000741477 [0,1,0,1,0,0|2,0,0]=4 43558 B14R2.951 Fc1ccc(cc1)CNCC2CC2 270004a_100000735609_100000210084 [0,1,0,1,0,0|2,0,0]=4 43559 B14R2.951 Fc1ccc(cc1)CNCC2CC2 34a_100000174882_100000742324 [0,1,0,1,0,0|2,0,0]=4 43560 B14R2.951 Fc1ccc(cc1)CNCC2CC2 34a_100000735609_100000198546 [0,1,0,1,0,0|2,0,0]=4 43561 B14R2.951 Fc1ccc(cc1)CNCC2CO2 2230a_100000174882_100011216344 [0,1,0,1,0,0|1,0,0]=3 43562 B14R2.951 Fc1ccc(cc1)CNCC2CO2 34a_100000174882_102125554688 [0,1,0,1,0,0|1,0,0]=3 43563 B14R2.951 Fc1ccc(cc1)COCC2CC2 34a_100000210977_100000742324 [0,1,0,1,0,0|2,0,0]=4 43564 B14R2.951 Fc1ccc(cc1)COCC2CC2 34a_100000211283_100000198546 [0,1,0,1,0,0|2,0,0]=4 43565 B14R2.951 Fc1ccc(cc1)COCC2CC2 7a_100000210977_100000742324 [0,1,0,1,0,0|2,0,0]=4 43566 B14R2.951 Fc1ccc(cc1)COCC2CO2 34a_100000210977_102125554688 [0,1,0,1,0,0|1,0,0]=3 43567 B14R2.951 Fc1ccc(cc1)COCC2CO2 7a_100000210977_102125554688 [0,1,0,1,0,0|1,0,0]=3 43568 B14R2.951 Fc1ccc(cc1)COCC2CS2 7a_100000210977_100000031435 [0,1,0,1,0,0|1,1,0]=4 43569 B14R2.951 Fc1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000198546 [0,1,0,1,0,0|1,0,0]=3 43570 B14R2.951 Fc1ccc(cc1)COC[C@@H]2CO2 7a_100000210977_100000745022 [0,1,0,1,0,0|1,0,0]=3 43571 B14R2.951 Fc1ccc(cc1)CSCC2CC2 62a_100000198546_100000742324 [0,1,0,1,0,0|2,0,0]=4 43572 B14R2.951 Fc1ccc(cc1)CSCC2CC2 62a_100000756562_100000187164 [0,1,0,1,0,0|2,0,0]=4 43573 B14R2.951 Fc1ccc(cc1)CSCC2CO2 62a_100000198546_102125554688 [0,1,0,1,0,0|1,0,0]=3 43574 B14R2.951 Fc1ccc(cc1)CSCC2CO2 62a_102125554688_100000187164 [0,1,0,1,0,0|1,0,0]=3 43575 B14R2.951 Fc1ccc(cc1)CSCC2CS2 62a_100000031435_100000187164 [0,1,0,1,0,0|1,1,0]=4 43576 B14R2.951 Fc1ccc(cc1)CSCC2CS2 62a_100000198546_100000031435 [0,1,0,1,0,0|1,1,0]=4 43577 B14R2.951 Fc1ccc(cc1)CSC[C@@H]2CO2 62a_100000198546_100000745022 [0,1,0,1,0,0|1,0,0]=3 43578 B14R2.951 Fc1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100000187164 [0,1,0,1,0,0|1,0,0]=3 43579 B14R2.951 Fc1ccc(cc1)NCCC2CC2 34a_100000185862_100000694398 [0,1,0,1,0,0|2,0,0]=4 43580 B14R2.951 Fc1ccc(cc1)NCCC2CO2 34a_100000185862_100000732470 [0,1,0,1,0,0|1,0,0]=3 43581 B14R2.951 Fc1ccc(cc1)OCCC2CC2 34a_100000210339_100000694398 [0,1,0,1,0,0|2,0,0]=4 43582 B14R2.951 Fc1ccc(cc1)OCCC2CO2 34a_100000210339_100000732470 [0,1,0,1,0,0|1,0,0]=3 43583 B14R2.951 Fc1ccc(cc1)SCCC2CC2 62a_100000211213_100000764125 [0,1,0,1,0,0|2,0,0]=4 43584 B14R2.951 Fc1ccc(cc1)SCCC2CC2 62a_100000764125_100000211213 [0,1,0,1,0,0|2,0,0]=4 43585 B14R2.951 Fc1ccc(cc1)SCCC2CO2 62a_100000211213_100000732470 [0,1,0,1,0,0|1,0,0]=3 43586 B14R2.951 Fc1ccc(cc1)SCCC2CO2 62a_100000732470_100000211213 [0,1,0,1,0,0|1,0,0]=3 43587 B14R2.951 Fc1ccc(cn1)CNCC2CO2 2230a_100000101913_100011216344 [0,1,0,1,0,0|2,0,0]=4 43588 B14R2.951 Fc1ccc(cn1)CNCC2CO2 34a_100000101913_102125554688 [0,1,0,1,0,0|2,0,0]=4 43589 B14R2.951 Fc1ccc(cn1)COCC2CO2 34a_100000079959_102125554688 [0,1,0,1,0,0|2,0,0]=4 43590 B14R2.951 Fc1ccc(cn1)COC[C@@H]2CO2 34a_100000757423_100000099788 [0,1,0,1,0,0|2,0,0]=4 43591 B14R2.951 Fc1ccc(cn1)CSCC2CO2 62a_100009820150_102125554688 [0,1,0,1,0,0|2,0,0]=4 43592 B14R2.951 Fc1ccc(cn1)CSCC2CO2 62a_102125554688_100000099788 [0,1,0,1,0,0|2,0,0]=4 43593 B14R2.951 Fc1ccc(cn1)CSC[C@@H]2CO2 62a_100000745022_100000099788 [0,1,0,1,0,0|2,0,0]=4 43594 B14R2.951 Fc1ccc(cn1)CSC[C@@H]2CO2 62a_100009820150_100000745022 [0,1,0,1,0,0|2,0,0]=4 43595 B14R2.951 Fc1ccc(cn1)OCCC2CO2 34a_100000688820_100000732470 [0,1,0,1,0,0|2,0,0]=4 43596 B14R2.951 Fc1ccc(cn1)OCCC2CO2 7a_100000688820_100000732470 [0,1,0,1,0,0|2,0,0]=4 43597 B14R2.951 Fc1ccc(cn1)SCCC2CO2 62a_100000042367_100000732470 [0,1,0,1,0,0|2,0,0]=4 43598 B14R2.951 Fc1ccc(cn1)SCCC2CO2 62a_100000732470_100000042367 [0,1,0,1,0,0|2,0,0]=4 43599 B14R2.951 Fc1ccc(nc1)CNCC2CO2 34a_100020620131_102125554688 [0,1,0,1,0,0|2,0,0]=4 43600 B14R2.951 Fc1ccc(nc1)COCC2CO2 34a_100011999454_102125554688 [0,1,0,1,0,0|2,0,0]=4 43601 B14R2.951 Fc1ccc(nc1)COC[C@@H]2CO2 34a_100000757423_100000703193 [0,1,0,1,0,0|2,0,0]=4 43602 B14R2.951 Fc1ccc(nc1)CSCC2CO2 62a_100000703193_102125554688 [0,1,0,1,0,0|2,0,0]=4 43603 B14R2.951 Fc1ccc(nc1)CSCC2CO2 62a_102125554688_100000703193 [0,1,0,1,0,0|2,0,0]=4 43604 B14R2.951 Fc1ccc(nc1)CSC[C@@H]2CO2 62a_100000703193_100000745022 [0,1,0,1,0,0|2,0,0]=4 43605 B14R2.951 Fc1ccc(nc1)CSC[C@@H]2CO2 62a_100000745022_100000703193 [0,1,0,1,0,0|2,0,0]=4 43606 B14R2.951 Fc1ccc(nc1)OCCC2CO2 34a_100000742473_100000732470 [0,1,0,1,0,0|2,0,0]=4 43607 B14R2.951 Fc1ccc(nc1)SCCC2CO2 62a_100000732470_100000744514 [0,1,0,1,0,0|2,0,0]=4 43608 B14R2.951 Fc1ccc(nc1)SCCC2CO2 62a_100000744514_100000732470 [0,1,0,1,0,0|2,0,0]=4 43609 B14R2.951 Ic1ccc(cc1)CCOC2CC2 34a_100012291149_100000211595 [0,1,0,1,0,0|2,0,0]=4 43610 B14R2.951 Ic1ccc(cc1)CNCC2CC2 207a_100000735609_100000188517 [0,1,0,1,0,0|2,0,0]=4 43611 B14R2.951 Ic1ccc(cc1)CNCC2CC2 2230a_100000735609_100000189116 [0,1,0,1,0,0|2,0,0]=4 43612 B14R2.951 Ic1ccc(cc1)CNCC2CC2 2230a_100016989417_100000742324 [0,1,0,1,0,0|2,0,0]=4 43613 B14R2.951 Ic1ccc(cc1)CNCC2CC2 269862a_100016989417_100000741477 [0,1,0,1,0,0|2,0,0]=4 43614 B14R2.951 Ic1ccc(cc1)CNCC2CC2 34a_100000735609_100000189116 [0,1,0,1,0,0|2,0,0]=4 43615 B14R2.951 Ic1ccc(cc1)CNCC2CC2 34a_100016989417_100000742324 [0,1,0,1,0,0|2,0,0]=4 43616 B14R2.951 Ic1ccc(cc1)CNCC2CO2 2230a_100016989417_100011216344 [0,1,0,1,0,0|1,0,0]=3 43617 B14R2.951 Ic1ccc(cc1)CNCC2CO2 34a_100016989417_102125554688 [0,1,0,1,0,0|1,0,0]=3 43618 B14R2.951 Ic1ccc(cc1)COCC2CC2 34a_100000211283_100000189116 [0,1,0,1,0,0|2,0,0]=4 43619 B14R2.951 Ic1ccc(cc1)COCC2CC2 34a_100000690907_100000742324 [0,1,0,1,0,0|2,0,0]=4 43620 B14R2.951 Ic1ccc(cc1)COCC2CC2 7a_100000690907_100000742324 [0,1,0,1,0,0|2,0,0]=4 43621 B14R2.951 Ic1ccc(cc1)COCC2CO2 34a_100000690907_102125554688 [0,1,0,1,0,0|1,0,0]=3 43622 B14R2.951 Ic1ccc(cc1)COCC2CO2 7a_100000690907_102125554688 [0,1,0,1,0,0|1,0,0]=3 43623 B14R2.951 Ic1ccc(cc1)COCC2CS2 7a_100000690907_100000031435 [0,1,0,1,0,0|1,1,0]=4 43624 B14R2.951 Ic1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100000189116 [0,1,0,1,0,0|1,0,0]=3 43625 B14R2.951 Ic1ccc(cc1)COC[C@@H]2CO2 7a_100000690907_100000745022 [0,1,0,1,0,0|1,0,0]=3 43626 B14R2.951 Ic1ccc(cc1)CSCC2CC2 62a_100000189116_100000742324 [0,1,0,1,0,0|2,0,0]=4 43627 B14R2.951 Ic1ccc(cc1)CSCC2CC2 62a_100000756562_100000189116 [0,1,0,1,0,0|2,0,0]=4 43628 B14R2.951 Ic1ccc(cc1)CSCC2CO2 62a_100000189116_102125554688 [0,1,0,1,0,0|1,0,0]=3 43629 B14R2.951 Ic1ccc(cc1)CSCC2CO2 62a_102125554688_100000189116 [0,1,0,1,0,0|1,0,0]=3 43630 B14R2.951 Ic1ccc(cc1)CSCC2CS2 62a_100000031435_100000189116 [0,1,0,1,0,0|1,1,0]=4 43631 B14R2.951 Ic1ccc(cc1)CSCC2CS2 62a_100000189116_100000031435 [0,1,0,1,0,0|1,1,0]=4 43632 B14R2.951 Ic1ccc(cc1)CSC[C@@H]2CO2 62a_100000189116_100000745022 [0,1,0,1,0,0|1,0,0]=3 43633 B14R2.951 Ic1ccc(cc1)CSC[C@@H]2CO2 62a_100000745022_100000189116 [0,1,0,1,0,0|1,0,0]=3 43634 B14R2.951 Ic1ccc(cc1)NCCC2CC2 34a_100000185761_100000694398 [0,1,0,1,0,0|2,0,0]=4 43635 B14R2.951 Ic1ccc(cc1)NCCC2CO2 34a_100000185761_100000732470 [0,1,0,1,0,0|1,0,0]=3 43636 B14R2.951 Ic1ccc(cc1)OCCC2CC2 34a_100000212066_100000694398 [0,1,0,1,0,0|2,0,0]=4 43637 B14R2.951 Ic1ccc(cc1)OCCC2CC2 7a_100000212066_100000764125 [0,1,0,1,0,0|2,0,0]=4 43638 B14R2.951 Ic1ccc(cc1)OCCC2CO2 34a_100000212066_100000732470 [0,1,0,1,0,0|1,0,0]=3 43639 B14R2.951 Ic1ccc(cc1)OCCC2CO2 7a_100000212066_100000732470 [0,1,0,1,0,0|1,0,0]=3 43640 B14R2.951 Ic1ccc(cn1)OCCC2CO2 34a_100000687607_100000732470 [0,1,0,1,0,0|2,0,0]=4 43641 B14R2.951 Ic1ccc(cn1)OCCC2CO2 7a_100000687607_100000732470 [0,1,0,1,0,0|2,0,0]=4 43642 B14R2.951 Nc1ccc(cc1)CCOC2CC2 34a_100011204434_100000211595 [0,1,0,1,0,0|2,0,0]=4 43643 B14R2.951 Nc1ccc(cc1)COCC2CC2 34a_100011215238_100000742324 [0,1,0,1,0,0|2,0,0]=4 43644 B14R2.951 Nc1ccc(cc1)COCC2CO2 34a_100011215238_102125554688 [0,1,0,1,0,0|1,0,0]=3 43645 B14R2.951 Nc1ccc(cc1)OCCC2CC2 34a_100000185829_100000694398 [0,1,0,1,0,0|2,0,0]=4 43646 B14R2.951 Nc1ccc(cc1)OCCC2CO2 34a_100000185829_100000732470 [0,1,0,1,0,0|1,0,0]=3 43647 B14R2.951 Nc1ccc(cc1)SCCC2CC2 62a_100000185761_100000764125 [0,1,0,1,0,0|2,0,0]=4 43648 B14R2.951 Nc1ccc(cc1)SCCC2CC2 62a_100000764125_100000185761 [0,1,0,1,0,0|2,0,0]=4 43649 B14R2.951 Nc1ccc(cc1)SCCC2CO2 62a_100000185761_100000732470 [0,1,0,1,0,0|1,0,0]=3 43650 B14R2.951 Nc1ccc(cc1)SCCC2CO2 62a_100000732470_100000185761 [0,1,0,1,0,0|1,0,0]=3 43651 B14R2.951 Nc1ccc(cn1)COCC2CO2 34a_100000704267_102125554688 [0,1,0,1,0,0|2,0,0]=4 43652 B14R2.951 Nc1ccc(cn1)OCCC2CO2 34a_100015188713_100000732470 [0,1,0,1,0,0|2,0,0]=4 43653 B14R2.951 Nc1ccc(cn1)OCCC2CO2 7a_100015188713_100000732470 [0,1,0,1,0,0|2,0,0]=4 43654 B14R2.951 Nc1ccc(cn1)SCCC2CO2 62a_100000187370_100000732470 [0,1,0,1,0,0|2,0,0]=4 43655 B14R2.951 Nc1ccc(cn1)SCCC2CO2 62a_100000732470_100000187370 [0,1,0,1,0,0|2,0,0]=4 43656 B14R2.951 Nc1ccc(nc1)COCC2CO2 34a_100011998161_102125554688 [0,1,0,1,0,0|2,0,0]=4 43657 B14R2.951 Nc1ccc(nc1)OCCC2CO2 34a_100000729260_100000732470 [0,1,0,1,0,0|2,0,0]=4 43658 B14R2.951 Nc1ccc(nc1)SCCC2CO2 62a_100000732470_100000737798 [0,1,0,1,0,0|2,0,0]=4 43659 B14R2.951 Nc1ccc(nc1)SCCC2CO2 62a_100000737798_100000732470 [0,1,0,1,0,0|2,0,0]=4 43660 B14R2.951 O=c1ccc(c[nH]1)COCC2CO2 34a_100011999846_102125554688 [0,1,0,1,0,0|2,0,0]=4 43661 B14R2.951 O=c1ccc(c[nH]1)OCCC2CO2 34a_100000075641_100000732470 [0,1,0,1,0,0|2,0,0]=4 43662 B14R2.951 O=c1ccc(c[nH]1)SCCC2CO2 62a_100000212171_100000732470 [0,1,0,1,0,0|2,0,0]=4 43663 B14R2.951 O=c1ccc(c[nH]1)SCCC2CO2 62a_100000732470_100000212171 [0,1,0,1,0,0|2,0,0]=4 43664 B14R2.951 Oc1ccc(cc1)CCNC2CC2 34a_100000743037_100000211595 [0,1,0,1,0,0|2,0,0]=4 43665 B14R2.951 Oc1ccc(cc1)CCSC2CC2 62a_100009816426_100000211595 [0,1,0,1,0,0|2,0,0]=4 43666 B14R2.951 Oc1ccc(cc1)CNCC2CC2 34a_100000185549_100000742324 [0,1,0,1,0,0|2,0,0]=4 43667 B14R2.951 Oc1ccc(cc1)CNCC2CO2 34a_100000185549_102125554688 [0,1,0,1,0,0|1,0,0]=3 43668 B14R2.951 Oc1ccc(cc1)COCC2CC2 271570a_203496583355_100011493758 [0,1,0,1,0,0|2,0,0]=4 43669 B14R2.951 Oc1ccc(cc1)NCCC2CC2 34a_100000185829_100000694398 [0,1,0,1,0,0|2,0,0]=4 43670 B14R2.951 Oc1ccc(cc1)NCCC2CO2 34a_100000185829_100000732470 [0,1,0,1,0,0|1,0,0]=3 43671 B14R2.951 Oc1ccc(cc1)SCCC2CC2 62a_100000764125_100000185759 [0,1,0,1,0,0|2,0,0]=4 43672 B14R2.951 Oc1ccc(cc1)SCCC2CO2 62a_100000732470_100000185759 [0,1,0,1,0,0|1,0,0]=3 43673 B14R2.951 Oc1ccc(cn1)CNCC2CO2 2230a_100000757128_100011216344 [0,1,0,1,0,0|2,0,0]=4 43674 B14R2.951 Oc1ccc(nc1)SCCC2CO2 62a_100000685995_100000732470 [0,1,0,1,0,0|2,0,0]=4 43675 B14R2.951 Oc1ccc(nc1)SCCC2CO2 62a_100000732470_100000744096 [0,1,0,1,0,0|2,0,0]=4 43676 B14R2.951 [O-][n+]1ccc(cc1)COCC2CO2 34a_100000031831_102125554688 [0,1,0,1,0,0|2,0,0]=4 43677 B14R2.951 [O-][n+]1ccc(cc1)COCC2CO2 7a_100000031831_102125554688 [0,1,0,1,0,0|2,0,0]=4 43678 B14R2.951 [O-][n+]1ccc(cc1)COC[C@@H]2CO2 7a_100000031831_100000745022 [0,1,0,1,0,0|2,0,0]=4 43679 B14R2.951 [O-][n+]1ccc(cc1)SCCC2CO2 62a_100000732470_100000039755 [0,1,0,1,0,0|2,0,0]=4 43680 B14R2.953 Cc1ccc(cc1)CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000210814 [0,1,0,1,0,0|2,0,0]=4 43681 B14R2.953 Cc1ccc(cc1)CN[C@@H]2C[C@H]2F 2230a_100025746932_100000210814 [0,1,0,1,0,0|2,0,0]=4 43682 B14R2.953 Cc1ccc(cc1)CN[C@@H]2C[C@H]2F 34a_100025746932_100000210814 [0,1,0,1,0,0|2,0,0]=4 43683 B14R2.953 F[C@@H]1C[C@H]1NCc2ccc(cc2)Br 2230a_100025746932_100011217064 [0,1,0,1,0,0|2,0,0]=4 43684 B14R2.953 F[C@@H]1C[C@H]1NCc2ccc(cc2)Br 34a_100025746932_100000189115 [0,1,0,1,0,0|2,0,0]=4 43685 B14R2.953 F[C@@H]1C[C@H]1NCc2ccc(cc2)Cl 2230a_100025746932_100000694040 [0,1,0,1,0,0|2,0,0]=4 43686 B14R2.953 F[C@@H]1C[C@H]1NCc2ccc(cc2)Cl 34a_100025746932_100000694040 [0,1,0,1,0,0|2,0,0]=4 43687 B14R2.953 F[C@@H]1C[C@H]1NCc2ccc(cc2)I 2230a_100025746932_100000189116 [0,1,0,1,0,0|2,0,0]=4 43688 B14R2.953 F[C@@H]1C[C@H]1NCc2ccc(cc2)I 34a_100025746932_100000189116 [0,1,0,1,0,0|2,0,0]=4 43689 B14R2.953 F[C@H]1C[C@H]1NCc2ccc(cc2)Br 2230a_100015190264_100011217064 [0,1,0,1,0,0|2,0,0]=4 43690 B14R2.953 F[C@H]1C[C@H]1NCc2ccc(cc2)Cl 2230a_100015190264_100000694040 [0,1,0,1,0,0|2,0,0]=4 43691 B14R2.953 F[C@H]1C[C@H]1NCc2ccc(cc2)I 2230a_100015190264_100000189116 [0,1,0,1,0,0|2,0,0]=4 43692 B14R2.953 Fc1ccc(cc1)CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000198546 [0,1,0,1,0,0|2,0,0]=4 43693 B14R2.953 Fc1ccc(cc1)CN[C@@H]2C[C@H]2F 2230a_100025746932_100000198546 [0,1,0,1,0,0|2,0,0]=4 43694 B14R2.953 Fc1ccc(cc1)CN[C@@H]2C[C@H]2F 34a_100025746932_100000198546 [0,1,0,1,0,0|2,0,0]=4 43695 B14R2.5637 O=C1CCCCc2c1cc(cc2)O 271570a_203496583355_100011742502 [0,1,0,1,0,0|0,0,2]=4 43696 B14R2.6419 CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210202 [0,1,0,1,0,0|2,0,0]=4 43697 B14R2.6419 CCNC1CCc2c1cc(cc2)Br 269862a_100015525214_100000759401 [0,1,0,1,0,0|2,0,0]=4 43698 B14R2.6419 CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000210202 [0,1,0,1,0,0|2,0,0]=4 43699 B14R2.6419 CCNC1CCc2c1cc(cc2)C 269862a_100015525214_100000753597 [0,1,0,1,0,0|2,0,0]=4 43700 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210202 [0,1,0,1,0,0|2,0,0]=4 43701 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl 269862a_100015525214_100000759629 [0,1,0,1,0,0|2,0,0]=4 43702 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000210202 [0,1,0,1,0,0|2,0,0]=4 43703 B14R2.6419 CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210202 [0,1,0,1,0,0|2,0,0]=4 43704 B14R2.6419 CCNC1CCc2c1cc(cc2)F 269862a_100015525214_100000759630 [0,1,0,1,0,0|2,0,0]=4 43705 B14R2.6419 CCNC1CCc2c1cc(cc2)F 34a_100000752734_100000210202 [0,1,0,1,0,0|2,0,0]=4 43706 B14R2.6419 CCNC1CCc2c1cc(cc2)I 269862a_100015525214_100011356848 [0,1,0,1,0,0|2,0,0]=4 43707 B14R2.6419 CCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000210202 [0,1,0,1,0,0|2,0,0]=4 43708 B14R2.6419 CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000210202 [0,1,0,1,0,0|2,0,0]=4 43709 B14R2.6419 FCNC1CCc2c1cc(cc2)Br 34a_100011435097_100015361967 [0,1,0,1,0,0|2,0,0]=4 43710 B14R2.6419 FCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100015361967 [0,1,0,1,0,0|2,0,0]=4 43711 B14R2.6419 FCNC1CCc2c1cc(cc2)F 34a_100000752734_100015361967 [0,1,0,1,0,0|2,0,0]=4 43712 B14R2.6419 FCOC1CCc2c1cc(cc2)Br 34a_100011836024_100015361967 [0,1,0,1,0,0|2,0,0]=4 43713 B14R2.6419 FCOC1CCc2c1cc(cc2)Br 7a_100011836024_100015361967 [0,1,0,1,0,0|2,0,0]=4 43714 B14R2.10626 Brc1ccc(cc1)CCN2CCC2 269982a_100000754969_100011740612 [0,1,0,1,0,0|2,0,0]=4 43715 B14R2.10626 Brc1ccc(cc1)CNC2CCC2 2230a_100000749019_100011217064 [0,1,0,1,0,0|2,0,0]=4 43716 B14R2.10626 Brc1ccc(cc1)CNC2CCC2 270004a_100000174875_100000241760 [0,1,0,1,0,0|2,0,0]=4 43717 B14R2.10626 Brc1ccc(cc1)CNC2CCC2 34a_100000174875_100000749161 [0,1,0,1,0,0|2,0,0]=4 43718 B14R2.10626 Brc1ccc(cc1)CNC2CCC2 34a_100000749019_100000189115 [0,1,0,1,0,0|2,0,0]=4 43719 B14R2.10626 Brc1ccc(cc1)COC2CCC2 34a_100000695286_100000749161 [0,1,0,1,0,0|2,0,0]=4 43720 B14R2.10626 Brc1ccc(cc1)COC2CCC2 34a_100000748187_100000189115 [0,1,0,1,0,0|2,0,0]=4 43721 B14R2.10626 Brc1ccc(cc1)CSC2CCC2 62a_100000189115_100000749161 [0,1,0,1,0,0|2,0,0]=4 43722 B14R2.10626 Brc1ccc(cc1)NCC2CCC2 2230a_100000210018_100000763275 [0,1,0,1,0,0|2,0,0]=4 43723 B14R2.10626 Brc1ccc(cc1)NCC2CCC2 34a_100000210018_100000763275 [0,1,0,1,0,0|2,0,0]=4 43724 B14R2.10626 Brc1ccc(cc1)NCC2CCO2 2230a_100000210018_100000103362 [0,1,0,1,0,0|1,0,0]=3 43725 B14R2.10626 Brc1ccc(cc1)NCC2CCO2 34a_100000210018_100000103362 [0,1,0,1,0,0|1,0,0]=3 43726 B14R2.10626 Brc1ccc(cc1)OCC2CCC2 34a_100000185759_100000763275 [0,1,0,1,0,0|2,0,0]=4 43727 B14R2.10626 Brc1ccc(cc1)OCC2CCC2 7a_100000185759_100000763275 [0,1,0,1,0,0|2,0,0]=4 43728 B14R2.10626 Brc1ccc(cc1)OCC2CCO2 34a_100000185759_100000103362 [0,1,0,1,0,0|1,0,0]=3 43729 B14R2.10626 Brc1ccc(cc1)OCC2CCO2 7a_100000185759_100000103362 [0,1,0,1,0,0|1,0,0]=3 43730 B14R2.10626 Brc1ccc(cc1)SCC2CCC2 62a_100000752885_100000763275 [0,1,0,1,0,0|2,0,0]=4 43731 B14R2.10626 Brc1ccc(cc1)SCC2CCC2 62a_100000763275_100000752885 [0,1,0,1,0,0|2,0,0]=4 43732 B14R2.10626 Brc1ccc(cc1)SCC2CCO2 62a_100000103362_100000752885 [0,1,0,1,0,0|1,0,0]=3 43733 B14R2.10626 Brc1ccc(cc1)SCC2CCO2 62a_100000752885_100000103362 [0,1,0,1,0,0|1,0,0]=3 43734 B14R2.10626 Brc1ccc(cn1)OCC2CCO2 34a_100000685995_100000103362 [0,1,0,1,0,0|2,0,0]=4 43735 B14R2.10626 Brc1ccc(cn1)OCC2CCO2 7a_100000685995_100000103362 [0,1,0,1,0,0|2,0,0]=4 43736 B14R2.10626 Brc1ccc(cn1)SCC2CCO2 62a_100000103362_100009814638 [0,1,0,1,0,0|2,0,0]=4 43737 B14R2.10626 Brc1ccc(cn1)SCC2CCO2 62a_100009814638_100000103362 [0,1,0,1,0,0|2,0,0]=4 43738 B14R2.10626 Brc1ccc(nc1)NC[C@@H]2CCO2 27a_100020831831_100000686858 [0,1,0,1,0,0|2,0,0]=4 43739 B14R2.10626 Brc1ccc(nc1)SCC2CCO2 62a_100000103362_100000686858 [0,1,0,1,0,0|2,0,0]=4 43740 B14R2.10626 Brc1ccc(nc1)SCC2CCO2 62a_100000686858_100000103362 [0,1,0,1,0,0|2,0,0]=4 43741 B14R2.10626 Cc1ccc(cc1)CCN2CCC2 269982a_100000754969_100011713686 [0,1,0,1,0,0|2,0,0]=4 43742 B14R2.10626 Cc1ccc(cc1)CNC2CCC2 2230a_100000749019_100000210814 [0,1,0,1,0,0|2,0,0]=4 43743 B14R2.10626 Cc1ccc(cc1)CNC2CCC2 270004a_100000174908_100000241760 [0,1,0,1,0,0|2,0,0]=4 43744 B14R2.10626 Cc1ccc(cc1)CNC2CCC2 34a_100000174908_100000749161 [0,1,0,1,0,0|2,0,0]=4 43745 B14R2.10626 Cc1ccc(cc1)CNC2CCC2 34a_100000749019_100000210814 [0,1,0,1,0,0|2,0,0]=4 43746 B14R2.10626 Cc1ccc(cc1)COC2CCC2 34a_100000748187_100000210814 [0,1,0,1,0,0|2,0,0]=4 43747 B14R2.10626 Cc1ccc(cc1)COC2CCC2 34a_100011215236_100000749161 [0,1,0,1,0,0|2,0,0]=4 43748 B14R2.10626 Cc1ccc(cc1)CSC2CCC2 62a_100000210814_100000749161 [0,1,0,1,0,0|2,0,0]=4 43749 B14R2.10626 Cc1ccc(cc1)NCC2CCC2 34a_100000124888_100000763275 [0,1,0,1,0,0|2,0,0]=4 43750 B14R2.10626 Cc1ccc(cc1)NCC2CCO2 34a_100000124888_100000103362 [0,1,0,1,0,0|1,0,0]=3 43751 B14R2.10626 Cc1ccc(cc1)OCC2CCC2 34a_100000210336_100000763275 [0,1,0,1,0,0|2,0,0]=4 43752 B14R2.10626 Cc1ccc(cc1)OCC2CCC2 7a_100000210336_100000763275 [0,1,0,1,0,0|2,0,0]=4 43753 B14R2.10626 Cc1ccc(cc1)OCC2CCO2 34a_100000210336_100000103362 [0,1,0,1,0,0|1,0,0]=3 43754 B14R2.10626 Cc1ccc(cc1)OCC2CCO2 7a_100000210336_100000103362 [0,1,0,1,0,0|1,0,0]=3 43755 B14R2.10626 Cc1ccc(cc1)SCC2CCC2 62a_100000186775_100000763275 [0,1,0,1,0,0|2,0,0]=4 43756 B14R2.10626 Cc1ccc(cc1)SCC2CCC2 62a_100000763275_100000186775 [0,1,0,1,0,0|2,0,0]=4 43757 B14R2.10626 Cc1ccc(cc1)SCC2CCO2 62a_100000103362_100000186775 [0,1,0,1,0,0|1,0,0]=3 43758 B14R2.10626 Cc1ccc(cc1)SCC2CCO2 62a_100000186775_100000103362 [0,1,0,1,0,0|1,0,0]=3 43759 B14R2.10626 Cc1ccc(cn1)OCC2CCO2 34a_100000745506_100000103362 [0,1,0,1,0,0|2,0,0]=4 43760 B14R2.10626 Cc1ccc(cn1)OCC2CCO2 7a_100000745506_100000103362 [0,1,0,1,0,0|2,0,0]=4 43761 B14R2.10626 Cc1ccc(cn1)SCC2CCO2 62a_100000103362_100000751577 [0,1,0,1,0,0|2,0,0]=4 43762 B14R2.10626 Cc1ccc(cn1)SCC2CCO2 62a_100000751577_100000103362 [0,1,0,1,0,0|2,0,0]=4 43763 B14R2.10626 Cc1ccc(nc1)OCC2CCO2 34a_100000759353_100000103362 [0,1,0,1,0,0|2,0,0]=4 43764 B14R2.10626 Cc1ccc(nc1)SCC2CCO2 62a_100000103362_100000754016 [0,1,0,1,0,0|2,0,0]=4 43765 B14R2.10626 Cc1ccc(nc1)SCC2CCO2 62a_100011192072_100000103362 [0,1,0,1,0,0|2,0,0]=4 43766 B14R2.10626 Clc1ccc(cc1)CCN2CCC2 269982a_100000754969_100011713675 [0,1,0,1,0,0|2,0,0]=4 43767 B14R2.10626 Clc1ccc(cc1)CNC2CCC2 2230a_100000749019_100000694040 [0,1,0,1,0,0|2,0,0]=4 43768 B14R2.10626 Clc1ccc(cc1)CNC2CCC2 270004a_100000174871_100000241760 [0,1,0,1,0,0|2,0,0]=4 43769 B14R2.10626 Clc1ccc(cc1)CNC2CCC2 34a_100000174871_100000749161 [0,1,0,1,0,0|2,0,0]=4 43770 B14R2.10626 Clc1ccc(cc1)CNC2CCC2 34a_100000749019_100000694040 [0,1,0,1,0,0|2,0,0]=4 43771 B14R2.10626 Clc1ccc(cc1)COC2CCC2 34a_100000211118_100000749161 [0,1,0,1,0,0|2,0,0]=4 43772 B14R2.10626 Clc1ccc(cc1)COC2CCC2 34a_100000748187_100000694040 [0,1,0,1,0,0|2,0,0]=4 43773 B14R2.10626 Clc1ccc(cc1)CSC2CCC2 62a_100000187161_100000749161 [0,1,0,1,0,0|2,0,0]=4 43774 B14R2.10626 Clc1ccc(cc1)NCC2CCC2 2230a_100000210052_100000763275 [0,1,0,1,0,0|2,0,0]=4 43775 B14R2.10626 Clc1ccc(cc1)NCC2CCC2 34a_100000210052_100000763275 [0,1,0,1,0,0|2,0,0]=4 43776 B14R2.10626 Clc1ccc(cc1)NCC2CCO2 2230a_100000210052_100000103362 [0,1,0,1,0,0|1,0,0]=3 43777 B14R2.10626 Clc1ccc(cc1)NCC2CCO2 34a_100000210052_100000103362 [0,1,0,1,0,0|1,0,0]=3 43778 B14R2.10626 Clc1ccc(cc1)OCC2CCC2 34a_100000210216_100000763275 [0,1,0,1,0,0|2,0,0]=4 43779 B14R2.10626 Clc1ccc(cc1)OCC2CCC2 7a_100000210216_100000763275 [0,1,0,1,0,0|2,0,0]=4 43780 B14R2.10626 Clc1ccc(cc1)OCC2CCO2 34a_100000210216_100000103362 [0,1,0,1,0,0|1,0,0]=3 43781 B14R2.10626 Clc1ccc(cc1)OCC2CCO2 7a_100000210216_100000103362 [0,1,0,1,0,0|1,0,0]=3 43782 B14R2.10626 Clc1ccc(cc1)SCC2CCC2 62a_100000755918_100000763275 [0,1,0,1,0,0|2,0,0]=4 43783 B14R2.10626 Clc1ccc(cc1)SCC2CCC2 62a_100000763275_100000755918 [0,1,0,1,0,0|2,0,0]=4 43784 B14R2.10626 Clc1ccc(cc1)SCC2CCO2 62a_100000103362_100000755918 [0,1,0,1,0,0|1,0,0]=3 43785 B14R2.10626 Clc1ccc(cc1)SCC2CCO2 62a_100000755918_100000103362 [0,1,0,1,0,0|1,0,0]=3 43786 B14R2.10626 Clc1ccc(cn1)OCC2CCO2 34a_100000744096_100000103362 [0,1,0,1,0,0|2,0,0]=4 43787 B14R2.10626 Clc1ccc(cn1)OCC2CCO2 7a_100000744096_100000103362 [0,1,0,1,0,0|2,0,0]=4 43788 B14R2.10626 Clc1ccc(cn1)SCC2CCO2 62a_100000034144_100000103362 [0,1,0,1,0,0|2,0,0]=4 43789 B14R2.10626 Clc1ccc(cn1)SCC2CCO2 62a_100000103362_100000034144 [0,1,0,1,0,0|2,0,0]=4 43790 B14R2.10626 Clc1ccc(nc1)OCC2CCO2 34a_100011215309_100000103362 [0,1,0,1,0,0|2,0,0]=4 43791 B14R2.10626 Clc1ccc(nc1)SCC2CCO2 62a_100000103362_100011356976 [0,1,0,1,0,0|2,0,0]=4 43792 B14R2.10626 Clc1ccc(nc1)SCC2CCO2 62a_100011356976_100000103362 [0,1,0,1,0,0|2,0,0]=4 43793 B14R2.10626 Fc1ccc(cc1)CCN2CCC2 269982a_100000754969_100011217392 [0,1,0,1,0,0|2,0,0]=4 43794 B14R2.10626 Fc1ccc(cc1)CNC2CCC2 2230a_100000749019_100000198546 [0,1,0,1,0,0|2,0,0]=4 43795 B14R2.10626 Fc1ccc(cc1)CNC2CCC2 270004a_100000174882_100000241760 [0,1,0,1,0,0|2,0,0]=4 43796 B14R2.10626 Fc1ccc(cc1)CNC2CCC2 34a_100000174882_100000749161 [0,1,0,1,0,0|2,0,0]=4 43797 B14R2.10626 Fc1ccc(cc1)CNC2CCC2 34a_100000749019_100000198546 [0,1,0,1,0,0|2,0,0]=4 43798 B14R2.10626 Fc1ccc(cc1)COC2CCC2 34a_100000210977_100000749161 [0,1,0,1,0,0|2,0,0]=4 43799 B14R2.10626 Fc1ccc(cc1)COC2CCC2 34a_100000748187_100000198546 [0,1,0,1,0,0|2,0,0]=4 43800 B14R2.10626 Fc1ccc(cc1)CSC2CCC2 62a_100000198546_100000749161 [0,1,0,1,0,0|2,0,0]=4 43801 B14R2.10626 Fc1ccc(cc1)NCC2CCC2 34a_100000185862_100000763275 [0,1,0,1,0,0|2,0,0]=4 43802 B14R2.10626 Fc1ccc(cc1)NCC2CCO2 34a_100000185862_100000103362 [0,1,0,1,0,0|1,0,0]=3 43803 B14R2.10626 Fc1ccc(cc1)OCC2CCC2 34a_100000210339_100000763275 [0,1,0,1,0,0|2,0,0]=4 43804 B14R2.10626 Fc1ccc(cc1)OCC2CCO2 34a_100000210339_100000103362 [0,1,0,1,0,0|1,0,0]=3 43805 B14R2.10626 Fc1ccc(cc1)SCC2CCC2 62a_100000211213_100000763275 [0,1,0,1,0,0|2,0,0]=4 43806 B14R2.10626 Fc1ccc(cc1)SCC2CCC2 62a_100000763275_100000211213 [0,1,0,1,0,0|2,0,0]=4 43807 B14R2.10626 Fc1ccc(cc1)SCC2CCO2 62a_100000103362_100000211213 [0,1,0,1,0,0|1,0,0]=3 43808 B14R2.10626 Fc1ccc(cc1)SCC2CCO2 62a_100000211213_100000103362 [0,1,0,1,0,0|1,0,0]=3 43809 B14R2.10626 Fc1ccc(cn1)OCC2CCO2 34a_100000688820_100000103362 [0,1,0,1,0,0|2,0,0]=4 43810 B14R2.10626 Fc1ccc(cn1)OCC2CCO2 7a_100000688820_100000103362 [0,1,0,1,0,0|2,0,0]=4 43811 B14R2.10626 Fc1ccc(cn1)SCC2CCO2 62a_100000042367_100000103362 [0,1,0,1,0,0|2,0,0]=4 43812 B14R2.10626 Fc1ccc(cn1)SCC2CCO2 62a_100000103362_100000042367 [0,1,0,1,0,0|2,0,0]=4 43813 B14R2.10626 Fc1ccc(nc1)OCC2CCO2 34a_100000742473_100000103362 [0,1,0,1,0,0|2,0,0]=4 43814 B14R2.10626 Fc1ccc(nc1)SCC2CCO2 62a_100000103362_100000744514 [0,1,0,1,0,0|2,0,0]=4 43815 B14R2.10626 Fc1ccc(nc1)SCC2CCO2 62a_100000744514_100000103362 [0,1,0,1,0,0|2,0,0]=4 43816 B14R2.10626 Ic1ccc(cc1)CNC2CCC2 2230a_100000749019_100000189116 [0,1,0,1,0,0|2,0,0]=4 43817 B14R2.10626 Ic1ccc(cc1)CNC2CCC2 270004a_100016989417_100000241760 [0,1,0,1,0,0|2,0,0]=4 43818 B14R2.10626 Ic1ccc(cc1)CNC2CCC2 34a_100000749019_100000189116 [0,1,0,1,0,0|2,0,0]=4 43819 B14R2.10626 Ic1ccc(cc1)CNC2CCC2 34a_100016989417_100000749161 [0,1,0,1,0,0|2,0,0]=4 43820 B14R2.10626 Ic1ccc(cc1)COC2CCC2 34a_100000690907_100000749161 [0,1,0,1,0,0|2,0,0]=4 43821 B14R2.10626 Ic1ccc(cc1)COC2CCC2 34a_100000748187_100000189116 [0,1,0,1,0,0|2,0,0]=4 43822 B14R2.10626 Ic1ccc(cc1)CSC2CCC2 62a_100000189116_100000749161 [0,1,0,1,0,0|2,0,0]=4 43823 B14R2.10626 Ic1ccc(cc1)NCC2CCC2 34a_100000185761_100000763275 [0,1,0,1,0,0|2,0,0]=4 43824 B14R2.10626 Ic1ccc(cc1)NCC2CCO2 34a_100000185761_100000103362 [0,1,0,1,0,0|1,0,0]=3 43825 B14R2.10626 Ic1ccc(cc1)OCC2CCC2 34a_100000212066_100000763275 [0,1,0,1,0,0|2,0,0]=4 43826 B14R2.10626 Ic1ccc(cc1)OCC2CCC2 7a_100000212066_100000763275 [0,1,0,1,0,0|2,0,0]=4 43827 B14R2.10626 Ic1ccc(cc1)OCC2CCO2 34a_100000212066_100000103362 [0,1,0,1,0,0|1,0,0]=3 43828 B14R2.10626 Ic1ccc(cc1)OCC2CCO2 7a_100000212066_100000103362 [0,1,0,1,0,0|1,0,0]=3 43829 B14R2.10626 Ic1ccc(cn1)OCC2CCO2 34a_100000687607_100000103362 [0,1,0,1,0,0|2,0,0]=4 43830 B14R2.10626 Ic1ccc(cn1)OCC2CCO2 7a_100000687607_100000103362 [0,1,0,1,0,0|2,0,0]=4 43831 B14R2.10626 Nc1ccc(cc1)COC2CCC2 34a_100011215238_100000749161 [0,1,0,1,0,0|2,0,0]=4 43832 B14R2.10626 Nc1ccc(cc1)OCC2CCC2 34a_100000185829_100000763275 [0,1,0,1,0,0|2,0,0]=4 43833 B14R2.10626 Nc1ccc(cc1)OCC2CCO2 34a_100000185829_100000103362 [0,1,0,1,0,0|1,0,0]=3 43834 B14R2.10626 Nc1ccc(cc1)SCC2CCC2 62a_100000185761_100000763275 [0,1,0,1,0,0|2,0,0]=4 43835 B14R2.10626 Nc1ccc(cc1)SCC2CCC2 62a_100000763275_100000185761 [0,1,0,1,0,0|2,0,0]=4 43836 B14R2.10626 Nc1ccc(cc1)SCC2CCO2 62a_100000103362_100000185761 [0,1,0,1,0,0|1,0,0]=3 43837 B14R2.10626 Nc1ccc(cc1)SCC2CCO2 62a_100000185761_100000103362 [0,1,0,1,0,0|1,0,0]=3 43838 B14R2.10626 Nc1ccc(cn1)OCC2CCO2 34a_100015188713_100000103362 [0,1,0,1,0,0|2,0,0]=4 43839 B14R2.10626 Nc1ccc(cn1)OCC2CCO2 7a_100015188713_100000103362 [0,1,0,1,0,0|2,0,0]=4 43840 B14R2.10626 Nc1ccc(cn1)SCC2CCO2 62a_100000103362_100000187370 [0,1,0,1,0,0|2,0,0]=4 43841 B14R2.10626 Nc1ccc(cn1)SCC2CCO2 62a_100000187370_100000103362 [0,1,0,1,0,0|2,0,0]=4 43842 B14R2.10626 Nc1ccc(nc1)OCC2CCO2 34a_100000729260_100000103362 [0,1,0,1,0,0|2,0,0]=4 43843 B14R2.10626 Nc1ccc(nc1)SCC2CCO2 62a_100000103362_100000737798 [0,1,0,1,0,0|2,0,0]=4 43844 B14R2.10626 Nc1ccc(nc1)SCC2CCO2 62a_100000737798_100000103362 [0,1,0,1,0,0|2,0,0]=4 43845 B14R2.10626 O=c1ccc(c[nH]1)OCC2CCO2 34a_100000075641_100000103362 [0,1,0,1,0,0|2,0,0]=4 43846 B14R2.10626 O=c1ccc(c[nH]1)SCC2CCO2 62a_100000103362_100000212171 [0,1,0,1,0,0|2,0,0]=4 43847 B14R2.10626 O=c1ccc(c[nH]1)SCC2CCO2 62a_100000212171_100000103362 [0,1,0,1,0,0|2,0,0]=4 43848 B14R2.10626 Oc1ccc(cc1)CCN2CCC2 269982a_100000754969_100009816426 [0,1,0,1,0,0|2,0,0]=4 43849 B14R2.10626 Oc1ccc(cc1)CNC2CCC2 34a_100000185549_100000749161 [0,1,0,1,0,0|2,0,0]=4 43850 B14R2.10626 Oc1ccc(cc1)NCC2CCC2 34a_100000185829_100000763275 [0,1,0,1,0,0|2,0,0]=4 43851 B14R2.10626 Oc1ccc(cc1)NCC2CCO2 34a_100000185829_100000103362 [0,1,0,1,0,0|1,0,0]=3 43852 B14R2.10626 Oc1ccc(cc1)SCC2CCC2 62a_100000763275_100000185759 [0,1,0,1,0,0|2,0,0]=4 43853 B14R2.10626 Oc1ccc(cc1)SCC2CCO2 62a_100000103362_100000185759 [0,1,0,1,0,0|1,0,0]=3 43854 B14R2.10626 Oc1ccc(nc1)SCC2CCO2 62a_100000103362_100000744096 [0,1,0,1,0,0|2,0,0]=4 43855 B14R2.10626 Oc1ccc(nc1)SCC2CCO2 62a_100000685995_100000103362 [0,1,0,1,0,0|2,0,0]=4 43856 B14R2.10626 [O-][n+]1ccc(cc1)SCC2CCO2 62a_100000103362_100000039755 [0,1,0,1,0,0|2,0,0]=4 43857 B14R2.11684 CNC1CCCc2c1cc(cc2)Br 2230a_100011742594_200000210301 [0,1,0,1,0,0|2,0,0]=4 43858 B14R2.11684 CNC1CCCc2c1cc(cc2)Br 269862a_106832991636_100000760428 [0,1,0,1,0,0|2,0,0]=4 43859 B14R2.11684 CNC1CCCc2c1cc(cc2)Br 34a_100011742594_200000210301 [0,1,0,1,0,0|2,0,0]=4 43860 B14R2.11684 CNC1CCCc2c1cc(cc2)C 2230a_100015204190_200000210301 [0,1,0,1,0,0|2,0,0]=4 43861 B14R2.11684 CNC1CCCc2c1cc(cc2)C 269862a_106832991636_100000685544 [0,1,0,1,0,0|2,0,0]=4 43862 B14R2.11684 CNC1CCCc2c1cc(cc2)C 34a_100015204190_200000210301 [0,1,0,1,0,0|2,0,0]=4 43863 B14R2.11684 CNC1CCCc2c1cc(cc2)Cl 269862a_106832991636_100000691401 [0,1,0,1,0,0|2,0,0]=4 43864 B14R2.11684 CNC1CCCc2c1cc(cc2)F 269862a_106832991636_100000691130 [0,1,0,1,0,0|2,0,0]=4 43865 B14R2.11684 CNC1CCCc2c1cc(cc2)I 269862a_106832991636_100000050175 [0,1,0,1,0,0|2,0,0]=4 43866 B14R2.11684 CN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_200000210301 [0,1,0,1,0,0|2,0,0]=4 43867 B14R2.11684 CN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_200000210301 [0,1,0,1,0,0|2,0,0]=4 43868 B14R2.11684 CN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_200000210301 [0,1,0,1,0,0|2,0,0]=4 43869 B14R2.11684 CN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_200000210301 [0,1,0,1,0,0|2,0,0]=4 43870 B14R2.11684 COC1CCCc2c1cc(cc2)Br 34a_100011660633_200000210301 [0,1,0,1,0,0|2,0,0]=4 43871 B14R2.11684 COC1CCCc2c1cc(cc2)Br 7a_100011660633_200000210301 [0,1,0,1,0,0|2,0,0]=4 43872 B14R2.11684 COC1CCCc2c1cc(cc2)N 34a_100009883350_200000210301 [0,1,0,1,0,0|2,0,0]=4 43873 B14R2.11684 Cc1ccc2c(c1)C(CCC2)N[13CH3] 2230a_100015204190_200025704644 [0,1,0,1,0,0|2,0,0]=4 43874 B14R2.11684 Cc1ccc2c(c1)C(CCC2)N[13CH3] 34a_100015204190_200025704644 [0,1,0,1,0,0|2,0,0]=4 43875 B14R2.11684 [13CH3]NC1CCCc2c1cc(cc2)Br 2230a_100011742594_200025704644 [0,1,0,1,0,0|2,0,0]=4 43876 B14R2.11684 [13CH3]NC1CCCc2c1cc(cc2)Br 34a_100011742594_200025704644 [0,1,0,1,0,0|2,0,0]=4 43877 B14R2.11684 [13CH3]N[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_200025704644 [0,1,0,1,0,0|2,0,0]=4 43878 B14R2.11684 [13CH3]N[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_200025704644 [0,1,0,1,0,0|2,0,0]=4 43879 B14R2.11684 [13CH3]N[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_200025704644 [0,1,0,1,0,0|2,0,0]=4 43880 B14R2.11684 [13CH3]N[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_200025704644 [0,1,0,1,0,0|2,0,0]=4 43881 B14R2.11684 [13CH3]OC1CCCc2c1cc(cc2)Br 34a_100011660633_200025704644 [0,1,0,1,0,0|2,0,0]=4 43882 B14R2.11684 [13CH3]OC1CCCc2c1cc(cc2)Br 7a_100011660633_200025704644 [0,1,0,1,0,0|2,0,0]=4 43883 B14R2.11684 [13CH3]OC1CCCc2c1cc(cc2)N 34a_100009883350_200025704644 [0,1,0,1,0,0|2,0,0]=4 43884 B14R2.8 CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210202 [0,1,0,1,0,0|2,0,0]=4 43885 B14R2.8 CCN1CCC(C1)c2ccccc2 269982a_100000747531_100000204670 [0,1,0,1,0,0|2,0,0]=4 43886 B14R2.8 CCN1CCC(C1)c2ccccc2 34a_100000747531_100000210202 [0,1,0,1,0,0|2,0,0]=4 43887 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,1,0,1,0,0|2,0,0]=4 43888 B14R2.8 FCN1CCC(C1)c2ccccc2 269982a_100000747531_100015361967 [0,1,0,1,0,0|2,0,0]=4 43889 B14R2.8 FCN1CCC(C1)c2ccccc2 34a_100000747531_100015361967 [0,1,0,1,0,0|2,0,0]=4 43890 B14R2.41 CCNC1CC(C1)c2ccccc2 270004a_100015525214_100000741317 [0,1,0,1,0,0|2,0,0]=4 43891 B14R2.41 CCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210202 [0,1,0,1,0,0|2,0,0]=4 43892 B14R2.41 OCCN1CC(C1)c2cccnc2 269982a_100015183634_100000211926 [0,1,0,1,0,0|2,0,0]=4 43893 B14R2.41 OCCN1CC(C1)c2ccncc2 269982a_100015185986_100000211926 [0,1,0,1,0,0|2,0,0]=4 43894 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000038162 [0,1,0,1,0,0|1,0,1]=4 43895 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000184674 [0,1,0,1,0,0|1,0,1]=4 43896 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210623 [0,1,0,1,0,0|1,0,1]=4 43897 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015514636 [0,1,0,1,0,0|1,0,1]=4 43898 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [0,1,0,1,0,0|1,0,0]=3 43899 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [0,1,0,1,0,0|1,0,0]=3 43900 B14R2.66 CCOCC1CC1c2ccccc2 34a_100011997005_100000210202 [0,1,0,1,0,0|1,0,0]=3 43901 B14R2.66 CCOCC1CC1c2ccccc2 7a_100011997005_100000210202 [0,1,0,1,0,0|1,0,0]=3 43902 B14R2.66 CCOCC1OC1c2ccccc2 34a_100000032844_100000210202 [0,1,0,1,0,0|2,0,0]=4 43903 B14R2.66 CCOCC1OC1c2ccccc2 7a_100000032844_100000210202 [0,1,0,1,0,0|2,0,0]=4 43904 B14R2.66 COCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766300 [0,1,0,1,0,0|1,0,0]=3 43905 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011218213 [0,1,0,1,0,0|1,1,0]=4 43906 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011218213 [0,1,0,1,0,0|1,1,0]=4 43907 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011217306 [0,1,0,1,0,0|1,0,0]=3 43908 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011217306 [0,1,0,1,0,0|1,0,0]=3 43909 B14R2.66 FCOCC1CC1c2ccccc2 34a_100011997005_100015361967 [0,1,0,1,0,0|1,0,0]=3 43910 B14R2.66 FCOCC1CC1c2ccccc2 7a_100011997005_100015361967 [0,1,0,1,0,0|1,0,0]=3 43911 B14R2.66 FCOCC1OC1c2ccccc2 34a_100000032844_100015361967 [0,1,0,1,0,0|2,0,0]=4 43912 B14R2.66 FCOCC1OC1c2ccccc2 7a_100000032844_100015361967 [0,1,0,1,0,0|2,0,0]=4 43913 B14R2.66 N#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215382 [0,1,0,1,0,0|1,0,1]=4 43914 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200015260668 [0,1,0,1,0,0|0,0,2]=4 43915 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200009817547 [0,1,0,1,0,0|0,0,2]=4 43916 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211926 [0,1,0,1,0,0|0,0,0]=2 43917 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000211926 [0,1,0,1,0,0|0,0,0]=2 43918 B14R2.114 CC(c1ccccc1)N2CCCC2 2230a_100000188435_100000230085 [0,1,0,1,0,0|2,0,0]=4 43919 B14R2.114 CC(c1ccccc1)N2CCCC2 269982a_100000188435_100000230085 [0,1,0,1,0,0|2,0,0]=4 43920 B14R2.114 CN(c1ccccc1)C2CCCC2 2230a_100000210012_100000179811 [0,1,0,1,0,0|2,0,0]=4 43921 B14R2.114 CN(c1ccccc1)C2CCCC2 269982a_100000210012_100000179811 [0,1,0,1,0,0|2,0,0]=4 43922 B14R2.114 CN(c1ccccc1)C2CCCC2 34a_100000210012_100000179811 [0,1,0,1,0,0|2,0,0]=4 43923 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [0,1,0,1,0,0|1,0,1]=4 43924 B14R2.335 CC1CCN1C(C)c2ccccc2 269982a_100000755817_100000230085 [0,1,0,1,0,0|2,0,0]=4 43925 B14R2.335 CC1CCN1C(C)c2ccccc2 34a_100000755817_100000211855 [0,1,0,1,0,0|2,0,0]=4 43926 B14R2.352 CC(N[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000230085 [0,1,0,1,0,0|2,0,0]=4 43927 B14R2.352 CC(N[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000230085 [0,1,0,1,0,0|2,0,0]=4 43928 B14R2.352 CC(N[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100000211855 [0,1,0,1,0,0|2,0,0]=4 43929 B14R2.510 CCNC1CC(c2c1cccc2)C 269862a_100015525214_100000750356 [0,1,0,1,0,0|2,0,0]=4 43930 B14R2.792 CC(CNC1CC1)c2ccccc2 34a_100000212008_100000756946 [0,1,0,1,0,0|2,0,0]=4 43931 B14R2.792 CC(CNC1CC1)c2ccccc2 34a_100000701038_100000211595 [0,1,0,1,0,0|2,0,0]=4 43932 B14R2.792 CC(COC1CC1)c2ccccc2 34a_100011215166_100000211595 [0,1,0,1,0,0|2,0,0]=4 43933 B14R2.792 CC(CSC1CC1)c2ccccc2 62a_100000756946_100000211595 [0,1,0,1,0,0|2,0,0]=4 43934 B14R2.792 CC(NCC1CC1)c2ccccc2 2230a_100000735609_100000230085 [0,1,0,1,0,0|2,0,0]=4 43935 B14R2.792 CC(NCC1CC1)c2ccccc2 34a_100000735609_100000211855 [0,1,0,1,0,0|2,0,0]=4 43936 B14R2.792 CC(NCC1CO1)c2ccccn2 2230a_100000181244_100011216344 [0,1,0,1,0,0|2,0,0]=4 43937 B14R2.792 CC(NCC1CO1)c2cccnc2 2230a_100000195435_100011216344 [0,1,0,1,0,0|2,0,0]=4 43938 B14R2.792 CC(NCC1CO1)c2ccncc2 2230a_100000181269_100011216344 [0,1,0,1,0,0|2,0,0]=4 43939 B14R2.792 CC(OCC1CC1)c2ccccc2 34a_100000211283_100000211855 [0,1,0,1,0,0|2,0,0]=4 43940 B14R2.792 CC(OC[C@@H]1CO1)c2ccccc2 34a_100000757423_100000211855 [0,1,0,1,0,0|1,0,0]=3 43941 B14R2.792 CC(SCC1CC1)c2ccccc2 62a_100000230085_100000742324 [0,1,0,1,0,0|2,0,0]=4 43942 B14R2.792 CC(SCC1CC1)c2ccccc2 62a_100000756562_100000230085 [0,1,0,1,0,0|2,0,0]=4 43943 B14R2.792 CC(SCC1CO1)c2ccccc2 62a_100000230085_102125554688 [0,1,0,1,0,0|1,0,0]=3 43944 B14R2.792 CC(SCC1CO1)c2ccccc2 62a_102125554688_100000230085 [0,1,0,1,0,0|1,0,0]=3 43945 B14R2.792 CC(SCC1CS1)c2ccccc2 62a_100000031435_100000230085 [0,1,0,1,0,0|1,1,0]=4 43946 B14R2.792 CC(SCC1CS1)c2ccccc2 62a_100000230085_100000031435 [0,1,0,1,0,0|1,1,0]=4 43947 B14R2.792 CC(SC[C@@H]1CO1)c2ccccc2 62a_100000230085_100000745022 [0,1,0,1,0,0|1,0,0]=3 43948 B14R2.792 CC(SC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000230085 [0,1,0,1,0,0|1,0,0]=3 43949 B14R2.792 CN(CCC1CC1)c2ccccc2 2230a_100000210012_100000694398 [0,1,0,1,0,0|2,0,0]=4 43950 B14R2.792 CN(CCC1CC1)c2ccccc2 269982a_100000210012_100000694398 [0,1,0,1,0,0|2,0,0]=4 43951 B14R2.792 CN(CCC1CC1)c2ccccc2 34a_100000210012_100000694398 [0,1,0,1,0,0|2,0,0]=4 43952 B14R2.792 CN(CCC1CO1)c2ccccc2 2230a_100000210012_100000732470 [0,1,0,1,0,0|1,0,0]=3 43953 B14R2.792 CN(CCC1CO1)c2ccccc2 269982a_100000210012_100000732470 [0,1,0,1,0,0|1,0,0]=3 43954 B14R2.792 CN(CCC1CO1)c2ccccc2 34a_100000210012_100000732470 [0,1,0,1,0,0|1,0,0]=3 43955 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 2230a_100000751104_100000742324 [0,1,0,1,0,0|2,0,0]=4 43956 B14R2.792 C[C@@H](NCC1CC1)c2ccccc2 269862a_100000751104_100000741477 [0,1,0,1,0,0|2,0,0]=4 43957 B14R2.792 C[C@@H](NCC1CO1)c2ccccc2 2230a_100000751104_100011216344 [0,1,0,1,0,0|1,0,0]=3 43958 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 34a_100000761318_100000742324 [0,1,0,1,0,0|2,0,0]=4 43959 B14R2.792 C[C@@H](OCC1CC1)c2ccccc2 7a_100000761318_100000742324 [0,1,0,1,0,0|2,0,0]=4 43960 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 34a_100000761318_102125554688 [0,1,0,1,0,0|1,0,0]=3 43961 B14R2.792 C[C@@H](OCC1CO1)c2ccccc2 7a_100000761318_102125554688 [0,1,0,1,0,0|1,0,0]=3 43962 B14R2.792 C[C@@H](OCC1CS1)c2ccccc2 7a_100000761318_100000031435 [0,1,0,1,0,0|1,1,0]=4 43963 B14R2.792 C[C@@H](OC[C@@H]1CO1)c2ccccc2 7a_100000761318_100000745022 [0,1,0,1,0,0|1,0,0]=3 43964 B14R2.792 N[C@H](COC1CC1)c2ccccc2 34a_100000751927_100000211595 [0,1,0,1,0,0|2,0,0]=4 43965 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [0,1,0,1,0,0|1,0,1]=4 43966 B14R2.792 O=C(CCC1CO1)c2ccccc2 1458a_100000185807_100000732470 [0,1,0,1,0,0|0,0,1]=3 43967 B14R2.792 OC(CNC1CC1)c2ccccc2 34a_100000212008_100000185958 [0,1,0,1,0,0|2,0,0]=4 43968 B14R2.792 OC(CSC1CC1)c2ccccc2 62a_100000185958_100000211595 [0,1,0,1,0,0|2,0,0]=4 43969 B14R2.792 O[C@H](CNC1CC1)c2ccccc2 34a_100000212008_100011933945 [0,1,0,1,0,0|2,0,0]=4 43970 B14R2.792 O[C@H](CSC1CC1)c2ccccc2 62a_100011933945_100000211595 [0,1,0,1,0,0|2,0,0]=4 43971 B14R2.794 CC(CN1CCC1)c2ccccc2 269982a_100000754969_100000756946 [0,1,0,1,0,0|2,0,0]=4 43972 B14R2.794 CC(NC1CCC1)c2ccccc2 2230a_100000749019_100000230085 [0,1,0,1,0,0|2,0,0]=4 43973 B14R2.794 CC(NC1CCC1)c2ccccc2 269862a_100000749019_100000185851 [0,1,0,1,0,0|2,0,0]=4 43974 B14R2.794 CC(NC1CCC1)c2ccccc2 34a_100000749019_100000211855 [0,1,0,1,0,0|2,0,0]=4 43975 B14R2.794 CC(OC1CCC1)c2ccccc2 34a_100000748187_100000211855 [0,1,0,1,0,0|2,0,0]=4 43976 B14R2.794 CC(SC1CCC1)c2ccccc2 62a_100000230085_100000749161 [0,1,0,1,0,0|2,0,0]=4 43977 B14R2.794 CN(CC1CCC1)c2ccccc2 2230a_100000210012_100000763275 [0,1,0,1,0,0|2,0,0]=4 43978 B14R2.794 CN(CC1CCC1)c2ccccc2 269982a_100000210012_100000763275 [0,1,0,1,0,0|2,0,0]=4 43979 B14R2.794 CN(CC1CCC1)c2ccccc2 34a_100000210012_100000763275 [0,1,0,1,0,0|2,0,0]=4 43980 B14R2.794 CN(CC1CCO1)c2ccccc2 2230a_100000210012_100000103362 [0,1,0,1,0,0|1,0,0]=3 43981 B14R2.794 CN(CC1CCO1)c2ccccc2 269982a_100000210012_100000103362 [0,1,0,1,0,0|1,0,0]=3 43982 B14R2.794 CN(CC1CCO1)c2ccccc2 34a_100000210012_100000103362 [0,1,0,1,0,0|1,0,0]=3 43983 B14R2.794 C[C@@H](NC1CCC1)c2ccccc2 270004a_100000751104_100000241760 [0,1,0,1,0,0|2,0,0]=4 43984 B14R2.794 C[C@@H](OC1CCC1)c2ccccc2 34a_100000761318_100000749161 [0,1,0,1,0,0|2,0,0]=4 43985 B14R2.794 O=C(CC1CCC1)c2ccccc2 1458a_100000185807_100000763275 [0,1,0,1,0,0|1,0,1]=4 43986 B14R2.794 O=C(CC1CCO1)c2ccccc2 1458a_100000185807_100000103362 [0,1,0,1,0,0|0,0,1]=3 43987 B14R2.1131 CNC1CCC(c2c1cccc2)C 269862a_106832991636_100000689179 [0,1,0,1,0,0|2,0,0]=4 43988 B14R2.16538 C#CCCSC1Cc2c1cccc2 62a_100000688953_100009813401 [0,1,0,1,0,0|1,0,1]=4 43989 B14R2.16538 C#CCCSC1Cc2c1cccc2 62a_100009813401_100000688953 [0,1,0,1,0,0|1,0,1]=4 43990 B14R2.16538 C#CCOCC1Cc2c1cccc2 34a_100012476685_100000184674 [0,1,0,1,0,0|1,0,1]=4 43991 B14R2.16538 C#CCOCC1Cc2c1cccc2 7a_100012476685_100000038162 [0,1,0,1,0,0|1,0,1]=4 43992 B14R2.16538 C=CCCSC1Cc2c1cccc2 62a_100000754431_100009813401 [0,1,0,1,0,0|1,0,1]=4 43993 B14R2.16538 C=CCCSC1Cc2c1cccc2 62a_100009813401_100000754431 [0,1,0,1,0,0|1,0,1]=4 43994 B14R2.16538 C=CCOCC1Cc2c1cccc2 34a_100012476685_100015514636 [0,1,0,1,0,0|1,0,1]=4 43995 B14R2.16538 C=CCOCC1Cc2c1cccc2 7a_100012476685_100015514636 [0,1,0,1,0,0|1,0,1]=4 43996 B14R2.16538 CCCCNC1Cc2c1cccc2 7a_106832991798_100009813401 [0,1,0,1,0,0|1,0,0]=3 43997 B14R2.16538 CCCCOC1Cc2c1cccc2 7a_100000210227_100009813401 [0,1,0,1,0,0|1,0,0]=3 43998 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100000210211_100009813401 [0,1,0,1,0,0|1,0,0]=3 43999 B14R2.16538 CCCCSC1Cc2c1cccc2 62a_100009813401_100000210210 [0,1,0,1,0,0|1,0,0]=3 44000 B14R2.16538 CCCOCC1Cc2c1cccc2 34a_100012476685_100000210303 [0,1,0,1,0,0|1,0,0]=3 44001 B14R2.16538 CCCOCC1Cc2c1cccc2 7a_100012476685_100000210303 [0,1,0,1,0,0|1,0,0]=3 44002 B14R2.16538 CCOCSC1Cc2c1cccc2 62a_100000739092_100009813401 [0,1,0,1,0,0|2,0,0]=4 44003 B14R2.16538 CCOCSC1Cc2c1cccc2 62a_100009813401_100000739092 [0,1,0,1,0,0|2,0,0]=4 44004 B14R2.16538 COCCSC1Cc2c1cccc2 62a_100000233755_100009813401 [0,1,0,1,0,0|1,0,0]=3 44005 B14R2.16538 COCCSC1Cc2c1cccc2 62a_100009813401_100000233755 [0,1,0,1,0,0|1,0,0]=3 44006 B14R2.16538 CSCCOC1Cc2c1cccc2 7a_100000230434_100009813401 [0,1,0,1,0,0|1,1,0]=4 44007 B14R2.16538 CSCCSC1Cc2c1cccc2 62a_100000212216_100009813401 [0,1,0,1,0,0|1,1,0]=4 44008 B14R2.16538 CSCCSC1Cc2c1cccc2 62a_100009813401_100000751147 [0,1,0,1,0,0|1,1,0]=4 44009 B14R2.16538 CSCOCC1Cc2c1cccc2 34a_100012476685_100011218213 [0,1,0,1,0,0|1,1,0]=4 44010 B14R2.16538 FCCCSC1Cc2c1cccc2 62a_100009813401_100011934791 [0,1,0,1,0,0|1,0,0]=3 44011 B14R2.16538 FCCCSC1Cc2c1cccc2 62a_100011934791_100009813401 [0,1,0,1,0,0|1,0,0]=3 44012 B14R2.16538 FCCOCC1Cc2c1cccc2 34a_100012476685_100011217306 [0,1,0,1,0,0|1,0,0]=3 44013 B14R2.16538 FCCOCC1Cc2c1cccc2 7a_100012476685_100011217306 [0,1,0,1,0,0|1,0,0]=3 44014 B14R2.16538 N#CCCSC1Cc2c1cccc2 62a_100009813401_100011215226 [0,1,0,1,0,0|1,0,1]=4 44015 B14R2.16538 N#CCCSC1Cc2c1cccc2 62a_100011215226_100009813401 [0,1,0,1,0,0|1,0,1]=4 44016 B14R2.16538 N#CCOCC1Cc2c1cccc2 7a_100012476685_100011215382 [0,1,0,1,0,0|1,0,1]=4 44017 B14R2.16538 O=CCOCC1Cc2c1cccc2 34a_100012476685_200009817547 [0,1,0,1,0,0|0,0,2]=4 44018 B14R2.16538 O=CCOCC1Cc2c1cccc2 7a_100012476685_200015260668 [0,1,0,1,0,0|0,0,2]=4 44019 B14R2.16538 OCCCSC1Cc2c1cccc2 62a_100009813401_100011215043 [0,1,0,1,0,0|0,0,0]=2 44020 B14R2.16538 OCCCSC1Cc2c1cccc2 62a_100011215043_100009813401 [0,1,0,1,0,0|0,0,0]=2 44021 B14R2.16538 OCCNN=C1Cc2c1cccc2 4a_100000210001_100000051409 [0,1,0,1,0,0|1,0,1]=4 44022 B14R2.16538 OCCOCC1Cc2c1cccc2 34a_100012476685_100000211926 [0,1,0,1,0,0|0,0,0]=2 44023 B14R2.16538 OCCOCC1Cc2c1cccc2 7a_100012476685_100000211926 [0,1,0,1,0,0|0,0,0]=2 44024 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000038162 [0,1,0,1,0,0|1,0,1]=4 44025 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000184674 [0,1,0,1,0,0|1,0,1]=4 44026 B14R2.3 C#CCOC1CCc2c1cccc2 34a_100000212247_100000184674 [0,1,0,1,0,0|1,0,1]=4 44027 B14R2.3 C#CCOC1CCc2c1cccc2 7a_100000212247_100000038162 [0,1,0,1,0,0|1,0,1]=4 44028 B14R2.3 C#CCSC1CCc2c1cccc2 62a_100000038162_200000721974 [0,1,0,1,0,0|1,0,1]=4 44029 B14R2.3 C=CCNC1CCc2c1cccc2 2230a_100020586998_200000721974 [0,1,0,1,0,0|1,0,1]=4 44030 B14R2.3 C=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210623 [0,1,0,1,0,0|1,0,1]=4 44031 B14R2.3 C=CCN[C@H]1CCc2c1cccc2 34a_100016989578_100015514636 [0,1,0,1,0,0|1,0,1]=4 44032 B14R2.3 C=CCOC1CCc2c1cccc2 34a_100000212247_100015514636 [0,1,0,1,0,0|1,0,1]=4 44033 B14R2.3 C=CCOC1CCc2c1cccc2 7a_100000212247_100015514636 [0,1,0,1,0,0|1,0,1]=4 44034 B14R2.3 C=CCSC1CCc2c1cccc2 62a_100000210623_200000721974 [0,1,0,1,0,0|1,0,1]=4 44035 B14R2.3 CCCNC1CCc2c1cccc2 269862a_100020643023_100000212051 [0,1,0,1,0,0|1,0,0]=3 44036 B14R2.3 CCCNC1COc2c1cccc2 2230a_100000747519_100000210303 [0,1,0,1,0,0|2,0,0]=4 44037 B14R2.3 CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210303 [0,1,0,1,0,0|1,0,0]=3 44038 B14R2.3 CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210303 [0,1,0,1,0,0|1,0,0]=3 44039 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [0,1,0,1,0,0|1,0,0]=3 44040 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [0,1,0,1,0,0|1,0,0]=3 44041 B14R2.3 CCCSC1CCc2c1cccc2 62a_100000210303_200000721974 [0,1,0,1,0,0|1,0,0]=3 44042 B14R2.3 CCNCC1CCc2c1cccc2 2230a_100020632452_100000210202 [0,1,0,1,0,0|1,0,0]=3 44043 B14R2.3 CCNCC1CCc2c1cccc2 34a_100020632452_100000210202 [0,1,0,1,0,0|1,0,0]=3 44044 B14R2.3 CNCCN1CCc2c1cccc2 2230a_100000741946_200000210301 [0,1,0,1,0,0|2,0,0]=4 44045 B14R2.3 COCNC1COc2c1cccc2 2230a_100000747519_100000766300 [0,1,0,1,0,0|2,0,0]=4 44046 B14R2.3 COCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000766300 [0,1,0,1,0,0|1,0,0]=3 44047 B14R2.3 COCSC1CCc2c1cccc2 62a_100000766300_200000721974 [0,1,0,1,0,0|1,0,0]=3 44048 B14R2.3 CSCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011218213 [0,1,0,1,0,0|1,1,0]=4 44049 B14R2.3 CSCN[C@H]1CCc2c1cccc2 34a_100016989578_100011218213 [0,1,0,1,0,0|1,1,0]=4 44050 B14R2.3 CSCOC1CCc2c1cccc2 34a_100000212247_100011218213 [0,1,0,1,0,0|1,1,0]=4 44051 B14R2.3 CSCSC1CCc2c1cccc2 62a_100011218213_200000721974 [0,1,0,1,0,0|1,1,0]=4 44052 B14R2.3 FCCNC1CCc2c1cccc2 269862a_100000724931_100000212051 [0,1,0,1,0,0|1,0,0]=3 44053 B14R2.3 FCCNC1COc2c1cccc2 2230a_100000747519_100011217306 [0,1,0,1,0,0|2,0,0]=4 44054 B14R2.3 FCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011217306 [0,1,0,1,0,0|1,0,0]=3 44055 B14R2.3 FCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011217306 [0,1,0,1,0,0|1,0,0]=3 44056 B14R2.3 FCCOC1CCc2c1cccc2 34a_100000212247_100011217306 [0,1,0,1,0,0|1,0,0]=3 44057 B14R2.3 FCCOC1CCc2c1cccc2 7a_100000212247_100011217306 [0,1,0,1,0,0|1,0,0]=3 44058 B14R2.3 FCCSC1CCc2c1cccc2 62a_100011217306_200000721974 [0,1,0,1,0,0|1,0,0]=3 44059 B14R2.3 FCNCC1CCc2c1cccc2 34a_100020632452_100015361967 [0,1,0,1,0,0|1,0,0]=3 44060 B14R2.3 N#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215382 [0,1,0,1,0,0|1,0,1]=4 44061 B14R2.3 N#CCOC1CCc2c1cccc2 7a_100000212247_100011215382 [0,1,0,1,0,0|1,0,1]=4 44062 B14R2.3 N#CCSC1CCc2c1cccc2 62a_100011215382_200000721974 [0,1,0,1,0,0|1,0,1]=4 44063 B14R2.3 O=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_200015260668 [0,1,0,1,0,0|0,0,2]=4 44064 B14R2.3 O=CCN[C@H]1CCc2c1cccc2 34a_100016989578_200009817547 [0,1,0,1,0,0|0,0,2]=4 44065 B14R2.3 O=CCOC1CCc2c1cccc2 34a_100000212247_200009817547 [0,1,0,1,0,0|0,0,2]=4 44066 B14R2.3 O=CCOC1CCc2c1cccc2 7a_100000212247_200015260668 [0,1,0,1,0,0|0,0,2]=4 44067 B14R2.3 O=CCSC1CCc2c1cccc2 62a_200015260668_200000721974 [0,1,0,1,0,0|0,0,2]=4 44068 B14R2.3 OCCNC1CCc2c1cccc2 2230a_100016997473_200000721974 [0,1,0,1,0,0|0,0,0]=2 44069 B14R2.3 OCCNC1CCc2c1cccc2 269862a_100000210304_100000212051 [0,1,0,1,0,0|0,0,0]=2 44070 B14R2.3 OCCNC1COc2c1cccc2 2230a_100000747519_100000211926 [0,1,0,1,0,0|1,0,0]=3 44071 B14R2.3 OCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000211926 [0,1,0,1,0,0|0,0,0]=2 44072 B14R2.3 OCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000211926 [0,1,0,1,0,0|0,0,0]=2 44073 B14R2.3 OCCOC1CCc2c1cccc2 34a_100000212247_100000211926 [0,1,0,1,0,0|0,0,0]=2 44074 B14R2.3 OCCOC1CCc2c1cccc2 7a_100000212247_100000211926 [0,1,0,1,0,0|0,0,0]=2 44075 B14R2.3 OCCSC1CCc2c1cccc2 62a_100000211926_200000721974 [0,1,0,1,0,0|0,0,0]=2 44076 B14R2.3 [13CH3]NCCN1CCc2c1cccc2 2230a_100000741946_200025704644 [0,1,0,1,0,0|2,0,0]=4 44077 B14R2.6 C1=CC(CCC1)Oc2ccccc2 7a_100000210340_100000751183 [0,1,0,1,0,0|1,0,1]=4 44078 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000719477_100000751183 [0,1,0,1,0,0|1,0,1]=4 44079 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000751183_100000041952 [0,1,0,1,0,0|1,0,1]=4 44080 B14R2.6 c1cc(ccn1)CN2CCCOC2 2230a_100000131196_100015193705 [0,1,0,1,0,0|2,0,0]=4 44081 B14R2.6 c1cc(ccn1)CN2CCCOC2 269982a_100000131196_100015193705 [0,1,0,1,0,0|2,0,0]=4 44082 B14R2.6 c1cc(ccn1)OC2CCCCC2 34a_100000212176_100000210327 [0,1,0,1,0,0|2,0,0]=4 44083 B14R2.6 c1cc(ccn1)OC2CCCOC2 34a_100000212176_100000693364 [0,1,0,1,0,0|2,0,0]=4 44084 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000210327_100000728582 [0,1,0,1,0,0|2,0,0]=4 44085 B14R2.6 c1cc(ccn1)SC2CCCCC2 62a_100000728582_100000210327 [0,1,0,1,0,0|2,0,0]=4 44086 B14R2.6 c1cc(ccn1)SC2CCCOC2 62a_100000728582_100000693364 [0,1,0,1,0,0|2,0,0]=4 44087 B14R2.6 c1ccc(cc1)CN2CCCOC2 2230a_100000131196_100015291786 [0,1,0,1,0,0|1,0,0]=3 44088 B14R2.6 c1ccc(cc1)CN2CCCOC2 269982a_100000131196_100000211182 [0,1,0,1,0,0|1,0,0]=3 44089 B14R2.6 c1ccc(cc1)CN2CCCOC2 270004a_100000131196_100015611070 [0,1,0,1,0,0|1,0,0]=3 44090 B14R2.6 c1ccc(cc1)CN2CCCOC2 34a_100000131196_100015291786 [0,1,0,1,0,0|1,0,0]=3 44091 B14R2.6 c1ccc(cc1)CN2CCOCC2 2230a_100015191051_100015291786 [0,1,0,1,0,0|2,0,0]=4 44092 B14R2.6 c1ccc(cc1)CN2CCOCC2 269982a_100015191051_100000211182 [0,1,0,1,0,0|2,0,0]=4 44093 B14R2.6 c1ccc(cc1)CN2CCOCC2 270004a_100015191051_100015611070 [0,1,0,1,0,0|2,0,0]=4 44094 B14R2.6 c1ccc(cc1)CN2CCOCC2 34a_100015191051_100015291786 [0,1,0,1,0,0|2,0,0]=4 44095 B14R2.6 c1ccc(cc1)CN2CCSCC2 2230a_100000737611_100015291786 [0,1,0,1,0,0|2,0,0]=4 44096 B14R2.6 c1ccc(cc1)CN2CCSCC2 269982a_100000737611_100000211182 [0,1,0,1,0,0|2,0,0]=4 44097 B14R2.6 c1ccc(cc1)CN2CCSCC2 270004a_100000737611_100015611070 [0,1,0,1,0,0|2,0,0]=4 44098 B14R2.6 c1ccc(cc1)NC2CCCCC2 34a_100000106764_100000210327 [0,1,0,1,0,0|1,0,0]=3 44099 B14R2.6 c1ccc(cc1)NC2CCCOC2 34a_100000106764_100000693364 [0,1,0,1,0,0|1,0,0]=3 44100 B14R2.6 c1ccc(cc1)NC2CCSCC2 34a_100000106764_100000069128 [0,1,0,1,0,0|2,0,0]=4 44101 B14R2.6 c1ccc(cc1)OC2CCCCC2 34a_100000210340_100000210327 [0,1,0,1,0,0|1,0,0]=3 44102 B14R2.6 c1ccc(cc1)OC2CCCCC2 7a_100000210340_100000210327 [0,1,0,1,0,0|1,0,0]=3 44103 B14R2.6 c1ccc(cc1)OC2CCCOC2 34a_100000210340_100000693364 [0,1,0,1,0,0|1,0,0]=3 44104 B14R2.6 c1ccc(cc1)OC2CCCOC2 7a_100000210340_100000693364 [0,1,0,1,0,0|1,0,0]=3 44105 B14R2.6 c1ccc(cc1)OC2CCOCC2 7a_100000210340_100000686592 [0,1,0,1,0,0|2,0,0]=4 44106 B14R2.6 c1ccc(cc1)OC2CCSCC2 34a_100000210340_100000069128 [0,1,0,1,0,0|2,0,0]=4 44107 B14R2.6 c1ccc(cc1)OC2CCSCC2 7a_100000210340_100011500858 [0,1,0,1,0,0|2,0,0]=4 44108 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000210327_100000041952 [0,1,0,1,0,0|1,0,0]=3 44109 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000719477_100000210327 [0,1,0,1,0,0|1,0,0]=3 44110 B14R2.6 c1ccc(cc1)SC2CCCOC2 62a_100000719477_100000693364 [0,1,0,1,0,0|1,0,0]=3 44111 B14R2.6 c1ccc(cc1)SC2CCOCC2 62a_100000719477_100011324220 [0,1,0,1,0,0|2,0,0]=4 44112 B14R2.6 c1ccc(cc1)SC2CCSCC2 62a_100000719477_100000069128 [0,1,0,1,0,0|2,0,0]=4 44113 B14R2.6 c1ccc(nc1)CN2CCCOC2 2230a_100000131196_100000721315 [0,1,0,1,0,0|2,0,0]=4 44114 B14R2.6 c1ccc(nc1)CN2CCCOC2 269982a_100000131196_100000721315 [0,1,0,1,0,0|2,0,0]=4 44115 B14R2.6 c1ccc(nc1)CN2CCCOC2 270004a_100000131196_100000209966 [0,1,0,1,0,0|2,0,0]=4 44116 B14R2.6 c1ccc(nc1)CN2CCCOC2 34a_100000131196_100000721315 [0,1,0,1,0,0|2,0,0]=4 44117 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100000210327_100011216584 [0,1,0,1,0,0|2,0,0]=4 44118 B14R2.6 c1ccc(nc1)SC2CCCCC2 62a_100011216584_100000210327 [0,1,0,1,0,0|2,0,0]=4 44119 B14R2.6 c1ccc(nc1)SC2CCCOC2 62a_100011216584_100000693364 [0,1,0,1,0,0|2,0,0]=4 44120 B14R2.6 c1cncc(c1)CN2CCCOC2 2230a_100000131196_100000741622 [0,1,0,1,0,0|2,0,0]=4 44121 B14R2.6 c1cncc(c1)CN2CCCOC2 269982a_100000131196_100000733263 [0,1,0,1,0,0|2,0,0]=4 44122 B14R2.6 c1cncc(c1)CN2CCCOC2 270004a_100000131196_100000209961 [0,1,0,1,0,0|2,0,0]=4 44123 B14R2.6 c1cncc(c1)CN2CCCOC2 34a_100000131196_100000733263 [0,1,0,1,0,0|2,0,0]=4 44124 B14R2.6 c1cncc(c1)OC2CCCCC2 34a_100000210849_100000210327 [0,1,0,1,0,0|2,0,0]=4 44125 B14R2.6 c1cncc(c1)OC2CCCCC2 7a_100000210849_100000210327 [0,1,0,1,0,0|2,0,0]=4 44126 B14R2.6 c1cncc(c1)OC2CCCOC2 34a_100000210849_100000693364 [0,1,0,1,0,0|2,0,0]=4 44127 B14R2.6 c1cncc(c1)OC2CCCOC2 7a_100000210849_100000693364 [0,1,0,1,0,0|2,0,0]=4 44128 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210063_100000210327 [0,1,0,1,0,0|2,0,0]=4 44129 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210327_100000210063 [0,1,0,1,0,0|2,0,0]=4 44130 B14R2.6 c1cncc(c1)SC2CCCOC2 62a_100000210063_100000693364 [0,1,0,1,0,0|2,0,0]=4 44131 B14R2.14 CCN1CCCC1c2ccccc2 2230a_100000243309_100000210202 [0,1,0,1,0,0|1,0,0]=3 44132 B14R2.14 CCN1CCCC1c2ccccc2 269982a_100000243309_100000204670 [0,1,0,1,0,0|1,0,0]=3 44133 B14R2.14 CCN1CCCC1c2ccccc2 34a_100000243309_100000210202 [0,1,0,1,0,0|1,0,0]=3 44134 B14R2.14 CCN1CCCC1c2ccccn2 2230a_100000744244_100000210202 [0,1,0,1,0,0|2,0,0]=4 44135 B14R2.14 CCN1CCCC1c2ccccn2 269982a_100000744244_100000204670 [0,1,0,1,0,0|2,0,0]=4 44136 B14R2.14 CCN1CCCC1c2cccnc2 2230a_100000233489_100000210202 [0,1,0,1,0,0|2,0,0]=4 44137 B14R2.14 CCN1CCCC1c2cccnc2 269982a_100000233489_100000204670 [0,1,0,1,0,0|2,0,0]=4 44138 B14R2.14 CCN1CCCC1c2ccncc2 2230a_106446545576_100000210202 [0,1,0,1,0,0|2,0,0]=4 44139 B14R2.14 CCN1CCCC1c2ccncc2 269982a_106446545576_100000204670 [0,1,0,1,0,0|2,0,0]=4 44140 B14R2.14 CCN1CCSC1c2ccccc2 2230a_100000215944_100000210202 [0,1,0,1,0,0|2,0,0]=4 44141 B14R2.14 CCN1CCSC1c2ccccc2 269982a_100000215944_100000204670 [0,1,0,1,0,0|2,0,0]=4 44142 B14R2.14 CCN1CCSC1c2ccccc2 34a_100000215944_100000210202 [0,1,0,1,0,0|2,0,0]=4 44143 B14R2.14 CCN1CCSC1c2ccccc2 7a_100000215944_100000210202 [0,1,0,1,0,0|2,0,0]=4 44144 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,1,0,1,0,0|1,0,0]=3 44145 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,1,0,1,0,0|1,0,0]=3 44146 B14R2.14 COC1COCC1c2ccccc2 34a_100010739164_200000210301 [0,1,0,1,0,0|1,0,0]=3 44147 B14R2.14 COC1COCC1c2ccccc2 7a_100010739164_200000210301 [0,1,0,1,0,0|1,0,0]=3 44148 B14R2.14 FCN1CCCC1c2ccccc2 269982a_100000243309_100015361967 [0,1,0,1,0,0|1,0,0]=3 44149 B14R2.14 FCN1CCCC1c2ccccc2 34a_100000243309_100015361967 [0,1,0,1,0,0|1,0,0]=3 44150 B14R2.14 FCN1CCCC1c2ccccn2 269982a_100000744244_100015361967 [0,1,0,1,0,0|2,0,0]=4 44151 B14R2.14 FCN1CCCC1c2cccnc2 269982a_100000233489_100015361967 [0,1,0,1,0,0|2,0,0]=4 44152 B14R2.14 FCN1CCCC1c2ccncc2 269982a_106446545576_100015361967 [0,1,0,1,0,0|2,0,0]=4 44153 B14R2.14 FCN1CCSC1c2ccccc2 269982a_100000215944_100015361967 [0,1,0,1,0,0|2,0,0]=4 44154 B14R2.14 FCN1CCSC1c2ccccc2 34a_100000215944_100015361967 [0,1,0,1,0,0|2,0,0]=4 44155 B14R2.14 FCN1CCSC1c2ccccc2 7a_100000215944_100015361967 [0,1,0,1,0,0|2,0,0]=4 44156 B14R2.14 OC[C@H]1CCCN1c2cccnn2 27a_100000745186_100016991348 [0,1,0,1,0,0|2,0,0]=4 44157 B14R2.14 OC[C@H]1CCCN1c2ccncn2 27a_100000745186_100000703185 [0,1,0,1,0,0|2,0,0]=4 44158 B14R2.14 OC[C@H]1CCCN1c2cnccn2 27a_100000745186_100000211759 [0,1,0,1,0,0|2,0,0]=4 44159 B14R2.14 OC[C@H]1CCCN1c2ncccn2 27a_100000745186_100000211032 [0,1,0,1,0,0|2,0,0]=4 44160 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,1,0,1,0,0|1,0,0]=3 44161 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,1,0,1,0,0|1,0,0]=3 44162 B14R2.14 [13CH3]OC1COCC1c2ccccc2 34a_100010739164_200025704644 [0,1,0,1,0,0|1,0,0]=3 44163 B14R2.14 [13CH3]OC1COCC1c2ccccc2 7a_100010739164_200025704644 [0,1,0,1,0,0|1,0,0]=3 44164 B14R2.24 Brc1ccccc1C2=CCCCC2 271570a_100000062251_100000695589 [0,1,0,1,0,0|1,0,1]=4 44165 B14R2.24 Brc1ccccc1C2=CCCCO2 271570a_100010177797_100000695589 [0,1,0,1,0,0|0,0,2]=4 44166 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [0,1,0,1,0,0|1,0,0]=3 44167 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [0,1,0,1,0,0|1,0,0]=3 44168 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [0,1,0,1,0,0|1,0,0]=3 44169 B14R2.24 CN1CCCCC1c2ccccn2 2230a_100015185292_200000210301 [0,1,0,1,0,0|2,0,0]=4 44170 B14R2.24 CN1CCCCC1c2ccccn2 269982a_100015185292_200000210301 [0,1,0,1,0,0|2,0,0]=4 44171 B14R2.24 CN1CCCCC1c2cccnc2 2230a_100000723942_200000210301 [0,1,0,1,0,0|2,0,0]=4 44172 B14R2.24 CN1CCCCC1c2cccnc2 269982a_100000723942_200000210301 [0,1,0,1,0,0|2,0,0]=4 44173 B14R2.24 CN1CCOCC1c2ccccc2 2230a_100000765270_200000210301 [0,1,0,1,0,0|2,0,0]=4 44174 B14R2.24 CN1CCOCC1c2ccccc2 269982a_100000765270_200000210301 [0,1,0,1,0,0|2,0,0]=4 44175 B14R2.24 CN1CCOCC1c2ccccc2 34a_100000765270_200000210301 [0,1,0,1,0,0|2,0,0]=4 44176 B14R2.24 CN1CCSCC1c2ccccc2 2230a_102495339932_200000210301 [0,1,0,1,0,0|2,0,0]=4 44177 B14R2.24 CN1CCSCC1c2ccccc2 269982a_102495339932_200000210301 [0,1,0,1,0,0|2,0,0]=4 44178 B14R2.24 CN1CCSCC1c2ccccc2 7a_102495339932_200000210301 [0,1,0,1,0,0|2,0,0]=4 44179 B14R2.24 Cc1ccccc1C2=CCCCC2 271570a_100000062251_100000210755 [0,1,0,1,0,0|1,0,1]=4 44180 B14R2.24 Cc1ccccc1C2=CCCCO2 271570a_100010177797_100000210755 [0,1,0,1,0,0|0,0,2]=4 44181 B14R2.24 Clc1ccccc1C2=CCCCC2 271570a_100000062251_100000764095 [0,1,0,1,0,0|1,0,1]=4 44182 B14R2.24 Clc1ccccc1C2=CCCCO2 271570a_100010177797_100000764095 [0,1,0,1,0,0|0,0,2]=4 44183 B14R2.24 Fc1ccccc1C2=CCCCC2 271570a_100000062251_100011215700 [0,1,0,1,0,0|1,0,1]=4 44184 B14R2.24 Fc1ccccc1C2=CCCCO2 271570a_100010177797_100011215700 [0,1,0,1,0,0|0,0,2]=4 44185 B14R2.24 Nc1ccccc1C2=CCCCC2 271570a_100000062251_100000210017 [0,1,0,1,0,0|1,0,1]=4 44186 B14R2.24 Nc1ccccc1C2=CCCCO2 271570a_100010177797_100000210017 [0,1,0,1,0,0|0,0,2]=4 44187 B14R2.24 Oc1ccccc1B2OCCCO2 271570a_203496583355_103437846672 [0,1,0,1,0,0|2,0,0]=4 44188 B14R2.24 Oc1ccccc1C2=CCCCC2 271570a_100000062251_100000739446 [0,1,0,1,0,0|1,0,1]=4 44189 B14R2.24 Oc1ccccc1C2=CCCCO2 271570a_100010177797_100000739446 [0,1,0,1,0,0|0,0,2]=4 44190 B14R2.24 Oc1ccccc1C2CCCCC2 271570a_203496583355_200009813743 [0,1,0,1,0,0|1,0,0]=3 44191 B14R2.24 Oc1ccccc1C2CCCCN2 271570a_203496583355_100010004825 [0,1,0,1,0,0|1,0,0]=3 44192 B14R2.24 Oc1ccccc1C2CNCCN2 271570a_203496583355_200010178367 [0,1,0,1,0,0|2,0,0]=4 44193 B14R2.24 Oc1ccccc1N2CCCCC2 271570a_203496583355_100159312943 [0,1,0,1,0,0|2,0,0]=4 44194 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [0,1,0,1,0,0|1,0,0]=3 44195 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [0,1,0,1,0,0|1,0,0]=3 44196 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [0,1,0,1,0,0|1,0,0]=3 44197 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 2230a_100015185292_200025704644 [0,1,0,1,0,0|2,0,0]=4 44198 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 269982a_100015185292_200025704644 [0,1,0,1,0,0|2,0,0]=4 44199 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 2230a_100000723942_200025704644 [0,1,0,1,0,0|2,0,0]=4 44200 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 269982a_100000723942_200025704644 [0,1,0,1,0,0|2,0,0]=4 44201 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 2230a_100000765270_200025704644 [0,1,0,1,0,0|2,0,0]=4 44202 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 269982a_100000765270_200025704644 [0,1,0,1,0,0|2,0,0]=4 44203 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 34a_100000765270_200025704644 [0,1,0,1,0,0|2,0,0]=4 44204 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 2230a_102495339932_200025704644 [0,1,0,1,0,0|2,0,0]=4 44205 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 269982a_102495339932_200025704644 [0,1,0,1,0,0|2,0,0]=4 44206 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 7a_102495339932_200025704644 [0,1,0,1,0,0|2,0,0]=4 44207 B14R2.30 CC1SCCN1Cc2ccccc2 2230a_200011216479_100015291786 [0,1,0,1,0,0|2,0,0]=4 44208 B14R2.30 CC1SCCN1Cc2ccccc2 269982a_200011216479_100000211182 [0,1,0,1,0,0|2,0,0]=4 44209 B14R2.30 CC1SCCN1Cc2ccccc2 270004a_200011216479_100015611070 [0,1,0,1,0,0|2,0,0]=4 44210 B14R2.30 CC1SCCN1Cc2ccccc2 34a_200011216479_100015291786 [0,1,0,1,0,0|2,0,0]=4 44211 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [0,1,0,1,0,0|1,0,0]=3 44212 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [0,1,0,1,0,0|1,0,0]=3 44213 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [0,1,0,1,0,0|1,0,0]=3 44214 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 2230a_100015189458_100015291786 [0,1,0,1,0,0|1,0,0]=3 44215 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 269982a_100015189458_100000211182 [0,1,0,1,0,0|1,0,0]=3 44216 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 270004a_100015189458_100015611070 [0,1,0,1,0,0|1,0,0]=3 44217 B14R2.30 C[C@@H]1CCCN1Cc2ccccc2 34a_100015189458_100015291786 [0,1,0,1,0,0|1,0,0]=3 44218 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 2230a_100015189458_100000721315 [0,1,0,1,0,0|2,0,0]=4 44219 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 269982a_100015189458_100000721315 [0,1,0,1,0,0|2,0,0]=4 44220 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 270004a_100015189458_100000209966 [0,1,0,1,0,0|2,0,0]=4 44221 B14R2.30 C[C@@H]1CCCN1Cc2ccccn2 34a_100015189458_100000721315 [0,1,0,1,0,0|2,0,0]=4 44222 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 2230a_100015189458_100000741622 [0,1,0,1,0,0|2,0,0]=4 44223 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 269982a_100015189458_100000733263 [0,1,0,1,0,0|2,0,0]=4 44224 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 270004a_100015189458_100000209961 [0,1,0,1,0,0|2,0,0]=4 44225 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 34a_100015189458_100000733263 [0,1,0,1,0,0|2,0,0]=4 44226 B14R2.30 C[C@@H]1CCCN1Cc2ccncc2 2230a_100015189458_100015193705 [0,1,0,1,0,0|2,0,0]=4 44227 B14R2.30 C[C@@H]1CCCN1Cc2ccncc2 269982a_100015189458_100015193705 [0,1,0,1,0,0|2,0,0]=4 44228 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 2230a_100020605311_100015291786 [0,1,0,1,0,0|1,0,0]=3 44229 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 269982a_100020605311_100000211182 [0,1,0,1,0,0|1,0,0]=3 44230 B14R2.30 C[C@H]1CCCN1Cc2ccccc2 270004a_100020605311_100015611070 [0,1,0,1,0,0|1,0,0]=3 44231 B14R2.30 C[C@H]1CCCN1Cc2ccccn2 2230a_100020605311_100000721315 [0,1,0,1,0,0|2,0,0]=4 44232 B14R2.30 C[C@H]1CCCN1Cc2ccccn2 269982a_100020605311_100000721315 [0,1,0,1,0,0|2,0,0]=4 44233 B14R2.30 C[C@H]1CCCN1Cc2ccccn2 270004a_100020605311_100000209966 [0,1,0,1,0,0|2,0,0]=4 44234 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 2230a_100020605311_100000741622 [0,1,0,1,0,0|2,0,0]=4 44235 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 269982a_100020605311_100000733263 [0,1,0,1,0,0|2,0,0]=4 44236 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 270004a_100020605311_100000209961 [0,1,0,1,0,0|2,0,0]=4 44237 B14R2.30 C[C@H]1CCCN1Cc2ccncc2 2230a_100020605311_100015193705 [0,1,0,1,0,0|2,0,0]=4 44238 B14R2.30 C[C@H]1CCCN1Cc2ccncc2 269982a_100020605311_100015193705 [0,1,0,1,0,0|2,0,0]=4 44239 B14R2.30 O=C1CCCC1Nc2ccccc2 34a_100000106764_100000709159 [0,1,0,1,0,0|0,0,2]=4 44240 B14R2.30 O=C1CCCC1Oc2ccccc2 34a_100000210340_100000709159 [0,1,0,1,0,0|0,0,2]=4 44241 B14R2.30 O=C1CCCC1Oc2ccccc2 7a_100000210340_100000211823 [0,1,0,1,0,0|0,0,2]=4 44242 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000211823_100000041952 [0,1,0,1,0,0|0,0,2]=4 44243 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000719477_100000211823 [0,1,0,1,0,0|0,0,2]=4 44244 B14R2.30 OC1COCC1Nc2ccccc2 34a_100000106764_200000725654 [0,1,0,1,0,0|1,0,0]=3 44245 B14R2.30 OC1COCC1Oc2ccccc2 34a_100000210340_200000725654 [0,1,0,1,0,0|1,0,0]=3 44246 B14R2.30 OC1COCC1Oc2ccccc2 7a_100000210340_200000725654 [0,1,0,1,0,0|1,0,0]=3 44247 B14R2.30 OC1COCC1Oc2cccnc2 34a_100000210849_200000725654 [0,1,0,1,0,0|2,0,0]=4 44248 B14R2.30 OC1COCC1Oc2cccnc2 7a_100000210849_200000725654 [0,1,0,1,0,0|2,0,0]=4 44249 B14R2.30 OC1COCC1Oc2ccncc2 34a_100000212176_200000725654 [0,1,0,1,0,0|2,0,0]=4 44250 B14R2.30 OC1COCC1Sc2ccccc2 62a_100000719477_200000725654 [0,1,0,1,0,0|1,0,0]=3 44251 B14R2.30 OC1COCC1Sc2ccccc2 62a_200000725654_100000041952 [0,1,0,1,0,0|1,0,0]=3 44252 B14R2.30 OC1COCC1Sc2ccccn2 62a_100011216584_200000725654 [0,1,0,1,0,0|2,0,0]=4 44253 B14R2.30 OC1COCC1Sc2ccccn2 62a_200000725654_100011216584 [0,1,0,1,0,0|2,0,0]=4 44254 B14R2.30 OC1COCC1Sc2cccnc2 62a_100000210063_200000725654 [0,1,0,1,0,0|2,0,0]=4 44255 B14R2.30 OC1COCC1Sc2cccnc2 62a_200000725654_100000210063 [0,1,0,1,0,0|2,0,0]=4 44256 B14R2.30 OC1COCC1Sc2ccncc2 62a_100000728582_200000725654 [0,1,0,1,0,0|2,0,0]=4 44257 B14R2.30 OC1COCC1Sc2ccncc2 62a_200000725654_100000728582 [0,1,0,1,0,0|2,0,0]=4 44258 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 62a_100000719477_200016002552 [0,1,0,1,0,0|0,0,0]=2 44259 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 62a_200016002552_100000041952 [0,1,0,1,0,0|0,0,0]=2 44260 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccn2 62a_100011216584_200016002552 [0,1,0,1,0,0|1,0,0]=3 44261 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccn2 62a_200016002552_100011216584 [0,1,0,1,0,0|1,0,0]=3 44262 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnc2 62a_100000210063_200016002552 [0,1,0,1,0,0|1,0,0]=3 44263 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnc2 62a_200016002552_100000210063 [0,1,0,1,0,0|1,0,0]=3 44264 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnn2 62a_100016991348_200016002552 [0,1,0,1,0,0|2,0,0]=4 44265 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnn2 62a_200016002552_100016991348 [0,1,0,1,0,0|2,0,0]=4 44266 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccncc2 62a_100000728582_200016002552 [0,1,0,1,0,0|1,0,0]=3 44267 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccncc2 62a_200016002552_100000728582 [0,1,0,1,0,0|1,0,0]=3 44268 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccncn2 62a_100000703185_200016002552 [0,1,0,1,0,0|2,0,0]=4 44269 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccncn2 62a_200016002552_100000703185 [0,1,0,1,0,0|2,0,0]=4 44270 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccnnc2 62a_100000732662_200016002552 [0,1,0,1,0,0|2,0,0]=4 44271 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccnnc2 62a_200016002552_100000732662 [0,1,0,1,0,0|2,0,0]=4 44272 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 62a_100000211759_200016002552 [0,1,0,1,0,0|2,0,0]=4 44273 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 62a_200016002552_100000211759 [0,1,0,1,0,0|2,0,0]=4 44274 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cncnc2 62a_100011206942_200016002552 [0,1,0,1,0,0|2,0,0]=4 44275 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cncnc2 62a_200016002552_100011206942 [0,1,0,1,0,0|2,0,0]=4 44276 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ncccn2 62a_100000211032_200016002552 [0,1,0,1,0,0|2,0,0]=4 44277 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ncccn2 62a_200016002552_100000211032 [0,1,0,1,0,0|2,0,0]=4 44278 B14R2.30 O[C@H]1CCC[C@@H]1Nc2cccnn2 27a_100000748460_100016991348 [0,1,0,1,0,0|2,0,0]=4 44279 B14R2.30 O[C@H]1CCC[C@@H]1Nc2ccncn2 27a_100000748460_100000703185 [0,1,0,1,0,0|2,0,0]=4 44280 B14R2.30 O[C@H]1CCC[C@@H]1Nc2cnccn2 27a_100000748460_100000211759 [0,1,0,1,0,0|2,0,0]=4 44281 B14R2.30 O[C@H]1CCC[C@@H]1Nc2ncccn2 27a_100000748460_100000211032 [0,1,0,1,0,0|2,0,0]=4 44282 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [0,1,0,1,0,0|1,0,0]=3 44283 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [0,1,0,1,0,0|1,0,0]=3 44284 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [0,1,0,1,0,0|1,0,0]=3 44285 B14R2.31 CC1CCN1CCc2ccccc2 269982a_100000755817_100000765856 [0,1,0,1,0,0|1,0,0]=3 44286 B14R2.31 CC1CCN1CCc2ccccc2 34a_100000755817_100000765856 [0,1,0,1,0,0|1,0,0]=3 44287 B14R2.31 CC1CCN1CCc2ccccn2 269982a_100000755817_100015183660 [0,1,0,1,0,0|2,0,0]=4 44288 B14R2.31 CC1CCN1CCc2cccnc2 269982a_100000755817_200011713674 [0,1,0,1,0,0|2,0,0]=4 44289 B14R2.31 CC1CCN1CCc2ccncc2 269982a_100000755817_100000723409 [0,1,0,1,0,0|2,0,0]=4 44290 B14R2.31 CC1CCN1CSc2ccccc2 269982a_100000755817_100011218342 [0,1,0,1,0,0|2,0,0]=4 44291 B14R2.31 O=C1CCC1NCc2ccccc2 34a_100015324214_100009892977 [0,1,0,1,0,0|0,0,2]=4 44292 B14R2.31 O=C1CCC1OCc2ccccc2 34a_100000210790_100009892977 [0,1,0,1,0,0|0,0,2]=4 44293 B14R2.31 O=C1CCC1OCc2ccccc2 7a_100000210790_100009892977 [0,1,0,1,0,0|0,0,2]=4 44294 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100000211182_100009892977 [0,1,0,1,0,0|0,0,2]=4 44295 B14R2.31 O=C1CCC1SCc2ccccc2 62a_100009892977_100015291786 [0,1,0,1,0,0|0,0,2]=4 44296 B14R2.33 C#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000038162 [0,1,0,1,0,0|1,0,1]=4 44297 B14R2.33 C#CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000184674 [0,1,0,1,0,0|1,0,1]=4 44298 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210623 [0,1,0,1,0,0|1,0,1]=4 44299 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210623 [0,1,0,1,0,0|1,0,1]=4 44300 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015514636 [0,1,0,1,0,0|1,0,1]=4 44301 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210303 [0,1,0,1,0,0|1,0,0]=3 44302 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210303 [0,1,0,1,0,0|1,0,0]=3 44303 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210303 [0,1,0,1,0,0|1,0,0]=3 44304 B14R2.33 COCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000766300 [0,1,0,1,0,0|1,0,0]=3 44305 B14R2.33 COCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000766300 [0,1,0,1,0,0|1,0,0]=3 44306 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011218213 [0,1,0,1,0,0|1,1,0]=4 44307 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011218213 [0,1,0,1,0,0|1,1,0]=4 44308 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011218213 [0,1,0,1,0,0|1,1,0]=4 44309 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011217306 [0,1,0,1,0,0|1,0,0]=3 44310 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011217306 [0,1,0,1,0,0|1,0,0]=3 44311 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011217306 [0,1,0,1,0,0|1,0,0]=3 44312 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011215382 [0,1,0,1,0,0|1,0,1]=4 44313 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011214920 [0,1,0,1,0,0|1,0,1]=4 44314 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200015260668 [0,1,0,1,0,0|0,0,2]=4 44315 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200015260668 [0,1,0,1,0,0|0,0,2]=4 44316 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_200009817547 [0,1,0,1,0,0|0,0,2]=4 44317 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000211926 [0,1,0,1,0,0|0,0,0]=2 44318 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000211926 [0,1,0,1,0,0|0,0,0]=2 44319 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000211926 [0,1,0,1,0,0|0,0,0]=2 44320 B14R2.35 C#CCN1CCC1c2ccccc2 2230a_100000739605_100000038162 [0,1,0,1,0,0|1,0,1]=4 44321 B14R2.35 C=CCN1CCC1c2ccccc2 2230a_100000739605_100000210623 [0,1,0,1,0,0|1,0,1]=4 44322 B14R2.35 C=CCN1CCC1c2ccccc2 269982a_100000739605_100000210623 [0,1,0,1,0,0|1,0,1]=4 44323 B14R2.35 CCCN1CCC1c2ccccc2 2230a_100000739605_100000210303 [0,1,0,1,0,0|1,0,0]=3 44324 B14R2.35 CCCN1CCC1c2ccccc2 269982a_100000739605_100000210303 [0,1,0,1,0,0|1,0,0]=3 44325 B14R2.35 COCN1CCC1c2ccccc2 2230a_100000739605_100000766300 [0,1,0,1,0,0|1,0,0]=3 44326 B14R2.35 COCN1CCC1c2ccccc2 269982a_100000739605_100000766300 [0,1,0,1,0,0|1,0,0]=3 44327 B14R2.35 CSCN1CCC1c2ccccc2 2230a_100000739605_100011218213 [0,1,0,1,0,0|1,1,0]=4 44328 B14R2.35 CSCN1CCC1c2ccccc2 269982a_100000739605_100011218213 [0,1,0,1,0,0|1,1,0]=4 44329 B14R2.35 FCCN1CCC1c2ccccc2 2230a_100000739605_100011217306 [0,1,0,1,0,0|1,0,0]=3 44330 B14R2.35 FCCN1CCC1c2ccccc2 269982a_100000739605_100011217306 [0,1,0,1,0,0|1,0,0]=3 44331 B14R2.35 N#CCN1CCC1c2ccccc2 2230a_100000739605_100011215382 [0,1,0,1,0,0|1,0,1]=4 44332 B14R2.35 N#CCN1CCC1c2ccccc2 269982a_100000739605_100011214920 [0,1,0,1,0,0|1,0,1]=4 44333 B14R2.35 O=CCN1CCC1c2ccccc2 2230a_100000739605_200015260668 [0,1,0,1,0,0|0,0,2]=4 44334 B14R2.35 O=CCN1CCC1c2ccccc2 269982a_100000739605_200015260668 [0,1,0,1,0,0|0,0,2]=4 44335 B14R2.35 OCCN1CCC1c2ccccc2 2230a_100000739605_100000211926 [0,1,0,1,0,0|0,0,0]=2 44336 B14R2.35 OCCN1CCC1c2ccccc2 269982a_100000739605_100000211926 [0,1,0,1,0,0|0,0,0]=2 44337 B14R2.49 CC1CC1COCc2ccccc2 34a_100000744939_100015291786 [0,1,0,1,0,0|1,0,0]=3 44338 B14R2.49 CC1CC1COCc2ccccc2 7a_100000744939_100000211182 [0,1,0,1,0,0|1,0,0]=3 44339 B14R2.49 CC1CC1COCc2ccccn2 34a_100000744939_100000721315 [0,1,0,1,0,0|2,0,0]=4 44340 B14R2.49 CC1CC1COCc2ccccn2 7a_100000744939_100000721315 [0,1,0,1,0,0|2,0,0]=4 44341 B14R2.49 CC1CC1COCc2cccnc2 34a_100000744939_100000733263 [0,1,0,1,0,0|2,0,0]=4 44342 B14R2.49 CC1CC1COCc2cccnc2 7a_100000744939_100000741622 [0,1,0,1,0,0|2,0,0]=4 44343 B14R2.49 CC1CC1COCc2ccncc2 7a_100000744939_100015193705 [0,1,0,1,0,0|2,0,0]=4 44344 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 2230a_100025746932_100000765856 [0,1,0,1,0,0|1,0,0]=3 44345 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccc2 34a_100025746932_100000765856 [0,1,0,1,0,0|1,0,0]=3 44346 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccccn2 2230a_100025746932_100015183660 [0,1,0,1,0,0|2,0,0]=4 44347 B14R2.49 F[C@@H]1C[C@H]1NCCc2cccnc2 2230a_100025746932_200011713674 [0,1,0,1,0,0|2,0,0]=4 44348 B14R2.49 F[C@@H]1C[C@H]1NCCc2ccncc2 2230a_100025746932_100000723409 [0,1,0,1,0,0|2,0,0]=4 44349 B14R2.49 F[C@@H]1C[C@H]1NCSc2ccccc2 2230a_100025746932_100011218342 [0,1,0,1,0,0|2,0,0]=4 44350 B14R2.49 F[C@H]1C[C@H]1NCCc2ccccc2 2230a_100015190264_100000765856 [0,1,0,1,0,0|1,0,0]=3 44351 B14R2.49 F[C@H]1C[C@H]1NCCc2ccccn2 2230a_100015190264_100015183660 [0,1,0,1,0,0|2,0,0]=4 44352 B14R2.49 F[C@H]1C[C@H]1NCCc2cccnc2 2230a_100015190264_200011713674 [0,1,0,1,0,0|2,0,0]=4 44353 B14R2.49 F[C@H]1C[C@H]1NCCc2ccncc2 2230a_100015190264_100000723409 [0,1,0,1,0,0|2,0,0]=4 44354 B14R2.49 F[C@H]1C[C@H]1NCSc2ccccc2 2230a_100015190264_100011218342 [0,1,0,1,0,0|2,0,0]=4 44355 B14R2.101 c1cc(ccn1)CCN2CCCC2 2230a_100000188435_100000723409 [0,1,0,1,0,0|2,0,0]=4 44356 B14R2.101 c1cc(ccn1)CCN2CCCC2 269982a_100000188435_100000723409 [0,1,0,1,0,0|2,0,0]=4 44357 B14R2.101 c1cc(ccn1)CNC2CCCC2 207a_100000211070_100000186114 [0,1,0,1,0,0|2,0,0]=4 44358 B14R2.101 c1cc(ccn1)CNC2CCCC2 2230a_100000211070_100015193705 [0,1,0,1,0,0|2,0,0]=4 44359 B14R2.101 c1cc(ccn1)CN[C@@H]2CCOC2 207a_200015188469_100000186114 [0,1,0,1,0,0|2,0,0]=4 44360 B14R2.101 c1cc(ccn1)CN[C@@H]2CCOC2 2230a_200015188469_100015193705 [0,1,0,1,0,0|2,0,0]=4 44361 B14R2.101 c1cc(ccn1)CN[C@H]2CCOC2 207a_100015188467_100000186114 [0,1,0,1,0,0|2,0,0]=4 44362 B14R2.101 c1cc(ccn1)CN[C@H]2CCOC2 2230a_100015188467_100015193705 [0,1,0,1,0,0|2,0,0]=4 44363 B14R2.101 c1cc(ccn1)COC2CCCC2 7a_100000210269_100015193705 [0,1,0,1,0,0|2,0,0]=4 44364 B14R2.101 c1cc(ccn1)CSC2CCCC2 62a_100011217020_100015193705 [0,1,0,1,0,0|2,0,0]=4 44365 B14R2.101 c1cc(ccn1)CSC2CCCC2 62a_100015193705_100000179811 [0,1,0,1,0,0|2,0,0]=4 44366 B14R2.101 c1cc(ccn1)CSC2CCOC2 62a_100015193705_100000690089 [0,1,0,1,0,0|2,0,0]=4 44367 B14R2.101 c1cc(ccn1)OCC2CCCC2 34a_100000212176_100000740388 [0,1,0,1,0,0|2,0,0]=4 44368 B14R2.101 c1cc(ccn1)OCC2CCOC2 34a_100000212176_100011261433 [0,1,0,1,0,0|2,0,0]=4 44369 B14R2.101 c1cc(ccn1)OCC2OCCO2 34a_100000212176_100000755774 [0,1,0,1,0,0|2,0,0]=4 44370 B14R2.101 c1cc(ccn1)SCC2CCCC2 62a_100000728582_100000740388 [0,1,0,1,0,0|2,0,0]=4 44371 B14R2.101 c1cc(ccn1)SCC2CCCC2 62a_100000740388_100000728582 [0,1,0,1,0,0|2,0,0]=4 44372 B14R2.101 c1cc(ccn1)SCC2CCCO2 62a_100000203698_100000728582 [0,1,0,1,0,0|1,0,0]=3 44373 B14R2.101 c1cc(ccn1)SCC2CCCO2 62a_100000728582_100000203698 [0,1,0,1,0,0|1,0,0]=3 44374 B14R2.101 c1cc(ccn1)SCC2CCOC2 62a_100000702531_100000728582 [0,1,0,1,0,0|2,0,0]=4 44375 B14R2.101 c1cc(ccn1)SCC2CCOC2 62a_100000728582_100000702531 [0,1,0,1,0,0|2,0,0]=4 44376 B14R2.101 c1cc(ccn1)SCC2OCCO2 62a_100000728582_100000755774 [0,1,0,1,0,0|2,0,0]=4 44377 B14R2.101 c1cc(ccn1)SCC2OCCO2 62a_100000755774_100000728582 [0,1,0,1,0,0|2,0,0]=4 44378 B14R2.101 c1cc(cnn1)SCC2CCCO2 62a_100000203698_100000732662 [0,1,0,1,0,0|2,0,0]=4 44379 B14R2.101 c1cc(cnn1)SCC2CCCO2 62a_100000732662_100000203698 [0,1,0,1,0,0|2,0,0]=4 44380 B14R2.101 c1cc(ncn1)NC[C@@H]2CCCO2 27a_100020590478_100000703185 [0,1,0,1,0,0|2,0,0]=4 44381 B14R2.101 c1cc(ncn1)SCC2CCCO2 62a_100000203698_100000703185 [0,1,0,1,0,0|2,0,0]=4 44382 B14R2.101 c1cc(ncn1)SCC2CCCO2 62a_100000703185_100000203698 [0,1,0,1,0,0|2,0,0]=4 44383 B14R2.101 c1ccc(cc1)CCN2CCCC2 2230a_100000188435_100000765856 [0,1,0,1,0,0|1,0,0]=3 44384 B14R2.101 c1ccc(cc1)CCN2CCCC2 269982a_100000188435_100000765856 [0,1,0,1,0,0|1,0,0]=3 44385 B14R2.101 c1ccc(cc1)CCN2CCSC2 2230a_100011215254_100000765856 [0,1,0,1,0,0|1,1,0]=4 44386 B14R2.101 c1ccc(cc1)CCN2CCSC2 269982a_100011215254_100000765856 [0,1,0,1,0,0|1,1,0]=4 44387 B14R2.101 c1ccc(cc1)CNC2CCCC2 207a_100000211070_100015611070 [0,1,0,1,0,0|1,0,0]=3 44388 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100000211070_100015291786 [0,1,0,1,0,0|1,0,0]=3 44389 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100015324214_100000179811 [0,1,0,1,0,0|1,0,0]=3 44390 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100000211070_100015611070 [0,1,0,1,0,0|1,0,0]=3 44391 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100015324214_100000210133 [0,1,0,1,0,0|1,0,0]=3 44392 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100000211070_100015291786 [0,1,0,1,0,0|1,0,0]=3 44393 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100015324214_100000179811 [0,1,0,1,0,0|1,0,0]=3 44394 B14R2.101 c1ccc(cc1)CNC2CCOC2 2230a_100015324214_100000731011 [0,1,0,1,0,0|1,0,0]=3 44395 B14R2.101 c1ccc(cc1)CNC2CCOC2 270004a_100015324214_100000752484 [0,1,0,1,0,0|1,0,0]=3 44396 B14R2.101 c1ccc(cc1)CNC2CCOC2 34a_100015324214_100000690089 [0,1,0,1,0,0|1,0,0]=3 44397 B14R2.101 c1ccc(cc1)CNC2CCSC2 270004a_100015324214_100000212027 [0,1,0,1,0,0|1,1,0]=4 44398 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 207a_200015188469_100015611070 [0,1,0,1,0,0|1,0,0]=3 44399 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 2230a_200015188469_100015291786 [0,1,0,1,0,0|1,0,0]=3 44400 B14R2.101 c1ccc(cc1)CN[C@@H]2CCOC2 270004a_200015188469_100015611070 [0,1,0,1,0,0|1,0,0]=3 44401 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 207a_100015188467_100015611070 [0,1,0,1,0,0|1,0,0]=3 44402 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 2230a_100015188467_100015291786 [0,1,0,1,0,0|1,0,0]=3 44403 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 270004a_100015188467_100015611070 [0,1,0,1,0,0|1,0,0]=3 44404 B14R2.101 c1ccc(cc1)CN[C@H]2CCOC2 34a_100015188467_100015291786 [0,1,0,1,0,0|1,0,0]=3 44405 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210269_100015291786 [0,1,0,1,0,0|1,0,0]=3 44406 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210790_100000179811 [0,1,0,1,0,0|1,0,0]=3 44407 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210269_100000211182 [0,1,0,1,0,0|1,0,0]=3 44408 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210790_100000179811 [0,1,0,1,0,0|1,0,0]=3 44409 B14R2.101 c1ccc(cc1)COC2CCCO2 34a_100000085407_100015291786 [0,1,0,1,0,0|0,0,0]=2 44410 B14R2.101 c1ccc(cc1)COC2CCOC2 34a_100000210790_100000690089 [0,1,0,1,0,0|1,0,0]=3 44411 B14R2.101 c1ccc(cc1)COC2CCOC2 7a_100000210790_100000731011 [0,1,0,1,0,0|1,0,0]=3 44412 B14R2.101 c1ccc(cc1)COC2CCSC2 7a_100011232664_100000211182 [0,1,0,1,0,0|1,1,0]=4 44413 B14R2.101 c1ccc(cc1)CO[C@H]2CCOC2 34a_100000717292_100015291786 [0,1,0,1,0,0|1,0,0]=3 44414 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100000211182_100000179811 [0,1,0,1,0,0|1,0,0]=3 44415 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100011217020_100015291786 [0,1,0,1,0,0|1,0,0]=3 44416 B14R2.101 c1ccc(cc1)CSC2CCOC2 62a_100000211182_100000690089 [0,1,0,1,0,0|1,0,0]=3 44417 B14R2.101 c1ccc(cc1)NCC2CCCC2 34a_100000106764_100000740388 [0,1,0,1,0,0|1,0,0]=3 44418 B14R2.101 c1ccc(cc1)NCC2CCOC2 34a_100000106764_100011261433 [0,1,0,1,0,0|1,0,0]=3 44419 B14R2.101 c1ccc(cc1)NCC2OCCO2 34a_100000106764_100000755774 [0,1,0,1,0,0|1,0,0]=3 44420 B14R2.101 c1ccc(cc1)OCC2CCCC2 34a_100000210340_100000740388 [0,1,0,1,0,0|1,0,0]=3 44421 B14R2.101 c1ccc(cc1)OCC2CCCC2 7a_100000210340_100000740388 [0,1,0,1,0,0|1,0,0]=3 44422 B14R2.101 c1ccc(cc1)OCC2CCCO2 7a_100000210340_100000203698 [0,1,0,1,0,0|0,0,0]=2 44423 B14R2.101 c1ccc(cc1)OCC2CCOC2 34a_100000210340_100011261433 [0,1,0,1,0,0|1,0,0]=3 44424 B14R2.101 c1ccc(cc1)OCC2CCOC2 7a_100000210340_100000702531 [0,1,0,1,0,0|1,0,0]=3 44425 B14R2.101 c1ccc(cc1)OCC2OCCO2 34a_100000210340_100000755774 [0,1,0,1,0,0|1,0,0]=3 44426 B14R2.101 c1ccc(cc1)OCC2OCCO2 7a_100000210340_100000755774 [0,1,0,1,0,0|1,0,0]=3 44427 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000719477_100000740388 [0,1,0,1,0,0|1,0,0]=3 44428 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000740388_100000041952 [0,1,0,1,0,0|1,0,0]=3 44429 B14R2.101 c1ccc(cc1)SCC2CCCO2 62a_100000203698_100000041952 [0,1,0,1,0,0|0,0,0]=2 44430 B14R2.101 c1ccc(cc1)SCC2CCCO2 62a_100000719477_100000203698 [0,1,0,1,0,0|0,0,0]=2 44431 B14R2.101 c1ccc(cc1)SCC2CCOC2 62a_100000702531_100000041952 [0,1,0,1,0,0|1,0,0]=3 44432 B14R2.101 c1ccc(cc1)SCC2CCOC2 62a_100000719477_100000702531 [0,1,0,1,0,0|1,0,0]=3 44433 B14R2.101 c1ccc(cc1)SCC2OCCO2 62a_100000719477_100000755774 [0,1,0,1,0,0|1,0,0]=3 44434 B14R2.101 c1ccc(cc1)SCC2OCCO2 62a_100000755774_100000041952 [0,1,0,1,0,0|1,0,0]=3 44435 B14R2.101 c1ccc(cc1)SCN2CCCC2 2230a_100000188435_100011218342 [0,1,0,1,0,0|2,0,0]=4 44436 B14R2.101 c1ccc(cc1)SCN2CCCC2 269982a_100000188435_100011218342 [0,1,0,1,0,0|2,0,0]=4 44437 B14R2.101 c1ccc(nc1)CCN2CCCC2 2230a_100000188435_100015183660 [0,1,0,1,0,0|2,0,0]=4 44438 B14R2.101 c1ccc(nc1)CCN2CCCC2 269982a_100000188435_100015183660 [0,1,0,1,0,0|2,0,0]=4 44439 B14R2.101 c1ccc(nc1)CNC2CCCC2 207a_100000211070_100000209966 [0,1,0,1,0,0|2,0,0]=4 44440 B14R2.101 c1ccc(nc1)CNC2CCCC2 2230a_100000211070_100000721315 [0,1,0,1,0,0|2,0,0]=4 44441 B14R2.101 c1ccc(nc1)CNC2CCCC2 270004a_100000210449_100000210133 [0,1,0,1,0,0|2,0,0]=4 44442 B14R2.101 c1ccc(nc1)CNC2CCCC2 270004a_100000211070_100000209966 [0,1,0,1,0,0|2,0,0]=4 44443 B14R2.101 c1ccc(nc1)CNC2CCCC2 34a_100000211070_100000721315 [0,1,0,1,0,0|2,0,0]=4 44444 B14R2.101 c1ccc(nc1)CNC2CCOC2 270004a_100000210449_100000752484 [0,1,0,1,0,0|2,0,0]=4 44445 B14R2.101 c1ccc(nc1)CN[C@@H]2CCOC2 207a_200015188469_100000209966 [0,1,0,1,0,0|2,0,0]=4 44446 B14R2.101 c1ccc(nc1)CN[C@@H]2CCOC2 2230a_200015188469_100000721315 [0,1,0,1,0,0|2,0,0]=4 44447 B14R2.101 c1ccc(nc1)CN[C@@H]2CCOC2 270004a_200015188469_100000209966 [0,1,0,1,0,0|2,0,0]=4 44448 B14R2.101 c1ccc(nc1)CN[C@H]2CCOC2 207a_100015188467_100000209966 [0,1,0,1,0,0|2,0,0]=4 44449 B14R2.101 c1ccc(nc1)CN[C@H]2CCOC2 2230a_100015188467_100000721315 [0,1,0,1,0,0|2,0,0]=4 44450 B14R2.101 c1ccc(nc1)CN[C@H]2CCOC2 270004a_100015188467_100000209966 [0,1,0,1,0,0|2,0,0]=4 44451 B14R2.101 c1ccc(nc1)CN[C@H]2CCOC2 34a_100015188467_100000721315 [0,1,0,1,0,0|2,0,0]=4 44452 B14R2.101 c1ccc(nc1)COC2CCCC2 34a_100000210269_100000721315 [0,1,0,1,0,0|2,0,0]=4 44453 B14R2.101 c1ccc(nc1)COC2CCCC2 7a_100000210269_100000721315 [0,1,0,1,0,0|2,0,0]=4 44454 B14R2.101 c1ccc(nc1)COC2CCCO2 34a_100000085407_100000721315 [0,1,0,1,0,0|1,0,0]=3 44455 B14R2.101 c1ccc(nc1)CO[C@H]2CCOC2 34a_100000717292_100000721315 [0,1,0,1,0,0|2,0,0]=4 44456 B14R2.101 c1ccc(nc1)CSC2CCCC2 62a_100000721315_100000179811 [0,1,0,1,0,0|2,0,0]=4 44457 B14R2.101 c1ccc(nc1)CSC2CCCC2 62a_100011217020_100000721315 [0,1,0,1,0,0|2,0,0]=4 44458 B14R2.101 c1ccc(nc1)CSC2CCOC2 62a_100000721315_100000690089 [0,1,0,1,0,0|2,0,0]=4 44459 B14R2.101 c1ccc(nc1)SCC2CCCC2 62a_100000740388_100011216584 [0,1,0,1,0,0|2,0,0]=4 44460 B14R2.101 c1ccc(nc1)SCC2CCCC2 62a_100011216584_100000740388 [0,1,0,1,0,0|2,0,0]=4 44461 B14R2.101 c1ccc(nc1)SCC2CCCO2 62a_100000203698_100011216584 [0,1,0,1,0,0|1,0,0]=3 44462 B14R2.101 c1ccc(nc1)SCC2CCCO2 62a_100011216584_100000203698 [0,1,0,1,0,0|1,0,0]=3 44463 B14R2.101 c1ccc(nc1)SCC2CCOC2 62a_100000702531_100011216584 [0,1,0,1,0,0|2,0,0]=4 44464 B14R2.101 c1ccc(nc1)SCC2CCOC2 62a_100011216584_100000702531 [0,1,0,1,0,0|2,0,0]=4 44465 B14R2.101 c1ccc(nc1)SCC2OCCO2 62a_100000755774_100011216584 [0,1,0,1,0,0|2,0,0]=4 44466 B14R2.101 c1ccc(nc1)SCC2OCCO2 62a_100011216584_100000755774 [0,1,0,1,0,0|2,0,0]=4 44467 B14R2.101 c1cnc(cn1)COC2CCCO2 34a_100000085407_100016995436 [0,1,0,1,0,0|2,0,0]=4 44468 B14R2.101 c1cnc(cn1)NC[C@@H]2CCCO2 27a_100020590478_100000211759 [0,1,0,1,0,0|2,0,0]=4 44469 B14R2.101 c1cnc(cn1)SCC2CCCO2 62a_100000203698_100000211759 [0,1,0,1,0,0|2,0,0]=4 44470 B14R2.101 c1cnc(cn1)SCC2CCCO2 62a_100000211759_100000203698 [0,1,0,1,0,0|2,0,0]=4 44471 B14R2.101 c1cnc(nc1)COC2CCCO2 34a_100000085407_100000703007 [0,1,0,1,0,0|2,0,0]=4 44472 B14R2.101 c1cnc(nc1)NC[C@@H]2CCCO2 27a_100020590478_100000211032 [0,1,0,1,0,0|2,0,0]=4 44473 B14R2.101 c1cnc(nc1)SCC2CCCO2 62a_100000203698_100000211032 [0,1,0,1,0,0|2,0,0]=4 44474 B14R2.101 c1cnc(nc1)SCC2CCCO2 62a_100000211032_100000203698 [0,1,0,1,0,0|2,0,0]=4 44475 B14R2.101 c1cncc(c1)CCN2CCCC2 2230a_100000188435_200011713674 [0,1,0,1,0,0|2,0,0]=4 44476 B14R2.101 c1cncc(c1)CCN2CCCC2 269982a_100000188435_200011713674 [0,1,0,1,0,0|2,0,0]=4 44477 B14R2.101 c1cncc(c1)CNC2CCCC2 207a_100000211070_100000209961 [0,1,0,1,0,0|2,0,0]=4 44478 B14R2.101 c1cncc(c1)CNC2CCCC2 2230a_100000211070_100000741622 [0,1,0,1,0,0|2,0,0]=4 44479 B14R2.101 c1cncc(c1)CNC2CCCC2 270004a_100000210453_100000210133 [0,1,0,1,0,0|2,0,0]=4 44480 B14R2.101 c1cncc(c1)CNC2CCCC2 270004a_100000211070_100000209961 [0,1,0,1,0,0|2,0,0]=4 44481 B14R2.101 c1cncc(c1)CNC2CCCC2 34a_100000211070_100000733263 [0,1,0,1,0,0|2,0,0]=4 44482 B14R2.101 c1cncc(c1)CNC2CCOC2 270004a_100000210453_100000752484 [0,1,0,1,0,0|2,0,0]=4 44483 B14R2.101 c1cncc(c1)CN[C@@H]2CCOC2 207a_200015188469_100000209961 [0,1,0,1,0,0|2,0,0]=4 44484 B14R2.101 c1cncc(c1)CN[C@@H]2CCOC2 2230a_200015188469_100000741622 [0,1,0,1,0,0|2,0,0]=4 44485 B14R2.101 c1cncc(c1)CN[C@@H]2CCOC2 270004a_200015188469_100000209961 [0,1,0,1,0,0|2,0,0]=4 44486 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 207a_100015188467_100000209961 [0,1,0,1,0,0|2,0,0]=4 44487 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 2230a_100015188467_100000741622 [0,1,0,1,0,0|2,0,0]=4 44488 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 270004a_100015188467_100000209961 [0,1,0,1,0,0|2,0,0]=4 44489 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 34a_100015188467_100000733263 [0,1,0,1,0,0|2,0,0]=4 44490 B14R2.101 c1cncc(c1)COC2CCCC2 34a_100000210269_100000733263 [0,1,0,1,0,0|2,0,0]=4 44491 B14R2.101 c1cncc(c1)COC2CCCC2 7a_100000210269_100000741622 [0,1,0,1,0,0|2,0,0]=4 44492 B14R2.101 c1cncc(c1)COC2CCCO2 34a_100000085407_100000733263 [0,1,0,1,0,0|1,0,0]=3 44493 B14R2.101 c1cncc(c1)CO[C@H]2CCOC2 34a_100000717292_100000733263 [0,1,0,1,0,0|2,0,0]=4 44494 B14R2.101 c1cncc(c1)CSC2CCCC2 62a_100000741622_100000179811 [0,1,0,1,0,0|2,0,0]=4 44495 B14R2.101 c1cncc(c1)CSC2CCCC2 62a_100011217020_100000741622 [0,1,0,1,0,0|2,0,0]=4 44496 B14R2.101 c1cncc(c1)CSC2CCOC2 62a_100000741622_100000690089 [0,1,0,1,0,0|2,0,0]=4 44497 B14R2.101 c1cncc(c1)OCC2CCCC2 34a_100000210849_100000740388 [0,1,0,1,0,0|2,0,0]=4 44498 B14R2.101 c1cncc(c1)OCC2CCCC2 7a_100000210849_100000740388 [0,1,0,1,0,0|2,0,0]=4 44499 B14R2.101 c1cncc(c1)OCC2CCCO2 7a_100000210849_100000203698 [0,1,0,1,0,0|1,0,0]=3 44500 B14R2.101 c1cncc(c1)OCC2CCOC2 34a_100000210849_100011261433 [0,1,0,1,0,0|2,0,0]=4 44501 B14R2.101 c1cncc(c1)OCC2CCOC2 7a_100000210849_100000702531 [0,1,0,1,0,0|2,0,0]=4 44502 B14R2.101 c1cncc(c1)OCC2OCCO2 34a_100000210849_100000755774 [0,1,0,1,0,0|2,0,0]=4 44503 B14R2.101 c1cncc(c1)OCC2OCCO2 7a_100000210849_100000755774 [0,1,0,1,0,0|2,0,0]=4 44504 B14R2.101 c1cncc(c1)SCC2CCCC2 62a_100000210063_100000740388 [0,1,0,1,0,0|2,0,0]=4 44505 B14R2.101 c1cncc(c1)SCC2CCCC2 62a_100000740388_100000210063 [0,1,0,1,0,0|2,0,0]=4 44506 B14R2.101 c1cncc(c1)SCC2CCCO2 62a_100000203698_100000210063 [0,1,0,1,0,0|1,0,0]=3 44507 B14R2.101 c1cncc(c1)SCC2CCCO2 62a_100000210063_100000203698 [0,1,0,1,0,0|1,0,0]=3 44508 B14R2.101 c1cncc(c1)SCC2CCOC2 62a_100000210063_100000702531 [0,1,0,1,0,0|2,0,0]=4 44509 B14R2.101 c1cncc(c1)SCC2CCOC2 62a_100000702531_100000210063 [0,1,0,1,0,0|2,0,0]=4 44510 B14R2.101 c1cncc(c1)SCC2OCCO2 62a_100000210063_100000755774 [0,1,0,1,0,0|2,0,0]=4 44511 B14R2.101 c1cncc(c1)SCC2OCCO2 62a_100000755774_100000210063 [0,1,0,1,0,0|2,0,0]=4 44512 B14R2.101 c1cnnc(c1)COC2CCCO2 34a_100000085407_100016990269 [0,1,0,1,0,0|2,0,0]=4 44513 B14R2.101 c1cnnc(c1)NC[C@@H]2CCCO2 27a_100020590478_100016991348 [0,1,0,1,0,0|2,0,0]=4 44514 B14R2.101 c1cnnc(c1)SCC2CCCO2 62a_100000203698_100016991348 [0,1,0,1,0,0|2,0,0]=4 44515 B14R2.101 c1cnnc(c1)SCC2CCCO2 62a_100016991348_100000203698 [0,1,0,1,0,0|2,0,0]=4 44516 B14R2.101 c1ncc(cn1)COC2CCCO2 34a_100000085407_100015196519 [0,1,0,1,0,0|2,0,0]=4 44517 B14R2.101 c1ncc(cn1)OCC2CCCO2 7a_100000754086_100000203698 [0,1,0,1,0,0|2,0,0]=4 44518 B14R2.101 c1ncc(cn1)SCC2CCCO2 62a_100000203698_100011206942 [0,1,0,1,0,0|2,0,0]=4 44519 B14R2.101 c1ncc(cn1)SCC2CCCO2 62a_100011206942_100000203698 [0,1,0,1,0,0|2,0,0]=4 44520 B14R2.2014 CNC1CCCCc2c1cccc2 269862a_106832991636_100000184060 [0,1,0,1,0,0|1,0,0]=3 44521 B14R2.2014 CNC1CCCOc2c1cccc2 269862a_106832991636_100000750279 [0,1,0,1,0,0|2,0,0]=4 44522 B14R2.3018 c1cc(ccn1)CCCOC2CC2 34a_100000210659_100000211595 [0,1,0,1,0,0|2,0,0]=4 44523 B14R2.3018 c1cc(ccn1)CCNCC2CC2 2230a_100000735609_100000723409 [0,1,0,1,0,0|2,0,0]=4 44524 B14R2.3018 c1cc(ccn1)CCNCC2CC2 269862a_100000742849_100000741477 [0,1,0,1,0,0|2,0,0]=4 44525 B14R2.3018 c1cc(ccn1)CCOCC2CC2 34a_100011216225_100000742324 [0,1,0,1,0,0|2,0,0]=4 44526 B14R2.3018 c1cc(ccn1)CCOCC2CO2 34a_100011216225_102125554688 [0,1,0,1,0,0|1,0,0]=3 44527 B14R2.3018 c1cc(ccn1)CCSCC2CC2 62a_100000723409_100000742324 [0,1,0,1,0,0|2,0,0]=4 44528 B14R2.3018 c1cc(ccn1)CCSCC2CC2 62a_100000756562_100000723409 [0,1,0,1,0,0|2,0,0]=4 44529 B14R2.3018 c1cc(ccn1)CCSCC2CO2 62a_100000723409_102125554688 [0,1,0,1,0,0|1,0,0]=3 44530 B14R2.3018 c1cc(ccn1)CCSCC2CO2 62a_102125554688_100000723409 [0,1,0,1,0,0|1,0,0]=3 44531 B14R2.3018 c1cc(ccn1)CCSCC2CS2 62a_100000031435_100000723409 [0,1,0,1,0,0|1,1,0]=4 44532 B14R2.3018 c1cc(ccn1)CCSCC2CS2 62a_100000723409_100000031435 [0,1,0,1,0,0|1,1,0]=4 44533 B14R2.3018 c1cc(ccn1)CCSC[C@@H]2CO2 62a_100000723409_100000745022 [0,1,0,1,0,0|1,0,0]=3 44534 B14R2.3018 c1cc(ccn1)CCSC[C@@H]2CO2 62a_100000745022_100000723409 [0,1,0,1,0,0|1,0,0]=3 44535 B14R2.3018 c1cc(ccn1)CNCCC2CC2 207a_100000764129_100000186114 [0,1,0,1,0,0|2,0,0]=4 44536 B14R2.3018 c1cc(ccn1)COCCC2CC2 7a_100000754188_100015193705 [0,1,0,1,0,0|2,0,0]=4 44537 B14R2.3018 c1cc(ccn1)CSCCC2CC2 62a_100000764125_100015193705 [0,1,0,1,0,0|2,0,0]=4 44538 B14R2.3018 c1cc(ccn1)CSCCC2CC2 62a_100015193705_100000764125 [0,1,0,1,0,0|2,0,0]=4 44539 B14R2.3018 c1cc(ccn1)CSCCC2CO2 62a_100000732470_100015193705 [0,1,0,1,0,0|1,0,0]=3 44540 B14R2.3018 c1cc(ccn1)CSCCC2CO2 62a_100015193705_100000732470 [0,1,0,1,0,0|1,0,0]=3 44541 B14R2.3018 c1cc(ccn1)OCCCC2CO2 34a_100000212176_100000733510 [0,1,0,1,0,0|1,0,0]=3 44542 B14R2.3018 c1cc(ccn1)SCCCC2CO2 62a_100000728582_100000733510 [0,1,0,1,0,0|1,0,0]=3 44543 B14R2.3018 c1cc(ccn1)SCCCC2CO2 62a_100000733510_100000728582 [0,1,0,1,0,0|1,0,0]=3 44544 B14R2.3018 c1cc(cnn1)OCCCC2CO2 34a_100015204005_100000733510 [0,1,0,1,0,0|2,0,0]=4 44545 B14R2.3018 c1cc(cnn1)SCCCC2CO2 62a_100000732662_100000733510 [0,1,0,1,0,0|2,0,0]=4 44546 B14R2.3018 c1cc(cnn1)SCCCC2CO2 62a_100000733510_100000732662 [0,1,0,1,0,0|2,0,0]=4 44547 B14R2.3018 c1cc(ncn1)SCCCC2CO2 62a_100000703185_100000733510 [0,1,0,1,0,0|2,0,0]=4 44548 B14R2.3018 c1cc(ncn1)SCCCC2CO2 62a_100000733510_100000703185 [0,1,0,1,0,0|2,0,0]=4 44549 B14R2.3018 c1ccc(cc1)CCCNC2CC2 34a_100000211184_100000211595 [0,1,0,1,0,0|1,0,0]=3 44550 B14R2.3018 c1ccc(cc1)CCCNC2CC2 34a_100000212008_100000211621 [0,1,0,1,0,0|1,0,0]=3 44551 B14R2.3018 c1ccc(cc1)CCCOC2CC2 34a_100000210828_100000211595 [0,1,0,1,0,0|1,0,0]=3 44552 B14R2.3018 c1ccc(cc1)CCCSC2CC2 62a_100000211621_100000211595 [0,1,0,1,0,0|1,0,0]=3 44553 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000106460_100000742324 [0,1,0,1,0,0|1,0,0]=3 44554 B14R2.3018 c1ccc(cc1)CCNCC2CC2 2230a_100000735609_100000765856 [0,1,0,1,0,0|1,0,0]=3 44555 B14R2.3018 c1ccc(cc1)CCNCC2CC2 269862a_100000106460_100000741477 [0,1,0,1,0,0|1,0,0]=3 44556 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000106460_100000742324 [0,1,0,1,0,0|1,0,0]=3 44557 B14R2.3018 c1ccc(cc1)CCNCC2CC2 34a_100000735609_100000765856 [0,1,0,1,0,0|1,0,0]=3 44558 B14R2.3018 c1ccc(cc1)CCNCC2CO2 2230a_100000106460_100011216344 [0,1,0,1,0,0|0,0,0]=2 44559 B14R2.3018 c1ccc(cc1)CCNCC2CO2 34a_100000106460_102125554688 [0,1,0,1,0,0|0,0,0]=2 44560 B14R2.3018 c1ccc(cc1)CCOCC2CC2 34a_100000210268_100000742324 [0,1,0,1,0,0|1,0,0]=3 44561 B14R2.3018 c1ccc(cc1)CCOCC2CC2 34a_100000211283_100000765856 [0,1,0,1,0,0|1,0,0]=3 44562 B14R2.3018 c1ccc(cc1)CCOCC2CC2 7a_100000210268_100000742324 [0,1,0,1,0,0|1,0,0]=3 44563 B14R2.3018 c1ccc(cc1)CCOCC2CO2 34a_100000210268_102125554688 [0,1,0,1,0,0|0,0,0]=2 44564 B14R2.3018 c1ccc(cc1)CCOCC2CO2 7a_100000210268_102125554688 [0,1,0,1,0,0|0,0,0]=2 44565 B14R2.3018 c1ccc(cc1)CCOCC2CS2 7a_100000210268_100000031435 [0,1,0,1,0,0|0,1,0]=3 44566 B14R2.3018 c1ccc(cc1)CCOC[C@@H]2CO2 34a_100000757423_100000765856 [0,1,0,1,0,0|0,0,0]=2 44567 B14R2.3018 c1ccc(cc1)CCOC[C@@H]2CO2 7a_100000210268_100000745022 [0,1,0,1,0,0|0,0,0]=2 44568 B14R2.3018 c1ccc(cc1)CCSCC2CC2 62a_100000756562_100011218657 [0,1,0,1,0,0|1,0,0]=3 44569 B14R2.3018 c1ccc(cc1)CCSCC2CC2 62a_100000765856_100000742324 [0,1,0,1,0,0|1,0,0]=3 44570 B14R2.3018 c1ccc(cc1)CCSCC2CO2 62a_100000765856_102125554688 [0,1,0,1,0,0|0,0,0]=2 44571 B14R2.3018 c1ccc(cc1)CCSCC2CO2 62a_102125554688_100011218657 [0,1,0,1,0,0|0,0,0]=2 44572 B14R2.3018 c1ccc(cc1)CCSCC2CS2 62a_100000031435_100011218657 [0,1,0,1,0,0|0,1,0]=3 44573 B14R2.3018 c1ccc(cc1)CCSCC2CS2 62a_100000765856_100000031435 [0,1,0,1,0,0|0,1,0]=3 44574 B14R2.3018 c1ccc(cc1)CCSC[C@@H]2CO2 62a_100000745022_100011218657 [0,1,0,1,0,0|0,0,0]=2 44575 B14R2.3018 c1ccc(cc1)CCSC[C@@H]2CO2 62a_100000765856_100000745022 [0,1,0,1,0,0|0,0,0]=2 44576 B14R2.3018 c1ccc(cc1)CNCCC2CC2 207a_100000764129_100015611070 [0,1,0,1,0,0|1,0,0]=3 44577 B14R2.3018 c1ccc(cc1)CNCCC2CC2 2230a_100015324214_100000694398 [0,1,0,1,0,0|1,0,0]=3 44578 B14R2.3018 c1ccc(cc1)CNCCC2CC2 270004a_100000764129_100015611070 [0,1,0,1,0,0|1,0,0]=3 44579 B14R2.3018 c1ccc(cc1)CNCCC2CC2 34a_100000764129_100015291786 [0,1,0,1,0,0|1,0,0]=3 44580 B14R2.3018 c1ccc(cc1)CNCCC2CC2 34a_100015324214_100000694398 [0,1,0,1,0,0|1,0,0]=3 44581 B14R2.3018 c1ccc(cc1)CNCCC2CO2 2230a_100015324214_100000732470 [0,1,0,1,0,0|0,0,0]=2 44582 B14R2.3018 c1ccc(cc1)CNCCC2CO2 34a_100015324214_100000732470 [0,1,0,1,0,0|0,0,0]=2 44583 B14R2.3018 c1ccc(cc1)COCCC2CC2 34a_100000210790_100000694398 [0,1,0,1,0,0|1,0,0]=3 44584 B14R2.3018 c1ccc(cc1)COCCC2CC2 34a_100000754188_100015291786 [0,1,0,1,0,0|1,0,0]=3 44585 B14R2.3018 c1ccc(cc1)COCCC2CC2 7a_100000210790_100000764125 [0,1,0,1,0,0|1,0,0]=3 44586 B14R2.3018 c1ccc(cc1)COCCC2CC2 7a_100000754188_100000211182 [0,1,0,1,0,0|1,0,0]=3 44587 B14R2.3018 c1ccc(cc1)COCCC2CO2 34a_100000210790_100000732470 [0,1,0,1,0,0|0,0,0]=2 44588 B14R2.3018 c1ccc(cc1)COCCC2CO2 7a_100000210790_100000732470 [0,1,0,1,0,0|0,0,0]=2 44589 B14R2.3018 c1ccc(cc1)COCC[C@@H]2CO2 34a_100009820653_100015291786 [0,1,0,1,0,0|0,0,0]=2 44590 B14R2.3018 c1ccc(cc1)COCNC2CC2 34a_100000212008_100000763385 [0,1,0,1,0,0|2,0,0]=4 44591 B14R2.3018 c1ccc(cc1)COCSC2CC2 62a_100000763385_100000211595 [0,1,0,1,0,0|2,0,0]=4 44592 B14R2.3018 c1ccc(cc1)CSCCC2CC2 62a_100000211182_100000764125 [0,1,0,1,0,0|1,0,0]=3 44593 B14R2.3018 c1ccc(cc1)CSCCC2CC2 62a_100000764125_100015291786 [0,1,0,1,0,0|1,0,0]=3 44594 B14R2.3018 c1ccc(cc1)CSCCC2CO2 62a_100000211182_100000732470 [0,1,0,1,0,0|0,0,0]=2 44595 B14R2.3018 c1ccc(cc1)CSCCC2CO2 62a_100000732470_100015291786 [0,1,0,1,0,0|0,0,0]=2 44596 B14R2.3018 c1ccc(cc1)CSCNC2CC2 34a_100000212008_200011217039 [0,1,0,1,0,0|2,0,0]=4 44597 B14R2.3018 c1ccc(cc1)CSCSC2CC2 62a_200011217039_100000211595 [0,1,0,1,0,0|2,0,0]=4 44598 B14R2.3018 c1ccc(cc1)NCCCC2CO2 34a_100000106764_100000733510 [0,1,0,1,0,0|0,0,0]=2 44599 B14R2.3018 c1ccc(cc1)NCCOC2CC2 34a_100000211345_100000211595 [0,1,0,1,0,0|2,0,0]=4 44600 B14R2.3018 c1ccc(cc1)OCCCC2CO2 34a_100000210340_100000733510 [0,1,0,1,0,0|0,0,0]=2 44601 B14R2.3018 c1ccc(cc1)OCCCC2CO2 7a_100000210340_100000733510 [0,1,0,1,0,0|0,0,0]=2 44602 B14R2.3018 c1ccc(cc1)OCCNC2CC2 34a_100000174943_100000211595 [0,1,0,1,0,0|2,0,0]=4 44603 B14R2.3018 c1ccc(cc1)OCCNC2CC2 34a_100000212008_100000184471 [0,1,0,1,0,0|2,0,0]=4 44604 B14R2.3018 c1ccc(cc1)OCCOC2CC2 34a_100000210260_100000211595 [0,1,0,1,0,0|2,0,0]=4 44605 B14R2.3018 c1ccc(cc1)OCCSC2CC2 62a_100000184471_100000211595 [0,1,0,1,0,0|2,0,0]=4 44606 B14R2.3018 c1ccc(cc1)SCCCC2CO2 62a_100000719477_100000733510 [0,1,0,1,0,0|0,0,0]=2 44607 B14R2.3018 c1ccc(cc1)SCCCC2CO2 62a_100000733510_100000041952 [0,1,0,1,0,0|0,0,0]=2 44608 B14R2.3018 c1ccc(cc1)SCCNC2CC2 34a_100000212008_100000246102 [0,1,0,1,0,0|2,0,0]=4 44609 B14R2.3018 c1ccc(cc1)SCCSC2CC2 62a_100000246102_100000211595 [0,1,0,1,0,0|2,0,0]=4 44610 B14R2.3018 c1ccc(cc1)SCNCC2CC2 2230a_100000735609_100011218342 [0,1,0,1,0,0|2,0,0]=4 44611 B14R2.3018 c1ccc(cc1)SCSCC2CC2 62a_100000756562_100011218342 [0,1,0,1,0,0|2,0,0]=4 44612 B14R2.3018 c1ccc(cc1)SCSCC2CC2 62a_100011218342_100000742324 [0,1,0,1,0,0|2,0,0]=4 44613 B14R2.3018 c1ccc(cc1)SCSCC2CO2 62a_100011218342_102125554688 [0,1,0,1,0,0|1,0,0]=3 44614 B14R2.3018 c1ccc(cc1)SCSCC2CO2 62a_102125554688_100011218342 [0,1,0,1,0,0|1,0,0]=3 44615 B14R2.3018 c1ccc(cc1)SCSCC2CS2 62a_100000031435_100011218342 [0,1,0,1,0,0|1,1,0]=4 44616 B14R2.3018 c1ccc(cc1)SCSCC2CS2 62a_100011218342_100000031435 [0,1,0,1,0,0|1,1,0]=4 44617 B14R2.3018 c1ccc(cc1)SCSC[C@@H]2CO2 62a_100000745022_100011218342 [0,1,0,1,0,0|1,0,0]=3 44618 B14R2.3018 c1ccc(cc1)SCSC[C@@H]2CO2 62a_100011218342_100000745022 [0,1,0,1,0,0|1,0,0]=3 44619 B14R2.3018 c1ccc(nc1)CCCOC2CC2 34a_100011215068_100000211595 [0,1,0,1,0,0|2,0,0]=4 44620 B14R2.3018 c1ccc(nc1)CCNCC2CC2 2230a_100000735609_100015183660 [0,1,0,1,0,0|2,0,0]=4 44621 B14R2.3018 c1ccc(nc1)CCNCC2CC2 269862a_100000211156_100000741477 [0,1,0,1,0,0|2,0,0]=4 44622 B14R2.3018 c1ccc(nc1)CCOCC2CC2 34a_100000210271_100000742324 [0,1,0,1,0,0|2,0,0]=4 44623 B14R2.3018 c1ccc(nc1)CCOCC2CO2 34a_100000210271_102125554688 [0,1,0,1,0,0|1,0,0]=3 44624 B14R2.3018 c1ccc(nc1)CCSCC2CC2 62a_100000756562_100015183660 [0,1,0,1,0,0|2,0,0]=4 44625 B14R2.3018 c1ccc(nc1)CCSCC2CC2 62a_100015183660_100000742324 [0,1,0,1,0,0|2,0,0]=4 44626 B14R2.3018 c1ccc(nc1)CCSCC2CO2 62a_100015183660_102125554688 [0,1,0,1,0,0|1,0,0]=3 44627 B14R2.3018 c1ccc(nc1)CCSCC2CO2 62a_102125554688_100015183660 [0,1,0,1,0,0|1,0,0]=3 44628 B14R2.3018 c1ccc(nc1)CCSCC2CS2 62a_100000031435_100015183660 [0,1,0,1,0,0|1,1,0]=4 44629 B14R2.3018 c1ccc(nc1)CCSCC2CS2 62a_100015183660_100000031435 [0,1,0,1,0,0|1,1,0]=4 44630 B14R2.3018 c1ccc(nc1)CCSC[C@@H]2CO2 62a_100000745022_100015183660 [0,1,0,1,0,0|1,0,0]=3 44631 B14R2.3018 c1ccc(nc1)CCSC[C@@H]2CO2 62a_100015183660_100000745022 [0,1,0,1,0,0|1,0,0]=3 44632 B14R2.3018 c1ccc(nc1)CNCCC2CC2 207a_100000764129_100000209966 [0,1,0,1,0,0|2,0,0]=4 44633 B14R2.3018 c1ccc(nc1)CNCCC2CC2 270004a_100000764129_100000209966 [0,1,0,1,0,0|2,0,0]=4 44634 B14R2.3018 c1ccc(nc1)CNCCC2CC2 34a_100000764129_100000721315 [0,1,0,1,0,0|2,0,0]=4 44635 B14R2.3018 c1ccc(nc1)COCCC2CC2 34a_100000754188_100000721315 [0,1,0,1,0,0|2,0,0]=4 44636 B14R2.3018 c1ccc(nc1)COCCC2CC2 7a_100000754188_100000721315 [0,1,0,1,0,0|2,0,0]=4 44637 B14R2.3018 c1ccc(nc1)COCC[C@@H]2CO2 34a_100009820653_100000721315 [0,1,0,1,0,0|1,0,0]=3 44638 B14R2.3018 c1ccc(nc1)CSCCC2CC2 62a_100000721315_100000764125 [0,1,0,1,0,0|2,0,0]=4 44639 B14R2.3018 c1ccc(nc1)CSCCC2CC2 62a_100000764125_100000721315 [0,1,0,1,0,0|2,0,0]=4 44640 B14R2.3018 c1ccc(nc1)CSCCC2CO2 62a_100000721315_100000732470 [0,1,0,1,0,0|1,0,0]=3 44641 B14R2.3018 c1ccc(nc1)CSCCC2CO2 62a_100000732470_100000721315 [0,1,0,1,0,0|1,0,0]=3 44642 B14R2.3018 c1ccc(nc1)SCCCC2CO2 62a_100000733510_100011216584 [0,1,0,1,0,0|1,0,0]=3 44643 B14R2.3018 c1ccc(nc1)SCCCC2CO2 62a_100011216584_100000733510 [0,1,0,1,0,0|1,0,0]=3 44644 B14R2.3018 c1cnc(cn1)CCOCC2CO2 34a_100011349526_102125554688 [0,1,0,1,0,0|2,0,0]=4 44645 B14R2.3018 c1cnc(cn1)COCC[C@@H]2CO2 34a_100009820653_100016995436 [0,1,0,1,0,0|2,0,0]=4 44646 B14R2.3018 c1cnc(cn1)CSCCC2CO2 62a_100000732470_100016995436 [0,1,0,1,0,0|2,0,0]=4 44647 B14R2.3018 c1cnc(cn1)CSCCC2CO2 62a_100016995436_100000732470 [0,1,0,1,0,0|2,0,0]=4 44648 B14R2.3018 c1cnc(cn1)SCCCC2CO2 62a_100000211759_100000733510 [0,1,0,1,0,0|2,0,0]=4 44649 B14R2.3018 c1cnc(cn1)SCCCC2CO2 62a_100000733510_100000211759 [0,1,0,1,0,0|2,0,0]=4 44650 B14R2.3018 c1cnc(nc1)COCC[C@@H]2CO2 34a_100009820653_100000703007 [0,1,0,1,0,0|2,0,0]=4 44651 B14R2.3018 c1cnc(nc1)CSCCC2CO2 62a_100000703007_100000732470 [0,1,0,1,0,0|2,0,0]=4 44652 B14R2.3018 c1cnc(nc1)CSCCC2CO2 62a_100000732470_100000703007 [0,1,0,1,0,0|2,0,0]=4 44653 B14R2.3018 c1cnc(nc1)SCCCC2CO2 62a_100000211032_100000733510 [0,1,0,1,0,0|2,0,0]=4 44654 B14R2.3018 c1cnc(nc1)SCCCC2CO2 62a_100000733510_100000211032 [0,1,0,1,0,0|2,0,0]=4 44655 B14R2.3018 c1cncc(c1)CCCNC2CC2 34a_100011532358_100000211595 [0,1,0,1,0,0|2,0,0]=4 44656 B14R2.3018 c1cncc(c1)CCCOC2CC2 34a_100000211284_100000211595 [0,1,0,1,0,0|2,0,0]=4 44657 B14R2.3018 c1cncc(c1)CCNCC2CC2 2230a_100000735609_200011713674 [0,1,0,1,0,0|2,0,0]=4 44658 B14R2.3018 c1cncc(c1)CCNCC2CC2 2230a_100000736294_100000742324 [0,1,0,1,0,0|2,0,0]=4 44659 B14R2.3018 c1cncc(c1)CCNCC2CC2 269862a_100000736294_100000741477 [0,1,0,1,0,0|2,0,0]=4 44660 B14R2.3018 c1cncc(c1)CCNCC2CO2 2230a_100000736294_100011216344 [0,1,0,1,0,0|1,0,0]=3 44661 B14R2.3018 c1cncc(c1)CCOCC2CC2 34a_100011217484_100000742324 [0,1,0,1,0,0|2,0,0]=4 44662 B14R2.3018 c1cncc(c1)CCOCC2CO2 34a_100011217484_102125554688 [0,1,0,1,0,0|1,0,0]=3 44663 B14R2.3018 c1cncc(c1)CCSCC2CC2 62a_100000756562_200011713674 [0,1,0,1,0,0|2,0,0]=4 44664 B14R2.3018 c1cncc(c1)CCSCC2CC2 62a_200011713674_100000742324 [0,1,0,1,0,0|2,0,0]=4 44665 B14R2.3018 c1cncc(c1)CCSCC2CO2 62a_102125554688_200011713674 [0,1,0,1,0,0|1,0,0]=3 44666 B14R2.3018 c1cncc(c1)CCSCC2CO2 62a_200011713674_102125554688 [0,1,0,1,0,0|1,0,0]=3 44667 B14R2.3018 c1cncc(c1)CCSCC2CS2 62a_100000031435_200011713674 [0,1,0,1,0,0|1,1,0]=4 44668 B14R2.3018 c1cncc(c1)CCSCC2CS2 62a_200011713674_100000031435 [0,1,0,1,0,0|1,1,0]=4 44669 B14R2.3018 c1cncc(c1)CCSC[C@@H]2CO2 62a_100000745022_200011713674 [0,1,0,1,0,0|1,0,0]=3 44670 B14R2.3018 c1cncc(c1)CCSC[C@@H]2CO2 62a_200011713674_100000745022 [0,1,0,1,0,0|1,0,0]=3 44671 B14R2.3018 c1cncc(c1)CNCCC2CC2 207a_100000764129_100000209961 [0,1,0,1,0,0|2,0,0]=4 44672 B14R2.3018 c1cncc(c1)CNCCC2CC2 270004a_100000764129_100000209961 [0,1,0,1,0,0|2,0,0]=4 44673 B14R2.3018 c1cncc(c1)CNCCC2CC2 34a_100000764129_100000733263 [0,1,0,1,0,0|2,0,0]=4 44674 B14R2.3018 c1cncc(c1)COCCC2CC2 34a_100000754188_100000733263 [0,1,0,1,0,0|2,0,0]=4 44675 B14R2.3018 c1cncc(c1)COCCC2CC2 7a_100000754188_100000741622 [0,1,0,1,0,0|2,0,0]=4 44676 B14R2.3018 c1cncc(c1)COCC[C@@H]2CO2 34a_100009820653_100000733263 [0,1,0,1,0,0|1,0,0]=3 44677 B14R2.3018 c1cncc(c1)CSCCC2CC2 62a_100000741622_100000764125 [0,1,0,1,0,0|2,0,0]=4 44678 B14R2.3018 c1cncc(c1)CSCCC2CC2 62a_100000764125_100000741622 [0,1,0,1,0,0|2,0,0]=4 44679 B14R2.3018 c1cncc(c1)CSCCC2CO2 62a_100000732470_100000741622 [0,1,0,1,0,0|1,0,0]=3 44680 B14R2.3018 c1cncc(c1)CSCCC2CO2 62a_100000741622_100000732470 [0,1,0,1,0,0|1,0,0]=3 44681 B14R2.3018 c1cncc(c1)OCCCC2CO2 34a_100000210849_100000733510 [0,1,0,1,0,0|1,0,0]=3 44682 B14R2.3018 c1cncc(c1)OCCCC2CO2 7a_100000210849_100000733510 [0,1,0,1,0,0|1,0,0]=3 44683 B14R2.3018 c1cncc(c1)SCCCC2CO2 62a_100000210063_100000733510 [0,1,0,1,0,0|1,0,0]=3 44684 B14R2.3018 c1cncc(c1)SCCCC2CO2 62a_100000733510_100000210063 [0,1,0,1,0,0|1,0,0]=3 44685 B14R2.3018 c1cnnc(c1)CNCCC2CO2 2230a_100159270163_100000732470 [0,1,0,1,0,0|2,0,0]=4 44686 B14R2.3018 c1cnnc(c1)COCC[C@@H]2CO2 34a_100009820653_100016990269 [0,1,0,1,0,0|2,0,0]=4 44687 B14R2.3018 c1cnnc(c1)CSCCC2CO2 62a_100000732470_100016990269 [0,1,0,1,0,0|2,0,0]=4 44688 B14R2.3018 c1cnnc(c1)CSCCC2CO2 62a_100016990269_100000732470 [0,1,0,1,0,0|2,0,0]=4 44689 B14R2.3018 c1cnnc(c1)SCCCC2CO2 62a_100000733510_100016991348 [0,1,0,1,0,0|2,0,0]=4 44690 B14R2.3018 c1cnnc(c1)SCCCC2CO2 62a_100016991348_100000733510 [0,1,0,1,0,0|2,0,0]=4 44691 B14R2.3018 c1ncc(cn1)CCOCC2CO2 34a_100011709255_102125554688 [0,1,0,1,0,0|2,0,0]=4 44692 B14R2.3018 c1ncc(cn1)CNCCC2CO2 2230a_100011243677_100000732470 [0,1,0,1,0,0|2,0,0]=4 44693 B14R2.3018 c1ncc(cn1)COCC[C@@H]2CO2 34a_100009820653_100015196519 [0,1,0,1,0,0|2,0,0]=4 44694 B14R2.3018 c1ncc(cn1)CSCCC2CO2 62a_100000732470_100015196519 [0,1,0,1,0,0|2,0,0]=4 44695 B14R2.3018 c1ncc(cn1)CSCCC2CO2 62a_100015196519_100000732470 [0,1,0,1,0,0|2,0,0]=4 44696 B14R2.3018 c1ncc(cn1)OCCCC2CO2 7a_100000754086_100000733510 [0,1,0,1,0,0|2,0,0]=4 44697 B14R2.3018 c1ncc(cn1)SCCCC2CO2 62a_100000733510_100011206942 [0,1,0,1,0,0|2,0,0]=4 44698 B14R2.3018 c1ncc(cn1)SCCCC2CO2 62a_100011206942_100000733510 [0,1,0,1,0,0|2,0,0]=4 44699 B14R2.3019 c1cc(ccn1)CCNC2CCC2 2230a_100000749019_100000723409 [0,1,0,1,0,0|2,0,0]=4 44700 B14R2.3019 c1cc(ccn1)CCNC2CCC2 270004a_100000742849_100000241760 [0,1,0,1,0,0|2,0,0]=4 44701 B14R2.3019 c1cc(ccn1)CCNC2COC2 2230a_100016991112_100000723409 [0,1,0,1,0,0|2,0,0]=4 44702 B14R2.3019 c1cc(ccn1)CCOC2CCC2 34a_100011216225_100000749161 [0,1,0,1,0,0|2,0,0]=4 44703 B14R2.3019 c1cc(ccn1)CCOC2COC2 34a_100011216225_100009818527 [0,1,0,1,0,0|2,0,0]=4 44704 B14R2.3019 c1cc(ccn1)CCSC2CCC2 62a_100000723409_100000749161 [0,1,0,1,0,0|2,0,0]=4 44705 B14R2.3019 c1cc(ccn1)CCSC2COC2 62a_100000723409_100009818527 [0,1,0,1,0,0|2,0,0]=4 44706 B14R2.3019 c1cc(ccn1)CNCC2CCC2 207a_100000738700_100000186114 [0,1,0,1,0,0|2,0,0]=4 44707 B14R2.3019 c1cc(ccn1)CNCC2CCC2 2230a_100000738700_100015193705 [0,1,0,1,0,0|2,0,0]=4 44708 B14R2.3019 c1cc(ccn1)CNCC2CCC2 269862a_100000210450_100000753134 [0,1,0,1,0,0|2,0,0]=4 44709 B14R2.3019 c1cc(ccn1)CNCC2COC2 207a_100015281925_100000186114 [0,1,0,1,0,0|2,0,0]=4 44710 B14R2.3019 c1cc(ccn1)CNCC2COC2 2230a_100015281925_100015193705 [0,1,0,1,0,0|2,0,0]=4 44711 B14R2.3019 c1cc(ccn1)CNC[C@@H]2CCO2 207a_100020831831_100000186114 [0,1,0,1,0,0|1,0,0]=3 44712 B14R2.3019 c1cc(ccn1)CNC[C@@H]2CCO2 2230a_100020831831_100015193705 [0,1,0,1,0,0|1,0,0]=3 44713 B14R2.3019 c1cc(ccn1)CSCC2CCC2 62a_100000763275_100015193705 [0,1,0,1,0,0|2,0,0]=4 44714 B14R2.3019 c1cc(ccn1)CSCC2CCC2 62a_100015193705_100000763275 [0,1,0,1,0,0|2,0,0]=4 44715 B14R2.3019 c1cc(ccn1)CSCC2CCO2 62a_100000103362_100015193705 [0,1,0,1,0,0|1,0,0]=3 44716 B14R2.3019 c1cc(ccn1)CSCC2CCO2 62a_100015193705_100000103362 [0,1,0,1,0,0|1,0,0]=3 44717 B14R2.3019 c1cc(ccn1)CSCC2COC2 62a_100010264016_100015193705 [0,1,0,1,0,0|2,0,0]=4 44718 B14R2.3019 c1cc(ccn1)CSCC2COC2 62a_100015193705_100010264016 [0,1,0,1,0,0|2,0,0]=4 44719 B14R2.3019 c1cc(cnn1)CNC[C@@H]2CCO2 270004a_100020831831_100011934578 [0,1,0,1,0,0|2,0,0]=4 44720 B14R2.3019 c1ccc(cc1)CCCN2CCC2 269982a_100000754969_100000211621 [0,1,0,1,0,0|1,0,0]=3 44721 B14R2.3019 c1ccc(cc1)CCNC2CCC2 2230a_100000749019_100000765856 [0,1,0,1,0,0|1,0,0]=3 44722 B14R2.3019 c1ccc(cc1)CCNC2CCC2 270004a_100000106460_100000241760 [0,1,0,1,0,0|1,0,0]=3 44723 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000106460_100000749161 [0,1,0,1,0,0|1,0,0]=3 44724 B14R2.3019 c1ccc(cc1)CCNC2CCC2 34a_100000749019_100000765856 [0,1,0,1,0,0|1,0,0]=3 44725 B14R2.3019 c1ccc(cc1)CCNC2COC2 2230a_100016991112_100000765856 [0,1,0,1,0,0|1,0,0]=3 44726 B14R2.3019 c1ccc(cc1)CCNC2COC2 34a_100000106460_100009818527 [0,1,0,1,0,0|1,0,0]=3 44727 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000210268_100000749161 [0,1,0,1,0,0|1,0,0]=3 44728 B14R2.3019 c1ccc(cc1)CCOC2CCC2 34a_100000748187_100000765856 [0,1,0,1,0,0|1,0,0]=3 44729 B14R2.3019 c1ccc(cc1)CCOC2COC2 34a_100000210268_100009818527 [0,1,0,1,0,0|1,0,0]=3 44730 B14R2.3019 c1ccc(cc1)CCOC2COC2 7a_100000210268_100009818527 [0,1,0,1,0,0|1,0,0]=3 44731 B14R2.3019 c1ccc(cc1)CCOC2CSC2 7a_100000072292_100000765856 [0,1,0,1,0,0|1,1,0]=4 44732 B14R2.3019 c1ccc(cc1)CCSC2CCC2 62a_100000765856_100000749161 [0,1,0,1,0,0|1,0,0]=3 44733 B14R2.3019 c1ccc(cc1)CCSC2COC2 62a_100000765856_100009818527 [0,1,0,1,0,0|1,0,0]=3 44734 B14R2.3019 c1ccc(cc1)CNCC2CCC2 207a_100000738700_100015611070 [0,1,0,1,0,0|1,0,0]=3 44735 B14R2.3019 c1ccc(cc1)CNCC2CCC2 2230a_100000738700_100015291786 [0,1,0,1,0,0|1,0,0]=3 44736 B14R2.3019 c1ccc(cc1)CNCC2CCC2 2230a_100015324214_100000763275 [0,1,0,1,0,0|1,0,0]=3 44737 B14R2.3019 c1ccc(cc1)CNCC2CCC2 269862a_100015324214_100000753134 [0,1,0,1,0,0|1,0,0]=3 44738 B14R2.3019 c1ccc(cc1)CNCC2CCC2 270004a_100000738700_100015611070 [0,1,0,1,0,0|1,0,0]=3 44739 B14R2.3019 c1ccc(cc1)CNCC2CCC2 34a_100000738700_100015291786 [0,1,0,1,0,0|1,0,0]=3 44740 B14R2.3019 c1ccc(cc1)CNCC2CCC2 34a_100015324214_100000763275 [0,1,0,1,0,0|1,0,0]=3 44741 B14R2.3019 c1ccc(cc1)CNCC2CCO2 2230a_100015324214_100000103362 [0,1,0,1,0,0|0,0,0]=2 44742 B14R2.3019 c1ccc(cc1)CNCC2CCO2 34a_100015324214_100000103362 [0,1,0,1,0,0|0,0,0]=2 44743 B14R2.3019 c1ccc(cc1)CNCC2COC2 207a_100015281925_100015611070 [0,1,0,1,0,0|1,0,0]=3 44744 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015281925_100015291786 [0,1,0,1,0,0|1,0,0]=3 44745 B14R2.3019 c1ccc(cc1)CNCC2COC2 2230a_100015324214_100010264016 [0,1,0,1,0,0|1,0,0]=3 44746 B14R2.3019 c1ccc(cc1)CNCC2COC2 270004a_100015281925_100015611070 [0,1,0,1,0,0|1,0,0]=3 44747 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015281925_100015291786 [0,1,0,1,0,0|1,0,0]=3 44748 B14R2.3019 c1ccc(cc1)CNCC2COC2 34a_100015324214_100010264016 [0,1,0,1,0,0|1,0,0]=3 44749 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 207a_100020831831_100015611070 [0,1,0,1,0,0|0,0,0]=2 44750 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 2230a_100020831831_100015291786 [0,1,0,1,0,0|0,0,0]=2 44751 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 270004a_100020831831_100015611070 [0,1,0,1,0,0|0,0,0]=2 44752 B14R2.3019 c1ccc(cc1)CNC[C@@H]2CCO2 34a_100020831831_100015291786 [0,1,0,1,0,0|0,0,0]=2 44753 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000210790_100000763275 [0,1,0,1,0,0|1,0,0]=3 44754 B14R2.3019 c1ccc(cc1)COCC2CCC2 34a_100000760304_100015291786 [0,1,0,1,0,0|1,0,0]=3 44755 B14R2.3019 c1ccc(cc1)COCC2CCC2 7a_100000210790_100000763275 [0,1,0,1,0,0|1,0,0]=3 44756 B14R2.3019 c1ccc(cc1)COCC2CCO2 34a_100000039022_100015291786 [0,1,0,1,0,0|0,0,0]=2 44757 B14R2.3019 c1ccc(cc1)COCC2CCO2 34a_100000210790_100000103362 [0,1,0,1,0,0|0,0,0]=2 44758 B14R2.3019 c1ccc(cc1)COCC2CCO2 7a_100000210790_100000103362 [0,1,0,1,0,0|0,0,0]=2 44759 B14R2.3019 c1ccc(cc1)COCC2CNC2 34a_100016987283_100015291786 [0,1,0,1,0,0|2,0,0]=4 44760 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000060846_100015291786 [0,1,0,1,0,0|1,0,0]=3 44761 B14R2.3019 c1ccc(cc1)COCC2COC2 34a_100000210790_100010264016 [0,1,0,1,0,0|1,0,0]=3 44762 B14R2.3019 c1ccc(cc1)COCC2COC2 7a_100000210790_100010264016 [0,1,0,1,0,0|1,0,0]=3 44763 B14R2.3019 c1ccc(cc1)CSCC2CCC2 62a_100000211182_100000763275 [0,1,0,1,0,0|1,0,0]=3 44764 B14R2.3019 c1ccc(cc1)CSCC2CCC2 62a_100000763275_100015291786 [0,1,0,1,0,0|1,0,0]=3 44765 B14R2.3019 c1ccc(cc1)CSCC2CCO2 62a_100000103362_100015291786 [0,1,0,1,0,0|0,0,0]=2 44766 B14R2.3019 c1ccc(cc1)CSCC2CCO2 62a_100000211182_100000103362 [0,1,0,1,0,0|0,0,0]=2 44767 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100000211182_100010264016 [0,1,0,1,0,0|1,0,0]=3 44768 B14R2.3019 c1ccc(cc1)CSCC2COC2 62a_100010264016_100015291786 [0,1,0,1,0,0|1,0,0]=3 44769 B14R2.3019 c1ccc(cc1)CSCN2CCC2 269982a_100000754969_200011217039 [0,1,0,1,0,0|2,0,0]=4 44770 B14R2.3019 c1ccc(cc1)OCCN2CCC2 269982a_100000754969_100000184471 [0,1,0,1,0,0|2,0,0]=4 44771 B14R2.3019 c1ccc(cc1)SCCN2CCC2 269982a_100000754969_100000246102 [0,1,0,1,0,0|2,0,0]=4 44772 B14R2.3019 c1ccc(cc1)SCNC2CCC2 2230a_100000749019_100011218342 [0,1,0,1,0,0|2,0,0]=4 44773 B14R2.3019 c1ccc(cc1)SCNC2COC2 2230a_100016991112_100011218342 [0,1,0,1,0,0|2,0,0]=4 44774 B14R2.3019 c1ccc(cc1)SCSC2CCC2 62a_100011218342_100000749161 [0,1,0,1,0,0|2,0,0]=4 44775 B14R2.3019 c1ccc(cc1)SCSC2COC2 62a_100011218342_100009818527 [0,1,0,1,0,0|2,0,0]=4 44776 B14R2.3019 c1ccc(nc1)CCNC2CCC2 2230a_100000749019_100015183660 [0,1,0,1,0,0|2,0,0]=4 44777 B14R2.3019 c1ccc(nc1)CCNC2CCC2 270004a_100000211156_100000241760 [0,1,0,1,0,0|2,0,0]=4 44778 B14R2.3019 c1ccc(nc1)CCNC2COC2 2230a_100016991112_100015183660 [0,1,0,1,0,0|2,0,0]=4 44779 B14R2.3019 c1ccc(nc1)CCOC2CCC2 34a_100000210271_100000749161 [0,1,0,1,0,0|2,0,0]=4 44780 B14R2.3019 c1ccc(nc1)CCOC2COC2 34a_100000210271_100009818527 [0,1,0,1,0,0|2,0,0]=4 44781 B14R2.3019 c1ccc(nc1)CCSC2CCC2 62a_100015183660_100000749161 [0,1,0,1,0,0|2,0,0]=4 44782 B14R2.3019 c1ccc(nc1)CCSC2COC2 62a_100015183660_100009818527 [0,1,0,1,0,0|2,0,0]=4 44783 B14R2.3019 c1ccc(nc1)CNCC2CCC2 207a_100000738700_100000209966 [0,1,0,1,0,0|2,0,0]=4 44784 B14R2.3019 c1ccc(nc1)CNCC2CCC2 2230a_100000738700_100000721315 [0,1,0,1,0,0|2,0,0]=4 44785 B14R2.3019 c1ccc(nc1)CNCC2CCC2 270004a_100000738700_100000209966 [0,1,0,1,0,0|2,0,0]=4 44786 B14R2.3019 c1ccc(nc1)CNCC2CCC2 34a_100000738700_100000721315 [0,1,0,1,0,0|2,0,0]=4 44787 B14R2.3019 c1ccc(nc1)CNCC2COC2 207a_100015281925_100000209966 [0,1,0,1,0,0|2,0,0]=4 44788 B14R2.3019 c1ccc(nc1)CNCC2COC2 2230a_100015281925_100000721315 [0,1,0,1,0,0|2,0,0]=4 44789 B14R2.3019 c1ccc(nc1)CNCC2COC2 270004a_100015281925_100000209966 [0,1,0,1,0,0|2,0,0]=4 44790 B14R2.3019 c1ccc(nc1)CNCC2COC2 34a_100015281925_100000721315 [0,1,0,1,0,0|2,0,0]=4 44791 B14R2.3019 c1ccc(nc1)CNC[C@@H]2CCO2 207a_100020831831_100000209966 [0,1,0,1,0,0|1,0,0]=3 44792 B14R2.3019 c1ccc(nc1)CNC[C@@H]2CCO2 2230a_100020831831_100000721315 [0,1,0,1,0,0|1,0,0]=3 44793 B14R2.3019 c1ccc(nc1)CNC[C@@H]2CCO2 270004a_100020831831_100000209966 [0,1,0,1,0,0|1,0,0]=3 44794 B14R2.3019 c1ccc(nc1)CNC[C@@H]2CCO2 34a_100020831831_100000721315 [0,1,0,1,0,0|1,0,0]=3 44795 B14R2.3019 c1ccc(nc1)COCC2CCC2 34a_100000760304_100000721315 [0,1,0,1,0,0|2,0,0]=4 44796 B14R2.3019 c1ccc(nc1)COCC2CCO2 34a_100000039022_100000721315 [0,1,0,1,0,0|1,0,0]=3 44797 B14R2.3019 c1ccc(nc1)COCC2COC2 34a_100000060846_100000721315 [0,1,0,1,0,0|2,0,0]=4 44798 B14R2.3019 c1ccc(nc1)CSCC2CCC2 62a_100000721315_100000763275 [0,1,0,1,0,0|2,0,0]=4 44799 B14R2.3019 c1ccc(nc1)CSCC2CCC2 62a_100000763275_100000721315 [0,1,0,1,0,0|2,0,0]=4 44800 B14R2.3019 c1ccc(nc1)CSCC2CCO2 62a_100000103362_100000721315 [0,1,0,1,0,0|1,0,0]=3 44801 B14R2.3019 c1ccc(nc1)CSCC2CCO2 62a_100000721315_100000103362 [0,1,0,1,0,0|1,0,0]=3 44802 B14R2.3019 c1ccc(nc1)CSCC2COC2 62a_100000721315_100010264016 [0,1,0,1,0,0|2,0,0]=4 44803 B14R2.3019 c1ccc(nc1)CSCC2COC2 62a_100010264016_100000721315 [0,1,0,1,0,0|2,0,0]=4 44804 B14R2.3019 c1cnc(cn1)CNC[C@@H]2CCO2 2230a_100020831831_100016995436 [0,1,0,1,0,0|2,0,0]=4 44805 B14R2.3019 c1cnc(cn1)CNC[C@@H]2CCO2 270004a_100020831831_100000749867 [0,1,0,1,0,0|2,0,0]=4 44806 B14R2.3019 c1cnc(cn1)CNC[C@@H]2CCO2 34a_100020831831_100016995436 [0,1,0,1,0,0|2,0,0]=4 44807 B14R2.3019 c1cnc(cn1)COCC2CCO2 34a_100000039022_100016995436 [0,1,0,1,0,0|2,0,0]=4 44808 B14R2.3019 c1cnc(cn1)CSCC2CCO2 62a_100000103362_100016995436 [0,1,0,1,0,0|2,0,0]=4 44809 B14R2.3019 c1cnc(cn1)CSCC2CCO2 62a_100016995436_100000103362 [0,1,0,1,0,0|2,0,0]=4 44810 B14R2.3019 c1cnc(nc1)CNC[C@@H]2CCO2 2230a_100020831831_100000703007 [0,1,0,1,0,0|2,0,0]=4 44811 B14R2.3019 c1cnc(nc1)CNC[C@@H]2CCO2 270004a_100020831831_100011532527 [0,1,0,1,0,0|2,0,0]=4 44812 B14R2.3019 c1cnc(nc1)CNC[C@@H]2CCO2 34a_100020831831_100000703007 [0,1,0,1,0,0|2,0,0]=4 44813 B14R2.3019 c1cnc(nc1)COCC2CCO2 34a_100000039022_100000703007 [0,1,0,1,0,0|2,0,0]=4 44814 B14R2.3019 c1cnc(nc1)CSCC2CCO2 62a_100000103362_100000703007 [0,1,0,1,0,0|2,0,0]=4 44815 B14R2.3019 c1cnc(nc1)CSCC2CCO2 62a_100000703007_100000103362 [0,1,0,1,0,0|2,0,0]=4 44816 B14R2.3019 c1cncc(c1)CCNC2CCC2 2230a_100000749019_200011713674 [0,1,0,1,0,0|2,0,0]=4 44817 B14R2.3019 c1cncc(c1)CCNC2CCC2 270004a_100000736294_100000241760 [0,1,0,1,0,0|2,0,0]=4 44818 B14R2.3019 c1cncc(c1)CCNC2COC2 2230a_100016991112_200011713674 [0,1,0,1,0,0|2,0,0]=4 44819 B14R2.3019 c1cncc(c1)CCOC2CCC2 34a_100011217484_100000749161 [0,1,0,1,0,0|2,0,0]=4 44820 B14R2.3019 c1cncc(c1)CCOC2COC2 34a_100011217484_100009818527 [0,1,0,1,0,0|2,0,0]=4 44821 B14R2.3019 c1cncc(c1)CCSC2CCC2 62a_200011713674_100000749161 [0,1,0,1,0,0|2,0,0]=4 44822 B14R2.3019 c1cncc(c1)CCSC2COC2 62a_200011713674_100009818527 [0,1,0,1,0,0|2,0,0]=4 44823 B14R2.3019 c1cncc(c1)CNCC2CCC2 207a_100000738700_100000209961 [0,1,0,1,0,0|2,0,0]=4 44824 B14R2.3019 c1cncc(c1)CNCC2CCC2 2230a_100000738700_100000741622 [0,1,0,1,0,0|2,0,0]=4 44825 B14R2.3019 c1cncc(c1)CNCC2CCC2 269862a_100000210453_100000753134 [0,1,0,1,0,0|2,0,0]=4 44826 B14R2.3019 c1cncc(c1)CNCC2CCC2 270004a_100000738700_100000209961 [0,1,0,1,0,0|2,0,0]=4 44827 B14R2.3019 c1cncc(c1)CNCC2CCC2 34a_100000738700_100000733263 [0,1,0,1,0,0|2,0,0]=4 44828 B14R2.3019 c1cncc(c1)CNCC2COC2 207a_100015281925_100000209961 [0,1,0,1,0,0|2,0,0]=4 44829 B14R2.3019 c1cncc(c1)CNCC2COC2 2230a_100015281925_100000741622 [0,1,0,1,0,0|2,0,0]=4 44830 B14R2.3019 c1cncc(c1)CNCC2COC2 270004a_100015281925_100000209961 [0,1,0,1,0,0|2,0,0]=4 44831 B14R2.3019 c1cncc(c1)CNCC2COC2 34a_100015281925_100000733263 [0,1,0,1,0,0|2,0,0]=4 44832 B14R2.3019 c1cncc(c1)CNC[C@@H]2CCO2 207a_100020831831_100000209961 [0,1,0,1,0,0|1,0,0]=3 44833 B14R2.3019 c1cncc(c1)CNC[C@@H]2CCO2 2230a_100020831831_100000741622 [0,1,0,1,0,0|1,0,0]=3 44834 B14R2.3019 c1cncc(c1)CNC[C@@H]2CCO2 270004a_100020831831_100000209961 [0,1,0,1,0,0|1,0,0]=3 44835 B14R2.3019 c1cncc(c1)CNC[C@@H]2CCO2 34a_100020831831_100000733263 [0,1,0,1,0,0|1,0,0]=3 44836 B14R2.3019 c1cncc(c1)COCC2CCC2 34a_100000760304_100000733263 [0,1,0,1,0,0|2,0,0]=4 44837 B14R2.3019 c1cncc(c1)COCC2CCO2 34a_100000039022_100000733263 [0,1,0,1,0,0|1,0,0]=3 44838 B14R2.3019 c1cncc(c1)COCC2COC2 34a_100000060846_100000733263 [0,1,0,1,0,0|2,0,0]=4 44839 B14R2.3019 c1cncc(c1)CSCC2CCC2 62a_100000741622_100000763275 [0,1,0,1,0,0|2,0,0]=4 44840 B14R2.3019 c1cncc(c1)CSCC2CCC2 62a_100000763275_100000741622 [0,1,0,1,0,0|2,0,0]=4 44841 B14R2.3019 c1cncc(c1)CSCC2CCO2 62a_100000103362_100000741622 [0,1,0,1,0,0|1,0,0]=3 44842 B14R2.3019 c1cncc(c1)CSCC2CCO2 62a_100000741622_100000103362 [0,1,0,1,0,0|1,0,0]=3 44843 B14R2.3019 c1cncc(c1)CSCC2COC2 62a_100000741622_100010264016 [0,1,0,1,0,0|2,0,0]=4 44844 B14R2.3019 c1cncc(c1)CSCC2COC2 62a_100010264016_100000741622 [0,1,0,1,0,0|2,0,0]=4 44845 B14R2.3019 c1cnnc(c1)CNCC2CCO2 2230a_100159270163_100000103362 [0,1,0,1,0,0|2,0,0]=4 44846 B14R2.3019 c1cnnc(c1)CNC[C@@H]2CCO2 2230a_100020831831_100016990269 [0,1,0,1,0,0|2,0,0]=4 44847 B14R2.3019 c1cnnc(c1)CNC[C@@H]2CCO2 34a_100020831831_100016990269 [0,1,0,1,0,0|2,0,0]=4 44848 B14R2.3019 c1cnnc(c1)COCC2CCO2 34a_100000039022_100016990269 [0,1,0,1,0,0|2,0,0]=4 44849 B14R2.3019 c1cnnc(c1)CSCC2CCO2 62a_100000103362_100016990269 [0,1,0,1,0,0|2,0,0]=4 44850 B14R2.3019 c1cnnc(c1)CSCC2CCO2 62a_100016990269_100000103362 [0,1,0,1,0,0|2,0,0]=4 44851 B14R2.3019 c1ncc(cn1)CNCC2CCO2 2230a_100011243677_100000103362 [0,1,0,1,0,0|2,0,0]=4 44852 B14R2.3019 c1ncc(cn1)CNC[C@@H]2CCO2 2230a_100020831831_100015196519 [0,1,0,1,0,0|2,0,0]=4 44853 B14R2.3019 c1ncc(cn1)CNC[C@@H]2CCO2 270004a_100020831831_100000749868 [0,1,0,1,0,0|2,0,0]=4 44854 B14R2.3019 c1ncc(cn1)CNC[C@@H]2CCO2 34a_100020831831_100015196519 [0,1,0,1,0,0|2,0,0]=4 44855 B14R2.3019 c1ncc(cn1)COCC2CCO2 34a_100000039022_100015196519 [0,1,0,1,0,0|2,0,0]=4 44856 B14R2.3019 c1ncc(cn1)CSCC2CCO2 62a_100000103362_100015196519 [0,1,0,1,0,0|2,0,0]=4 44857 B14R2.3019 c1ncc(cn1)CSCC2CCO2 62a_100015196519_100000103362 [0,1,0,1,0,0|2,0,0]=4 44858 B14R2.7150 CCNC1CCCc2c1cccc2 269862a_100015525214_100000210882 [0,1,0,1,0,0|1,0,0]=3 44859 B14R2.7150 CCNC1CCCc2c1cccn2 269862a_100015525214_100000058033 [0,1,0,1,0,0|2,0,0]=4 44860 B14R2.7150 CCNC1CCCc2c1ccnc2 2230a_100020634316_100000210202 [0,1,0,1,0,0|2,0,0]=4 44861 B14R2.7150 CCNC1CCCc2c1ccnc2 269862a_100015525214_100000087567 [0,1,0,1,0,0|2,0,0]=4 44862 B14R2.7150 CCNC1CCCc2c1cncc2 269862a_100015525214_100016991936 [0,1,0,1,0,0|2,0,0]=4 44863 B14R2.7150 CCNC1CCCc2c1nccc2 2230a_100011259139_100000210202 [0,1,0,1,0,0|2,0,0]=4 44864 B14R2.7150 CCNC1CCCc2c1nccc2 269862a_100015525214_100000067617 [0,1,0,1,0,0|2,0,0]=4 44865 B14R2.7150 CCNC1CCOc2c1cccc2 2230a_100015190321_100000210202 [0,1,0,1,0,0|2,0,0]=4 44866 B14R2.7150 CCNC1CCSc2c1cccc2 269862a_100015525214_100000183853 [0,1,0,1,0,0|2,0,0]=4 44867 B14R2.7150 CCNC1COCc2c1cccc2 269862a_100015525214_100000117393 [0,1,0,1,0,0|2,0,0]=4 44868 B14R2.7150 CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210202 [0,1,0,1,0,0|1,0,0]=3 44869 B14R2.7150 CCOC1CCCc2c1cccc2 34a_100000183665_100000210202 [0,1,0,1,0,0|1,0,0]=3 44870 B14R2.7150 CCOC1CCCc2c1cccc2 7a_100000183665_100000210202 [0,1,0,1,0,0|1,0,0]=3 44871 B14R2.7150 CCOC1CCOc2c1cccc2 7a_100000708930_100000210202 [0,1,0,1,0,0|2,0,0]=4 44872 B14R2.7150 CCOC1COCc2c1cccc2 34a_100012179175_100000210202 [0,1,0,1,0,0|2,0,0]=4 44873 B14R2.7150 CNCC1OCCc2c1cccc2 2230a_100000755408_200000210301 [0,1,0,1,0,0|2,0,0]=4 44874 B14R2.7150 CNCC1OCCc2c1cccc2 34a_100000755408_200000210301 [0,1,0,1,0,0|2,0,0]=4 44875 B14R2.7150 FCN[C@H]1CCCc2c1cccc2 34a_100020654734_100015361967 [0,1,0,1,0,0|1,0,0]=3 44876 B14R2.7150 FCOC1CCCc2c1cccc2 34a_100000183665_100015361967 [0,1,0,1,0,0|1,0,0]=3 44877 B14R2.7150 FCOC1CCCc2c1cccc2 7a_100000183665_100015361967 [0,1,0,1,0,0|1,0,0]=3 44878 B14R2.7150 FCOC1CCOc2c1cccc2 7a_100000708930_100015361967 [0,1,0,1,0,0|2,0,0]=4 44879 B14R2.7150 FCOC1COCc2c1cccc2 34a_100012179175_100015361967 [0,1,0,1,0,0|2,0,0]=4 44880 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 2230a_100000755408_200025704644 [0,1,0,1,0,0|2,0,0]=4 44881 B14R2.7150 [13CH3]NCC1OCCc2c1cccc2 34a_100000755408_200025704644 [0,1,0,1,0,0|2,0,0]=4 44882 B14R2.112 CCCN1CCc2ccccc2C1 2230a_100000188457_100000210303 [0,1,0,1,0,0|2,0,0]=4 44883 B14R2.112 CCCN1CCc2ccccc2C1 269982a_100000188457_100000210303 [0,1,0,1,0,0|2,0,0]=4 44884 B14R2.112 CCCN1CCc2ccccc2C1 34a_100000188457_100000210303 [0,1,0,1,0,0|2,0,0]=4 44885 B14R2.112 CCNC1CCc2ccccc2C1 2230a_100000748446_100000210202 [0,1,0,1,0,0|2,0,0]=4 44886 B14R2.112 CCNC1CCc2ccccc2C1 270004a_100015525214_100000212018 [0,1,0,1,0,0|2,0,0]=4 44887 B14R2.112 CCNC1CCc2ccccc2C1 34a_100000748446_100000210202 [0,1,0,1,0,0|2,0,0]=4 44888 B14R2.112 CCOC1CCc2ccccc2C1 34a_100011216300_100000210202 [0,1,0,1,0,0|2,0,0]=4 44889 B14R2.112 CCOC1CCc2ccccc2C1 7a_100011216300_100000210202 [0,1,0,1,0,0|2,0,0]=4 44890 B14R2.112 CNCC1CCc2ccccc2O1 2230a_100102422350_200000210301 [0,1,0,1,0,0|2,0,0]=4 44891 B14R2.112 CNCC1CCc2ccccc2O1 34a_100102422350_200000210301 [0,1,0,1,0,0|2,0,0]=4 44892 B14R2.112 COCC1CCc2ccccc2N1 34a_100012182721_200000210301 [0,1,0,1,0,0|2,0,0]=4 44893 B14R2.112 COCC1CCc2ccccc2O1 34a_100000068379_200000210301 [0,1,0,1,0,0|2,0,0]=4 44894 B14R2.112 COCC1CCc2ccccc2O1 7a_100000068379_200000210301 [0,1,0,1,0,0|2,0,0]=4 44895 B14R2.112 FCCN1CCc2ccccc2C1 2230a_100000188457_100011217306 [0,1,0,1,0,0|2,0,0]=4 44896 B14R2.112 FCCN1CCc2ccccc2C1 269982a_100000188457_100011217306 [0,1,0,1,0,0|2,0,0]=4 44897 B14R2.112 FCCN1CCc2ccccc2C1 34a_100000188457_100011217306 [0,1,0,1,0,0|2,0,0]=4 44898 B14R2.112 FCNC1CCc2ccccc2C1 34a_100000748446_100015361967 [0,1,0,1,0,0|2,0,0]=4 44899 B14R2.112 FCOC1CCc2ccccc2C1 34a_100011216300_100015361967 [0,1,0,1,0,0|2,0,0]=4 44900 B14R2.112 FCOC1CCc2ccccc2C1 7a_100011216300_100015361967 [0,1,0,1,0,0|2,0,0]=4 44901 B14R2.112 OCCN1CCc2ccccc2C1 2230a_100000188457_100000211926 [0,1,0,1,0,0|1,0,0]=3 44902 B14R2.112 OCCN1CCc2ccccc2C1 269982a_100000188457_100000211926 [0,1,0,1,0,0|1,0,0]=3 44903 B14R2.112 OCCN1CCc2ccccc2C1 34a_100000188457_100000211926 [0,1,0,1,0,0|1,0,0]=3 44904 B14R2.112 OCCN1CCc2cccnc2C1 2230a_100015206102_100000211926 [0,1,0,1,0,0|2,0,0]=4 44905 B14R2.112 OCCN1CCc2cccnc2C1 269982a_100015206102_100000211926 [0,1,0,1,0,0|2,0,0]=4 44906 B14R2.112 OCCN1CCc2ccncc2C1 2230a_100015190008_100000211926 [0,1,0,1,0,0|2,0,0]=4 44907 B14R2.112 OCCN1CCc2ccncc2C1 269982a_100015190008_100000211926 [0,1,0,1,0,0|2,0,0]=4 44908 B14R2.112 OCCN1CCc2cnccc2C1 2230a_100020645890_100000211926 [0,1,0,1,0,0|2,0,0]=4 44909 B14R2.112 OCCN1CCc2cnccc2C1 269982a_100020645890_100000211926 [0,1,0,1,0,0|2,0,0]=4 44910 B14R2.112 OCCN1CCc2ncccc2C1 2230a_100000699647_100000211926 [0,1,0,1,0,0|2,0,0]=4 44911 B14R2.112 OCCN1CCc2ncccc2C1 269982a_100000699647_100000211926 [0,1,0,1,0,0|2,0,0]=4 44912 B14R2.112 [13CH3]NCC1CCc2ccccc2O1 2230a_100102422350_200025704644 [0,1,0,1,0,0|2,0,0]=4 44913 B14R2.112 [13CH3]NCC1CCc2ccccc2O1 34a_100102422350_200025704644 [0,1,0,1,0,0|2,0,0]=4 44914 B14R2.112 [13CH3]OCC1CCc2ccccc2N1 34a_100012182721_200025704644 [0,1,0,1,0,0|2,0,0]=4 44915 B14R2.112 [13CH3]OCC1CCc2ccccc2O1 34a_100000068379_200025704644 [0,1,0,1,0,0|2,0,0]=4 44916 B14R2.112 [13CH3]OCC1CCc2ccccc2O1 7a_100000068379_200025704644 [0,1,0,1,0,0|2,0,0]=4 44917 B14R2.203 CCC1c2ccccc2CCN1C 2230a_100000755828_200000210301 [0,1,0,1,0,0|2,0,0]=4 44918 B14R2.203 CCC1c2ccccc2CCN1C 269982a_100000755828_200000210301 [0,1,0,1,0,0|2,0,0]=4 44919 B14R2.203 CCC1c2ccccc2CCN1C 34a_100000755828_200000210301 [0,1,0,1,0,0|2,0,0]=4 44920 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 2230a_100000755828_200025704644 [0,1,0,1,0,0|2,0,0]=4 44921 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 269982a_100000755828_200025704644 [0,1,0,1,0,0|2,0,0]=4 44922 B14R2.203 CCC1c2ccccc2CCN1[13CH3] 34a_100000755828_200025704644 [0,1,0,1,0,0|2,0,0]=4 44923 B14R2.203 CNC1c2ccccc2CCC1C 269862a_106832991636_100000696181 [0,1,0,1,0,0|2,0,0]=4 44924 B14R2.436 CC1CN(C1)CCc2ccccc2 2230a_100000702820_100000765856 [0,1,0,1,0,0|2,0,0]=4 44925 B14R2.436 CC1CN(C1)CCc2ccccc2 269982a_100000702820_100000765856 [0,1,0,1,0,0|2,0,0]=4 44926 B14R2.436 CC1CN(C1)CCc2ccccc2 34a_100000702820_100000765856 [0,1,0,1,0,0|2,0,0]=4 44927 B14R2.436 FC1CC(C1)NCc2ccccc2 207a_100016993743_100015611070 [0,1,0,1,0,0|2,0,0]=4 44928 B14R2.436 FC1CC(C1)NCc2ccccc2 2230a_100016993743_100015291786 [0,1,0,1,0,0|2,0,0]=4 44929 B14R2.436 FC1CC(C1)NCc2ccccc2 270004a_100016993743_100015611070 [0,1,0,1,0,0|2,0,0]=4 44930 B14R2.436 FC1CN(C1)CCc2ccccc2 2230a_100000690557_100000765856 [0,1,0,1,0,0|2,0,0]=4 44931 B14R2.436 FC1CN(C1)CCc2ccccc2 269982a_100000690557_100000765856 [0,1,0,1,0,0|2,0,0]=4 44932 B14R2.436 FC1CN(C1)CCc2ccccc2 34a_100000690557_100000765856 [0,1,0,1,0,0|2,0,0]=4 44933 B14R2.436 OC1CN(C1)CCc2ccccc2 269982a_100000749847_100000765856 [0,1,0,1,0,0|1,0,0]=3 44934 B14R2.436 OC1CN(C1)CCc2ccccn2 269982a_100000749847_100015183660 [0,1,0,1,0,0|2,0,0]=4 44935 B14R2.436 OC1CN(C1)CCc2cccnc2 269982a_100000749847_200011713674 [0,1,0,1,0,0|2,0,0]=4 44936 B14R2.436 OC1CN(C1)CCc2ccncc2 269982a_100000749847_100000723409 [0,1,0,1,0,0|2,0,0]=4 44937 B14R2.436 OC1CN(C1)CSc2ccccc2 269982a_100000749847_100011218342 [0,1,0,1,0,0|2,0,0]=4 44938 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccc2 207a_100020629032_100015611070 [0,1,0,1,0,0|1,0,0]=3 44939 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccc2 2230a_100020629032_100015291786 [0,1,0,1,0,0|1,0,0]=3 44940 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccc2 270004a_100020629032_100015611070 [0,1,0,1,0,0|1,0,0]=3 44941 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccn2 207a_100020629032_100000209966 [0,1,0,1,0,0|2,0,0]=4 44942 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccn2 2230a_100020629032_100000721315 [0,1,0,1,0,0|2,0,0]=4 44943 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccccn2 270004a_100020629032_100000209966 [0,1,0,1,0,0|2,0,0]=4 44944 B14R2.436 O[C@H]1C[C@@H](C1)NCc2cccnc2 207a_100020629032_100000209961 [0,1,0,1,0,0|2,0,0]=4 44945 B14R2.436 O[C@H]1C[C@@H](C1)NCc2cccnc2 2230a_100020629032_100000741622 [0,1,0,1,0,0|2,0,0]=4 44946 B14R2.436 O[C@H]1C[C@@H](C1)NCc2cccnc2 270004a_100020629032_100000209961 [0,1,0,1,0,0|2,0,0]=4 44947 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccncc2 207a_100020629032_100000186114 [0,1,0,1,0,0|2,0,0]=4 44948 B14R2.436 O[C@H]1C[C@@H](C1)NCc2ccncc2 2230a_100020629032_100015193705 [0,1,0,1,0,0|2,0,0]=4 44949 B14R2.2899 CC(NCc1ccccc1)C2CC2 207a_100000700016_100015611070 [0,1,0,1,0,0|2,0,0]=4 44950 B14R2.2899 CC(NCc1ccccc1)C2CC2 2230a_100000700016_100015291786 [0,1,0,1,0,0|2,0,0]=4 44951 B14R2.2899 CC(NCc1ccccc1)C2CC2 269862a_100015324214_100000210639 [0,1,0,1,0,0|2,0,0]=4 44952 B14R2.2899 CC(NCc1ccccc1)C2CC2 270004a_100000700016_100015611070 [0,1,0,1,0,0|2,0,0]=4 44953 B14R2.2899 CC(NCc1ccccc1)C2CC2 34a_100000700016_100015291786 [0,1,0,1,0,0|2,0,0]=4 44954 B14R2.2899 CC(NCc1ccccc1)C2CO2 270004a_100015324214_100000031964 [0,1,0,1,0,0|1,0,0]=3 44955 B14R2.2899 CC(NCc1ccccn1)C2CO2 270004a_100000210449_100000031964 [0,1,0,1,0,0|2,0,0]=4 44956 B14R2.2899 CC(NCc1cccnc1)C2CO2 270004a_100000210453_100000031964 [0,1,0,1,0,0|2,0,0]=4 44957 B14R2.2899 CC(OCc1ccccc1)C2CC2 34a_100000744524_100015291786 [0,1,0,1,0,0|2,0,0]=4 44958 B14R2.2899 CC(OCc1ccccc1)C2CC2 7a_100000744524_100000211182 [0,1,0,1,0,0|2,0,0]=4 44959 B14R2.2899 CN(CCc1ccccc1)C2CC2 2230a_100000226674_100000765856 [0,1,0,1,0,0|2,0,0]=4 44960 B14R2.2899 CN(CCc1ccccc1)C2CC2 269982a_100000207497_100000211595 [0,1,0,1,0,0|2,0,0]=4 44961 B14R2.2899 CN(CCc1ccccc1)C2CC2 269982a_100000226674_100000765856 [0,1,0,1,0,0|2,0,0]=4 44962 B14R2.2899 O=C(CCc1ccccc1)C2CC2 1458a_100000210395_100000765856 [0,1,0,1,0,0|1,0,1]=4 44963 B14R2.2899 O=C(CCc1ccccc1)C2CO2 1458a_100000701028_100000765856 [0,1,0,1,0,0|0,0,1]=3 44964 B14R2.2899 O=C(CCc1ccccn1)C2CO2 1458a_100000701028_100015183660 [0,1,0,1,0,0|1,0,1]=4 44965 B14R2.2899 O=C(CCc1cccnc1)C2CO2 1458a_100000701028_200011713674 [0,1,0,1,0,0|1,0,1]=4 44966 B14R2.2899 O=C(CCc1ccncc1)C2CO2 1458a_100000701028_100000723409 [0,1,0,1,0,0|1,0,1]=4 44967 B14R2.2899 O=C(NCc1ccccc1)C2CO2 11a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 44968 B14R2.2899 O=C(NCc1ccccc1)C2CO2 1626a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 44969 B14R2.2899 O=C(NCc1ccccc1)C2CO2 240690a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 44970 B14R2.2899 O=C(NCc1ccccc1)C2CO2 527a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 44971 B14R2.4656 CC1(CCC1)CNc2ccccc2 34a_100000106764_100000726658 [0,1,0,1,0,0|2,0,0]=4 44972 B14R2.4656 CC1(CCC1)COc2ccccc2 34a_100000210340_100000726658 [0,1,0,1,0,0|2,0,0]=4 44973 B14R2.4656 CC1(CCC1)COc2ccccc2 7a_100000210340_100000726658 [0,1,0,1,0,0|2,0,0]=4 44974 B14R2.4656 CC1(CCC1)CSc2ccccc2 62a_100000719477_100000726658 [0,1,0,1,0,0|2,0,0]=4 44975 B14R2.4656 CC1(CCC1)CSc2ccccc2 62a_100000726658_100000041952 [0,1,0,1,0,0|2,0,0]=4 44976 B14R2.4656 CC1(CCC1)NCc2ccccc2 207a_100000692455_100015611070 [0,1,0,1,0,0|2,0,0]=4 44977 B14R2.4656 CC1(CCC1)NCc2ccccc2 2230a_100000692455_100015291786 [0,1,0,1,0,0|2,0,0]=4 44978 B14R2.4656 CC1(CCC1)NCc2ccccc2 270004a_100000692455_100015611070 [0,1,0,1,0,0|2,0,0]=4 44979 B14R2.4656 CC1(CCC1)NCc2ccccc2 34a_100000692455_100015291786 [0,1,0,1,0,0|2,0,0]=4 44980 B14R2.4656 CC1(CCC1)OCc2ccccc2 34a_100000759064_100015291786 [0,1,0,1,0,0|2,0,0]=4 44981 B14R2.4656 CC1(CCC1)OCc2ccccc2 7a_100000759064_100000211182 [0,1,0,1,0,0|2,0,0]=4 44982 B14R2.9718 CC1(CCc2c1cccc2)OCF 34a_100000685031_100015361967 [0,1,0,1,0,0|2,0,0]=4 44983 B14R2.9718 CC1(CCc2c1cccc2)OCF 7a_100000685031_100015361967 [0,1,0,1,0,0|2,0,0]=4 44984 B14R2.9718 CCOC1(CCc2c1cccc2)C 34a_100000685031_100000210202 [0,1,0,1,0,0|2,0,0]=4 44985 B14R2.9718 CCOC1(CCc2c1cccc2)C 7a_100000685031_100000210202 [0,1,0,1,0,0|2,0,0]=4 44986 B14R2.33858 CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210303 [0,1,0,1,0,0|1,0,1]=4 44987 B14R2.33858 CCCN(C)C1Cc2c1cccc2 269982a_100000747261_100009813401 [0,1,0,1,0,0|2,0,0]=4 44988 B14R2.33858 CN(CCO)C1Cc2c1cccc2 269982a_100000210263_100009813401 [0,1,0,1,0,0|1,0,0]=3 44989 B14R2.33858 O=C(CCF)C1Cc2c1cccc2 1458a_200000238571_100011217306 [0,1,0,1,0,0|1,0,1]=4 44990 B14R2.33858 O=C(CCO)C1Cc2c1cccc2 1458a_200000238571_100000211926 [0,1,0,1,0,0|0,0,1]=3 44991 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 2230a_100016987628_100015291786 [0,1,0,1,0,0|2,0,0]=4 44992 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 269982a_100016987628_100000211182 [0,1,0,1,0,0|2,0,0]=4 44993 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 270004a_100016987628_100015611070 [0,1,0,1,0,0|2,0,0]=4 44994 B14R2.19 C[C@@H]1CCN(C1)Cc2ccccc2 34a_100016987628_100015291786 [0,1,0,1,0,0|2,0,0]=4 44995 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 2230a_100015203821_100015291786 [0,1,0,1,0,0|2,0,0]=4 44996 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 269982a_100015203821_100000211182 [0,1,0,1,0,0|2,0,0]=4 44997 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 270004a_100015203821_100015611070 [0,1,0,1,0,0|2,0,0]=4 44998 B14R2.19 F[C@H]1CCN(C1)Cc2ccccc2 34a_100015203821_100015291786 [0,1,0,1,0,0|2,0,0]=4 44999 B14R2.19 OC1CCN(C1)Cc2ccccc2 2230a_100011215560_100015291786 [0,1,0,1,0,0|1,0,0]=3 45000 B14R2.19 OC1CCN(C1)Cc2ccccc2 269982a_100011215560_100000211182 [0,1,0,1,0,0|1,0,0]=3 45001 B14R2.19 OC1CCN(C1)Cc2ccccc2 270004a_100011215560_100015611070 [0,1,0,1,0,0|1,0,0]=3 45002 B14R2.19 OC1CCN(C1)Cc2ccccn2 2230a_100011215560_100000721315 [0,1,0,1,0,0|2,0,0]=4 45003 B14R2.19 OC1CCN(C1)Cc2ccccn2 269982a_100011215560_100000721315 [0,1,0,1,0,0|2,0,0]=4 45004 B14R2.19 OC1CCN(C1)Cc2ccccn2 270004a_100011215560_100000209966 [0,1,0,1,0,0|2,0,0]=4 45005 B14R2.19 OC1CCN(C1)Cc2cccnc2 2230a_100011215560_100000741622 [0,1,0,1,0,0|2,0,0]=4 45006 B14R2.19 OC1CCN(C1)Cc2cccnc2 269982a_100011215560_100000733263 [0,1,0,1,0,0|2,0,0]=4 45007 B14R2.19 OC1CCN(C1)Cc2cccnc2 270004a_100011215560_100000209961 [0,1,0,1,0,0|2,0,0]=4 45008 B14R2.19 OC1CCN(C1)Cc2ccncc2 2230a_100011215560_100015193705 [0,1,0,1,0,0|2,0,0]=4 45009 B14R2.19 OC1CCN(C1)Cc2ccncc2 269982a_100011215560_100015193705 [0,1,0,1,0,0|2,0,0]=4 45010 B14R2.67 BrCCOC1Cc2ccccc2C1 34a_100000211926_100000753484 [0,1,0,1,0,0|2,0,0]=4 45011 B14R2.67 CCCCN1Cc2ccccc2C1 2230a_100000752595_100000210211 [0,1,0,1,0,0|2,0,0]=4 45012 B14R2.67 CCCCN1Cc2ccccc2C1 269982a_100000752595_100000210211 [0,1,0,1,0,0|2,0,0]=4 45013 B14R2.67 CCCCN1Cc2ccccc2C1 34a_100000752595_100000210210 [0,1,0,1,0,0|2,0,0]=4 45014 B14R2.67 CCCNC1Cc2ccccc2C1 2230a_100000753258_100000210303 [0,1,0,1,0,0|2,0,0]=4 45015 B14R2.67 CCCNC1Cc2ccccc2C1 34a_100000753258_100000210303 [0,1,0,1,0,0|2,0,0]=4 45016 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100000210258_100000753484 [0,1,0,1,0,0|2,0,0]=4 45017 B14R2.67 CCCOC1Cc2ccccc2C1 34a_100011215286_100000210303 [0,1,0,1,0,0|2,0,0]=4 45018 B14R2.67 CCCSC1Cc2ccccc2C1 62a_100000210303_100000753484 [0,1,0,1,0,0|2,0,0]=4 45019 B14R2.67 CCNCC1Cc2ccccc2C1 2230a_100000757167_100000210202 [0,1,0,1,0,0|2,0,0]=4 45020 B14R2.67 CCNCC1Cc2ccccc2C1 34a_100000757167_100000210202 [0,1,0,1,0,0|2,0,0]=4 45021 B14R2.67 CCNCC1Cc2ccccc2O1 2230a_100015207006_100000210202 [0,1,0,1,0,0|2,0,0]=4 45022 B14R2.67 CCNCC1Cc2ccccc2O1 34a_100015207006_100000210202 [0,1,0,1,0,0|2,0,0]=4 45023 B14R2.67 CCOCC1Cc2ccccc2C1 34a_100000720471_100000210202 [0,1,0,1,0,0|2,0,0]=4 45024 B14R2.67 CCOCC1Cc2ccccc2O1 34a_100011273944_100000210202 [0,1,0,1,0,0|2,0,0]=4 45025 B14R2.67 CCOC[C@@H]1Cc2ccccc2N1 34a_100011830367_100000210202 [0,1,0,1,0,0|2,0,0]=4 45026 B14R2.67 FCCCN1Cc2ccccc2C1 2230a_100000752595_100011934791 [0,1,0,1,0,0|2,0,0]=4 45027 B14R2.67 FCCCN1Cc2ccccc2C1 269982a_100000752595_100011934791 [0,1,0,1,0,0|2,0,0]=4 45028 B14R2.67 FCCCN1Cc2ccccc2C1 34a_100000752595_100011934791 [0,1,0,1,0,0|2,0,0]=4 45029 B14R2.67 FCCNC1Cc2ccccc2C1 2230a_100000753258_100011217306 [0,1,0,1,0,0|2,0,0]=4 45030 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000724931_100000753484 [0,1,0,1,0,0|2,0,0]=4 45031 B14R2.67 FCCNC1Cc2ccccc2C1 34a_100000753258_100011217306 [0,1,0,1,0,0|2,0,0]=4 45032 B14R2.67 FCCOC1Cc2ccccc2C1 34a_100011215286_100011217306 [0,1,0,1,0,0|2,0,0]=4 45033 B14R2.67 FCCSC1Cc2ccccc2C1 62a_100011217306_100000753484 [0,1,0,1,0,0|2,0,0]=4 45034 B14R2.67 FCNCC1Cc2ccccc2C1 34a_100000757167_100015361967 [0,1,0,1,0,0|2,0,0]=4 45035 B14R2.67 FCNCC1Cc2ccccc2O1 34a_100015207006_100015361967 [0,1,0,1,0,0|2,0,0]=4 45036 B14R2.67 FCOCC1Cc2ccccc2C1 34a_100000720471_100015361967 [0,1,0,1,0,0|2,0,0]=4 45037 B14R2.67 FCOCC1Cc2ccccc2O1 34a_100011273944_100015361967 [0,1,0,1,0,0|2,0,0]=4 45038 B14R2.67 FCOC[C@@H]1Cc2ccccc2N1 34a_100011830367_100015361967 [0,1,0,1,0,0|2,0,0]=4 45039 B14R2.67 NCCOC1Cc2ccccc2C1 34a_100000210304_100000753484 [0,1,0,1,0,0|2,0,0]=4 45040 B14R2.67 OCCCN1Cc2ccccc2C1 2230a_100000752595_100000230001 [0,1,0,1,0,0|1,0,0]=3 45041 B14R2.67 OCCCN1Cc2ccccc2C1 269982a_100000752595_100011215043 [0,1,0,1,0,0|1,0,0]=3 45042 B14R2.67 OCCCN1Cc2ccccc2C1 34a_100000752595_100000230001 [0,1,0,1,0,0|1,0,0]=3 45043 B14R2.67 OCCCN1Cc2cccnc2C1 269982a_100000726175_100011215043 [0,1,0,1,0,0|2,0,0]=4 45044 B14R2.67 OCCCN1Cc2ccncc2C1 2230a_100000730608_100000230001 [0,1,0,1,0,0|2,0,0]=4 45045 B14R2.67 OCCCN1Cc2ccncc2C1 269982a_100000730608_100011215043 [0,1,0,1,0,0|2,0,0]=4 45046 B14R2.67 OCCNC1Cc2ccccc2C1 2230a_100000753258_100000211926 [0,1,0,1,0,0|1,0,0]=3 45047 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100000753258_100000211926 [0,1,0,1,0,0|1,0,0]=3 45048 B14R2.67 OCCNC1Cc2ccccc2C1 34a_100016990907_100000753484 [0,1,0,1,0,0|1,0,0]=3 45049 B14R2.67 OCCOC1Cc2ccccc2C1 34a_100011215286_100000211926 [0,1,0,1,0,0|1,0,0]=3 45050 B14R2.67 OCCSC1Cc2ccccc2C1 62a_100000211926_100000753484 [0,1,0,1,0,0|1,0,0]=3 45051 B14R2.90 CCC1CN(C1)Cc2ccccc2 2230a_100015205115_100015291786 [0,1,0,1,0,0|2,0,0]=4 45052 B14R2.90 CCC1CN(C1)Cc2ccccc2 269982a_100015205115_100000211182 [0,1,0,1,0,0|2,0,0]=4 45053 B14R2.90 CCC1CN(C1)Cc2ccccc2 270004a_100015205115_100015611070 [0,1,0,1,0,0|2,0,0]=4 45054 B14R2.90 FCC1CN(C1)Cc2ccccc2 269982a_100010363649_100000211182 [0,1,0,1,0,0|2,0,0]=4 45055 B14R2.90 FCC1CN(C1)Cc2ccccc2 34a_100010363649_100015291786 [0,1,0,1,0,0|2,0,0]=4 45056 B14R2.90 OCC1CC(C1)Sc2ccccc2 62a_100000719477_100009874164 [0,1,0,1,0,0|1,0,0]=3 45057 B14R2.90 OCC1CC(C1)Sc2ccccc2 62a_100009874164_100000041952 [0,1,0,1,0,0|1,0,0]=3 45058 B14R2.90 OCC1CC(C1)Sc2ccccn2 62a_100009874164_100011216584 [0,1,0,1,0,0|2,0,0]=4 45059 B14R2.90 OCC1CC(C1)Sc2ccccn2 62a_100011216584_100009874164 [0,1,0,1,0,0|2,0,0]=4 45060 B14R2.90 OCC1CC(C1)Sc2cccnc2 62a_100000210063_100009874164 [0,1,0,1,0,0|2,0,0]=4 45061 B14R2.90 OCC1CC(C1)Sc2cccnc2 62a_100009874164_100000210063 [0,1,0,1,0,0|2,0,0]=4 45062 B14R2.90 OCC1CC(C1)Sc2ccncc2 62a_100000728582_100009874164 [0,1,0,1,0,0|2,0,0]=4 45063 B14R2.90 OCC1CC(C1)Sc2ccncc2 62a_100009874164_100000728582 [0,1,0,1,0,0|2,0,0]=4 45064 B14R2.90 OCC1CN(C1)Cc2ccccc2 269982a_100016987283_100000211182 [0,1,0,1,0,0|1,0,0]=3 45065 B14R2.90 OCC1CN(C1)Cc2ccccc2 34a_100016987283_100015291786 [0,1,0,1,0,0|1,0,0]=3 45066 B14R2.90 OCC1CN(C1)Cc2ccccn2 269982a_100016987283_100000721315 [0,1,0,1,0,0|2,0,0]=4 45067 B14R2.90 OCC1CN(C1)Cc2ccccn2 34a_100016987283_100000721315 [0,1,0,1,0,0|2,0,0]=4 45068 B14R2.90 OCC1CN(C1)Cc2cccnc2 269982a_100016987283_100000733263 [0,1,0,1,0,0|2,0,0]=4 45069 B14R2.90 OCC1CN(C1)Cc2cccnc2 34a_100016987283_100000733263 [0,1,0,1,0,0|2,0,0]=4 45070 B14R2.90 OCC1CN(C1)Cc2ccncc2 269982a_100016987283_100015193705 [0,1,0,1,0,0|2,0,0]=4 45071 B14R2.343 CC1CC1C(=O)Cc2ccccc2 1458a_100000211227_100015291786 [0,1,0,1,0,0|1,0,1]=4 45072 B14R2.343 O=C(Cc1ccccc1)[C@@H]2C[C@@H]2F 1458a_100015396687_100015291786 [0,1,0,1,0,0|1,0,1]=4 45073 B14R2.517 CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210202 [0,1,0,1,0,0|2,0,0]=4 45074 B14R2.9589 CC(Cc1ccccc1)N2CCC2 269982a_100000754969_200011218536 [0,1,0,1,0,0|2,0,0]=4 45075 B14R2.9589 CN(Cc1ccccc1)C2CCC2 2230a_100000758072_100015291786 [0,1,0,1,0,0|2,0,0]=4 45076 B14R2.9589 CN(Cc1ccccc1)C2CCC2 2230a_100025768344_200000210301 [0,1,0,1,0,0|2,0,0]=4 45077 B14R2.9589 CN(Cc1ccccc1)C2CCC2 269982a_100000186898_100000749161 [0,1,0,1,0,0|2,0,0]=4 45078 B14R2.9589 CN(Cc1ccccc1)C2CCC2 269982a_100000758072_100000211182 [0,1,0,1,0,0|2,0,0]=4 45079 B14R2.9589 CN(Cc1ccccc1)C2CCC2 269982a_100025768344_200000210301 [0,1,0,1,0,0|2,0,0]=4 45080 B14R2.9589 CN(Cc1ccccc1)C2CCC2 270004a_100000186898_100000241760 [0,1,0,1,0,0|2,0,0]=4 45081 B14R2.9589 CN(Cc1ccccc1)C2CCC2 270004a_100000758072_100015611070 [0,1,0,1,0,0|2,0,0]=4 45082 B14R2.9589 CN(Cc1ccccc1)C2CCC2 34a_100000758072_100015291786 [0,1,0,1,0,0|2,0,0]=4 45083 B14R2.9589 CN(Cc1ccccc1)C2CCC2 34a_100025768344_200000210301 [0,1,0,1,0,0|2,0,0]=4 45084 B14R2.9589 O=C(Cc1ccccc1)C2CCC2 1458a_100000209988_100015291786 [0,1,0,1,0,0|1,0,1]=4 45085 B14R2.9589 O=C(Cc1ccccc1)C2CCO2 1458a_100000089072_100015291786 [0,1,0,1,0,0|0,0,1]=3 45086 B14R2.9589 O=C(Cc1ccccn1)C2CCO2 1458a_100000089072_100000721315 [0,1,0,1,0,0|1,0,1]=4 45087 B14R2.9589 O=C(Cc1cccnc1)C2CCO2 1458a_100000089072_100000733263 [0,1,0,1,0,0|1,0,1]=4 45088 B14R2.9589 O=C(Cc1ccncc1)C2CCO2 1458a_100000089072_100000705612 [0,1,0,1,0,0|1,0,1]=4 45089 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 11a_100000106764_100000089072 [0,1,0,1,0,0|1,0,1]=4 45090 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 1626a_100000106764_100000089072 [0,1,0,1,0,0|1,0,1]=4 45091 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 22a_100000106764_100000089072 [0,1,0,1,0,0|1,0,1]=4 45092 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 527a_100000106764_100000089072 [0,1,0,1,0,0|1,0,1]=4 45093 B14R2.9589 [13CH3]N(Cc1ccccc1)C2CCC2 2230a_100025768344_200025704644 [0,1,0,1,0,0|2,0,0]=4 45094 B14R2.9589 [13CH3]N(Cc1ccccc1)C2CCC2 269982a_100025768344_200025704644 [0,1,0,1,0,0|2,0,0]=4 45095 B14R2.9589 [13CH3]N(Cc1ccccc1)C2CCC2 34a_100025768344_200025704644 [0,1,0,1,0,0|2,0,0]=4 45096 B14R2.9593 CC(Cc1ccccc1)NC2CC2 34a_100000212008_200011218536 [0,1,0,1,0,0|2,0,0]=4 45097 B14R2.9593 CC(Cc1ccccc1)OC2CC2 34a_100000748627_100000211595 [0,1,0,1,0,0|2,0,0]=4 45098 B14R2.9593 CC(Cc1ccccc1)SC2CC2 62a_200011218536_100000211595 [0,1,0,1,0,0|2,0,0]=4 45099 B14R2.9593 CN(Cc1ccccc1)CC2CC2 2230a_100000186374_200000210301 [0,1,0,1,0,0|2,0,0]=4 45100 B14R2.9593 CN(Cc1ccccc1)CC2CC2 2230a_100000186898_100000742324 [0,1,0,1,0,0|2,0,0]=4 45101 B14R2.9593 CN(Cc1ccccc1)CC2CC2 2230a_100000741881_100015291786 [0,1,0,1,0,0|2,0,0]=4 45102 B14R2.9593 CN(Cc1ccccc1)CC2CC2 269982a_100000186374_200000210301 [0,1,0,1,0,0|2,0,0]=4 45103 B14R2.9593 CN(Cc1ccccc1)CC2CC2 269982a_100000186898_100000756562 [0,1,0,1,0,0|2,0,0]=4 45104 B14R2.9593 CN(Cc1ccccc1)CC2CC2 269982a_100000741881_100000211182 [0,1,0,1,0,0|2,0,0]=4 45105 B14R2.9593 CN(Cc1ccccc1)CC2CC2 270004a_100000741881_100015611070 [0,1,0,1,0,0|2,0,0]=4 45106 B14R2.9593 CN(Cc1ccccc1)CC2CC2 34a_100000186374_200000210301 [0,1,0,1,0,0|2,0,0]=4 45107 B14R2.9593 CN(Cc1ccccc1)CC2CO2 2230a_100000186898_100011216344 [0,1,0,1,0,0|1,0,0]=3 45108 B14R2.9593 CN(Cc1ccccc1)CC2CO2 269982a_100000186898_102125554688 [0,1,0,1,0,0|1,0,0]=3 45109 B14R2.9593 CN(Cc1ccccc1)CC2CS2 269982a_100000186898_100000031435 [0,1,0,1,0,0|1,1,0]=4 45110 B14R2.9593 CN(Cc1ccccc1)C[C@@H]2CO2 269982a_100000186898_100000745022 [0,1,0,1,0,0|1,0,0]=3 45111 B14R2.9593 CN(Cc1ccccn1)CC2CO2 2230a_100000207498_100011216344 [0,1,0,1,0,0|2,0,0]=4 45112 B14R2.9593 CN(Cc1ccccn1)CC2CO2 269982a_100000207498_102125554688 [0,1,0,1,0,0|2,0,0]=4 45113 B14R2.9593 CN(Cc1ccccn1)C[C@@H]2CO2 269982a_100000207498_100000745022 [0,1,0,1,0,0|2,0,0]=4 45114 B14R2.9593 CN(Cc1cccnc1)CC2CO2 2230a_100000184577_100011216344 [0,1,0,1,0,0|2,0,0]=4 45115 B14R2.9593 CN(Cc1cccnc1)CC2CO2 269982a_100000184577_102125554688 [0,1,0,1,0,0|2,0,0]=4 45116 B14R2.9593 CN(Cc1cccnc1)C[C@@H]2CO2 269982a_100000184577_100000745022 [0,1,0,1,0,0|2,0,0]=4 45117 B14R2.9593 CN(Cc1ccncc1)CC2CO2 2230a_100000187231_100011216344 [0,1,0,1,0,0|2,0,0]=4 45118 B14R2.9593 CN(Cc1ccncc1)CC2CO2 269982a_100000187231_102125554688 [0,1,0,1,0,0|2,0,0]=4 45119 B14R2.9593 CN(Cc1ccncc1)C[C@@H]2CO2 269982a_100000187231_100000745022 [0,1,0,1,0,0|2,0,0]=4 45120 B14R2.9593 O=C(CC1CO1)C[n+]2ccccc2 1458a_200000086051_100011216344 [0,1,0,1,0,0|1,0,1]=4 45121 B14R2.9593 O=C(C[C@@H]1CO1)C[n+]2ccccc2 1458a_200000086051_100000745022 [0,1,0,1,0,0|1,0,1]=4 45122 B14R2.9593 O=C(Cc1ccccc1)CC2CC2 1458a_100000738066_100015291786 [0,1,0,1,0,0|1,0,1]=4 45123 B14R2.9593 O=C(Cc1ccccn1)CC2CO2 1458a_100000233486_100011216344 [0,1,0,1,0,0|1,0,1]=4 45124 B14R2.9593 O=C(Cc1ccccn1)C[C@@H]2CO2 1458a_100000233486_100000745022 [0,1,0,1,0,0|1,0,1]=4 45125 B14R2.9593 O=C(Cc1cccnc1)CC2CO2 1458a_100000737805_100011216344 [0,1,0,1,0,0|1,0,1]=4 45126 B14R2.9593 O=C(Cc1cccnc1)C[C@@H]2CO2 1458a_100000737805_100000745022 [0,1,0,1,0,0|1,0,1]=4 45127 B14R2.9593 [13CH3]N(Cc1ccccc1)CC2CC2 2230a_100000186374_200025704644 [0,1,0,1,0,0|2,0,0]=4 45128 B14R2.9593 [13CH3]N(Cc1ccccc1)CC2CC2 269982a_100000186374_200025704644 [0,1,0,1,0,0|2,0,0]=4 45129 B14R2.9593 [13CH3]N(Cc1ccccc1)CC2CC2 34a_100000186374_200025704644 [0,1,0,1,0,0|2,0,0]=4 45130 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [0,1,0,1,0,0|0,0,2]=4 45131 B14R2.2 CC(C)NC1CCc2c1cccc2 2230a_100138425928_200000721974 [0,1,0,1,0,0|2,0,0]=4 45132 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000210206 [0,1,0,1,0,0|2,0,0]=4 45133 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000210206 [0,1,0,1,0,0|2,0,0]=4 45134 B14R2.2 CC(C)OC1CCc2c1cccc2 34a_100000212247_100000210206 [0,1,0,1,0,0|2,0,0]=4 45135 B14R2.2 CC(C)OC1CCc2c1cccc2 7a_100000212247_100000210206 [0,1,0,1,0,0|2,0,0]=4 45136 B14R2.2 CC(C)SC1CCc2c1cccc2 62a_100000210206_200000721974 [0,1,0,1,0,0|2,0,0]=4 45137 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [0,1,0,1,0,0|0,0,2]=4 45138 B14R2.402 FC1(CC1CNc2ccccc2)F 34a_100000106764_100009817841 [0,1,0,1,0,0|2,0,0]=4 45139 B14R2.402 FC1(CC1COc2ccccc2)F 34a_100000210340_100009817841 [0,1,0,1,0,0|2,0,0]=4 45140 B14R2.402 FC1(CC1COc2ccccc2)F 7a_100000210340_100009817841 [0,1,0,1,0,0|2,0,0]=4 45141 B14R2.402 FC1(CC1CSc2ccccc2)F 62a_100000719477_100009817841 [0,1,0,1,0,0|2,0,0]=4 45142 B14R2.402 FC1(CC1CSc2ccccc2)F 62a_100009817841_100000041952 [0,1,0,1,0,0|2,0,0]=4 45143 B14R2.402 FC1(CC1NCc2ccccc2)F 2230a_100020610826_100015291786 [0,1,0,1,0,0|2,0,0]=4 45144 B14R2.402 FC1(CC1NCc2ccccc2)F 34a_100020610826_100015291786 [0,1,0,1,0,0|2,0,0]=4 45145 B14R2.764 CC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210206 [0,1,0,1,0,0|2,0,0]=4 45146 B14R2.764 CC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210206 [0,1,0,1,0,0|2,0,0]=4 45147 B14R2.764 CC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210206 [0,1,0,1,0,0|2,0,0]=4 45148 B14R2.780 CC(C)N1CCC1c2ccccc2 2230a_100000739605_100000210206 [0,1,0,1,0,0|2,0,0]=4 45149 B14R2.780 CC(C)N1CCC1c2ccccc2 269982a_100000739605_100000210206 [0,1,0,1,0,0|2,0,0]=4 45150 B14R2.790 CC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210206 [0,1,0,1,0,0|2,0,0]=4 45151 B14R2.790 CC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210206 [0,1,0,1,0,0|2,0,0]=4 45152 B14R2.31137 CC(C)CSC1Cc2c1cccc2 62a_100000210624_100009813401 [0,1,0,1,0,0|2,0,0]=4 45153 B14R2.31137 CC(C)CSC1Cc2c1cccc2 62a_100009813401_100000210760 [0,1,0,1,0,0|2,0,0]=4 45154 B14R2.31137 CC(C)OCC1Cc2c1cccc2 34a_100012476685_100000210206 [0,1,0,1,0,0|2,0,0]=4 45155 B14R2.31137 CC(C)OCC1Cc2c1cccc2 7a_100012476685_100000210206 [0,1,0,1,0,0|2,0,0]=4 45156 B14R2.31137 CC(O)CSC1Cc2c1cccc2 62a_100009813401_100011218427 [0,1,0,1,0,0|1,0,0]=3 45157 B14R2.31137 CC(O)CSC1Cc2c1cccc2 62a_100011218427_100009813401 [0,1,0,1,0,0|1,0,0]=3 45158 B14R2.31137 C[C@@H](O)CSC1Cc2c1cccc2 62a_100009813401_100009817552 [0,1,0,1,0,0|1,0,0]=3 45159 B14R2.31137 C[C@@H](O)CSC1Cc2c1cccc2 62a_100009817552_100009813401 [0,1,0,1,0,0|1,0,0]=3 45160 B14R2.31137 FC(F)CSC1Cc2c1cccc2 62a_100009813401_100011934356 [0,1,0,1,0,0|2,0,0]=4 45161 B14R2.31137 FC(F)CSC1Cc2c1cccc2 62a_100011934356_100009813401 [0,1,0,1,0,0|2,0,0]=4 45162 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [0,1,0,1,0,0|1,0,1]=4 45163 B14R2.31359 CC(=O)C1CCCc2c1cccc2 1458a_100011198263_200000210301 [0,1,0,1,0,0|0,0,2]=4 45164 B14R2.31359 CN(C)C1CCCc2c1cccc2 2230a_100000185324_200000210301 [0,1,0,1,0,0|2,0,0]=4 45165 B14R2.31359 CN(C)C1CCCc2c1cccc2 269982a_100000185324_200000210301 [0,1,0,1,0,0|2,0,0]=4 45166 B14R2.31359 CN(C)C1CCCc2c1cccc2 34a_100000185324_200000210301 [0,1,0,1,0,0|2,0,0]=4 45167 B14R2.31359 CN([13CH3])C1CCCc2c1cccc2 2230a_100000185324_200025704644 [0,1,0,1,0,0|2,0,0]=4 45168 B14R2.31359 CN([13CH3])C1CCCc2c1cccc2 269982a_100000185324_200025704644 [0,1,0,1,0,0|2,0,0]=4 45169 B14R2.31359 CN([13CH3])C1CCCc2c1cccc2 34a_100000185324_200025704644 [0,1,0,1,0,0|2,0,0]=4 45170 B14R2.31359 [13CH3]C(=O)C1CCCc2c1cccc2 1458a_100011198263_200025704644 [0,1,0,1,0,0|0,0,2]=4 45171 B14R2.7 CCNC1CCc2c1cccc2Br 2230a_100000751068_100000210202 [0,1,0,1,0,0|2,0,0]=4 45172 B14R2.7 CCNC1CCc2c1cccc2Br 269862a_100015525214_100000744605 [0,1,0,1,0,0|2,0,0]=4 45173 B14R2.7 CCNC1CCc2c1cccc2Br 34a_100000751068_100000210202 [0,1,0,1,0,0|2,0,0]=4 45174 B14R2.7 CCNC1CCc2c1cccc2C 269862a_100015525214_100000752022 [0,1,0,1,0,0|2,0,0]=4 45175 B14R2.7 CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210202 [0,1,0,1,0,0|2,0,0]=4 45176 B14R2.7 CCNC1CCc2c1cccc2Cl 269862a_100015525214_100000743251 [0,1,0,1,0,0|2,0,0]=4 45177 B14R2.7 CCNC1CCc2c1cccc2Cl 34a_100000743989_100000210202 [0,1,0,1,0,0|2,0,0]=4 45178 B14R2.7 CCNC1CCc2c1cccc2F 269862a_100015525214_100000743250 [0,1,0,1,0,0|2,0,0]=4 45179 B14R2.7 CCNC1CCc2c1cccc2I 269862a_100015525214_100000049675 [0,1,0,1,0,0|2,0,0]=4 45180 B14R2.7 CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210202 [0,1,0,1,0,0|2,0,0]=4 45181 B14R2.7 CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000210202 [0,1,0,1,0,0|2,0,0]=4 45182 B14R2.7 CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210202 [0,1,0,1,0,0|2,0,0]=4 45183 B14R2.7 CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000210202 [0,1,0,1,0,0|2,0,0]=4 45184 B14R2.7 CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210202 [0,1,0,1,0,0|2,0,0]=4 45185 B14R2.7 CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000210202 [0,1,0,1,0,0|2,0,0]=4 45186 B14R2.7 CCOC1CCc2c1cccc2C 34a_100011467954_100000210202 [0,1,0,1,0,0|2,0,0]=4 45187 B14R2.7 CCOC1CCc2c1cccc2C 7a_100011467954_100000210202 [0,1,0,1,0,0|2,0,0]=4 45188 B14R2.7 CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000210202 [0,1,0,1,0,0|2,0,0]=4 45189 B14R2.7 CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000210202 [0,1,0,1,0,0|2,0,0]=4 45190 B14R2.7 Cc1cccc2c1CCC2OCF 34a_100011467954_100015361967 [0,1,0,1,0,0|2,0,0]=4 45191 B14R2.7 Cc1cccc2c1CCC2OCF 7a_100011467954_100015361967 [0,1,0,1,0,0|2,0,0]=4 45192 B14R2.7 Cc1cccc2c1CC[C@@H]2NCF 34a_100134618347_100015361967 [0,1,0,1,0,0|2,0,0]=4 45193 B14R2.7 FCNC1CCc2c1cccc2Br 34a_100000751068_100015361967 [0,1,0,1,0,0|2,0,0]=4 45194 B14R2.7 FCNC1CCc2c1cccc2Cl 34a_100000743989_100015361967 [0,1,0,1,0,0|2,0,0]=4 45195 B14R2.7 FCN[C@H]1CCc2c1cccc2F 34a_100015193782_100015361967 [0,1,0,1,0,0|2,0,0]=4 45196 B14R2.7 FCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100015361967 [0,1,0,1,0,0|2,0,0]=4 45197 B14R2.7 FCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100015361967 [0,1,0,1,0,0|2,0,0]=4 45198 B14R2.7 Oc1cccc2c1CC[C@@H]2NCF 34a_100134616730_100015361967 [0,1,0,1,0,0|2,0,0]=4 45199 B14R2.50 Brc1ccccc1CN2CCCC2 2230a_100000188435_100000184730 [0,1,0,1,0,0|2,0,0]=4 45200 B14R2.50 Brc1ccccc1CN2CCCC2 269982a_100000188435_100000184730 [0,1,0,1,0,0|2,0,0]=4 45201 B14R2.50 Brc1ccccc1CN2CCCC2 26a_100000188435_100000181306 [0,1,0,1,0,0|2,0,0]=4 45202 B14R2.50 Brc1ccccc1CN2CCCC2 270004a_100000188435_100000211189 [0,1,0,1,0,0|2,0,0]=4 45203 B14R2.50 Brc1ccccc1NC2CCCC2 34a_100000210017_100000179811 [0,1,0,1,0,0|2,0,0]=4 45204 B14R2.50 Brc1ccccc1OC2CCCC2 34a_100000181306_100000179811 [0,1,0,1,0,0|2,0,0]=4 45205 B14R2.50 Brc1ccccc1OC2CCCC2 7a_100000181306_100000179811 [0,1,0,1,0,0|2,0,0]=4 45206 B14R2.50 Brc1ccccc1SC2CCCC2 62a_100000695589_100000179811 [0,1,0,1,0,0|2,0,0]=4 45207 B14R2.50 Brc1ccccc1SC2CCCC2 62a_100011217020_100000695589 [0,1,0,1,0,0|2,0,0]=4 45208 B14R2.50 Cc1ccccc1CN2CCCC2 2230a_100000188435_100000211839 [0,1,0,1,0,0|2,0,0]=4 45209 B14R2.50 Cc1ccccc1CN2CCCC2 269982a_100000188435_100000211839 [0,1,0,1,0,0|2,0,0]=4 45210 B14R2.50 Cc1ccccc1CN2CCCC2 270004a_100000188435_100000211143 [0,1,0,1,0,0|2,0,0]=4 45211 B14R2.50 Cc1ccccc1NC2CCCC2 34a_100015192222_100000179811 [0,1,0,1,0,0|2,0,0]=4 45212 B14R2.50 Cc1ccccc1OC2CCCC2 34a_100000210338_100000179811 [0,1,0,1,0,0|2,0,0]=4 45213 B14R2.50 Cc1ccccc1OC2CCCC2 7a_100000210338_100000179811 [0,1,0,1,0,0|2,0,0]=4 45214 B14R2.50 Cc1ccccc1SC2CCCC2 62a_100000210755_100000179811 [0,1,0,1,0,0|2,0,0]=4 45215 B14R2.50 Cc1ccccc1SC2CCCC2 62a_100011217020_100000210755 [0,1,0,1,0,0|2,0,0]=4 45216 B14R2.50 Clc1ccccc1CN2CCCC2 2230a_100000188435_100000187162 [0,1,0,1,0,0|2,0,0]=4 45217 B14R2.50 Clc1ccccc1CN2CCCC2 269982a_100000188435_100000187162 [0,1,0,1,0,0|2,0,0]=4 45218 B14R2.50 Clc1ccccc1CN2CCCC2 26a_100000188435_100000210172 [0,1,0,1,0,0|2,0,0]=4 45219 B14R2.50 Clc1ccccc1CN2CCCC2 270004a_100000188435_100000210073 [0,1,0,1,0,0|2,0,0]=4 45220 B14R2.50 Clc1ccccc1NC2CCCC2 34a_100000185783_100000179811 [0,1,0,1,0,0|2,0,0]=4 45221 B14R2.50 Clc1ccccc1OC2CCCC2 34a_100000210172_100000179811 [0,1,0,1,0,0|2,0,0]=4 45222 B14R2.50 Clc1ccccc1OC2CCCC2 7a_100000210172_100000179811 [0,1,0,1,0,0|2,0,0]=4 45223 B14R2.50 Clc1ccccc1SC2CCCC2 62a_100000764095_100000179811 [0,1,0,1,0,0|2,0,0]=4 45224 B14R2.50 Clc1ccccc1SC2CCCC2 62a_100011217020_100000764095 [0,1,0,1,0,0|2,0,0]=4 45225 B14R2.50 Fc1ccccc1CN2CCCC2 2230a_100000188435_100000211605 [0,1,0,1,0,0|2,0,0]=4 45226 B14R2.50 Fc1ccccc1CN2CCCC2 269982a_100000188435_100000211605 [0,1,0,1,0,0|2,0,0]=4 45227 B14R2.50 Fc1ccccc1CN2CCCC2 270004a_100000188435_100000210811 [0,1,0,1,0,0|2,0,0]=4 45228 B14R2.50 Fc1ccccc1NC2CCCC2 34a_100000210422_100000179811 [0,1,0,1,0,0|2,0,0]=4 45229 B14R2.50 Fc1ccccc1OC2CCCC2 34a_100000210171_100000179811 [0,1,0,1,0,0|2,0,0]=4 45230 B14R2.50 Fc1ccccc1OC2CCCC2 7a_100000210171_100000179811 [0,1,0,1,0,0|2,0,0]=4 45231 B14R2.50 Fc1ccccc1SC2CCCC2 62a_100011215700_100000179811 [0,1,0,1,0,0|2,0,0]=4 45232 B14R2.50 Fc1ccccc1SC2CCCC2 62a_100011217020_100011215700 [0,1,0,1,0,0|2,0,0]=4 45233 B14R2.50 Ic1ccccc1CN2CCCC2 2230a_100000188435_100011215278 [0,1,0,1,0,0|2,0,0]=4 45234 B14R2.50 Ic1ccccc1CN2CCCC2 269982a_100000188435_100011215278 [0,1,0,1,0,0|2,0,0]=4 45235 B14R2.50 Ic1ccccc1CN2CCCC2 270004a_100000188435_100000010305 [0,1,0,1,0,0|2,0,0]=4 45236 B14R2.50 Ic1ccccc1NC2CCCC2 34a_100000210053_100000179811 [0,1,0,1,0,0|2,0,0]=4 45237 B14R2.50 Ic1ccccc1OC2CCCC2 34a_100000739446_100000179811 [0,1,0,1,0,0|2,0,0]=4 45238 B14R2.50 Ic1ccccc1OC2CCCC2 7a_100000739446_100000179811 [0,1,0,1,0,0|2,0,0]=4 45239 B14R2.50 Nc1ccccc1OC2CCCC2 34a_100000185747_100000179811 [0,1,0,1,0,0|2,0,0]=4 45240 B14R2.50 Nc1ccccc1OC2CCCC2 7a_100000185747_100000179811 [0,1,0,1,0,0|2,0,0]=4 45241 B14R2.50 Nc1ccccc1SC2CCCC2 62a_100000210017_100000179811 [0,1,0,1,0,0|2,0,0]=4 45242 B14R2.50 Nc1ccccc1SC2CCCC2 62a_100011217020_100000210017 [0,1,0,1,0,0|2,0,0]=4 45243 B14R2.50 Oc1ccccc1NC2CCCC2 34a_100000185747_100000179811 [0,1,0,1,0,0|2,0,0]=4 45244 B14R2.50 Oc1ccccc1OC2CCCC2 271570a_203496583355_100011214840 [0,1,0,1,0,0|2,0,0]=4 45245 B14R2.50 Oc1ccccc1SC2CCCC2 62a_100000739446_100000179811 [0,1,0,1,0,0|2,0,0]=4 45246 B14R2.50 Oc1ccccc1SC2CCCC2 62a_100011217020_100000739446 [0,1,0,1,0,0|2,0,0]=4 45247 B14R2.143 CCN1CCCc2ccccc2C1 2230a_100000059810_100000210202 [0,1,0,1,0,0|2,0,0]=4 45248 B14R2.143 CCN1CCCc2ccccc2C1 269982a_100000059810_100000204670 [0,1,0,1,0,0|2,0,0]=4 45249 B14R2.143 CCN1CCCc2ccccc2C1 34a_100000059810_100000210202 [0,1,0,1,0,0|2,0,0]=4 45250 B14R2.143 FCN1CCCc2ccccc2C1 269982a_100000059810_100015361967 [0,1,0,1,0,0|2,0,0]=4 45251 B14R2.143 FCN1CCCc2ccccc2C1 34a_100000059810_100015361967 [0,1,0,1,0,0|2,0,0]=4 45252 B14R2.294 Cc1ccccc1CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000211839 [0,1,0,1,0,0|2,0,0]=4 45253 B14R2.294 Cc1ccccc1CN[C@@H]2C[C@H]2F 2230a_100025746932_100000211839 [0,1,0,1,0,0|2,0,0]=4 45254 B14R2.294 Cc1ccccc1CN[C@@H]2C[C@H]2F 34a_100025746932_100000211839 [0,1,0,1,0,0|2,0,0]=4 45255 B14R2.294 F[C@@H]1C[C@H]1NCc2ccccc2Br 2230a_100025746932_100000184730 [0,1,0,1,0,0|2,0,0]=4 45256 B14R2.294 F[C@@H]1C[C@H]1NCc2ccccc2Br 34a_100025746932_100000184730 [0,1,0,1,0,0|2,0,0]=4 45257 B14R2.294 F[C@@H]1C[C@H]1NCc2ccccc2Cl 2230a_100025746932_100000187162 [0,1,0,1,0,0|2,0,0]=4 45258 B14R2.294 F[C@@H]1C[C@H]1NCc2ccccc2Cl 34a_100025746932_100000187162 [0,1,0,1,0,0|2,0,0]=4 45259 B14R2.294 F[C@@H]1C[C@H]1NCc2ccccc2I 2230a_100025746932_100011215278 [0,1,0,1,0,0|2,0,0]=4 45260 B14R2.294 F[C@@H]1C[C@H]1NCc2ccccc2I 34a_100025746932_100011215278 [0,1,0,1,0,0|2,0,0]=4 45261 B14R2.294 F[C@H]1C[C@H]1NCc2ccccc2Br 2230a_100015190264_100000184730 [0,1,0,1,0,0|2,0,0]=4 45262 B14R2.294 F[C@H]1C[C@H]1NCc2ccccc2Cl 2230a_100015190264_100000187162 [0,1,0,1,0,0|2,0,0]=4 45263 B14R2.294 F[C@H]1C[C@H]1NCc2ccccc2I 2230a_100015190264_100011215278 [0,1,0,1,0,0|2,0,0]=4 45264 B14R2.294 Fc1ccccc1CN[C@@H]2C[C@@H]2F 2230a_100015190264_100000211605 [0,1,0,1,0,0|2,0,0]=4 45265 B14R2.294 Fc1ccccc1CN[C@@H]2C[C@H]2F 2230a_100025746932_100000211605 [0,1,0,1,0,0|2,0,0]=4 45266 B14R2.294 Fc1ccccc1CN[C@@H]2C[C@H]2F 34a_100025746932_100000211605 [0,1,0,1,0,0|2,0,0]=4 45267 B14R2.296 CN1CCCC1c2ccccc2Br 2230a_100000686366_200000210301 [0,1,0,1,0,0|2,0,0]=4 45268 B14R2.296 CN1CCCC1c2ccccc2Br 269982a_100000686366_200000210301 [0,1,0,1,0,0|2,0,0]=4 45269 B14R2.296 CN1CCCC1c2ccccc2Br 34a_100000686366_200000210301 [0,1,0,1,0,0|2,0,0]=4 45270 B14R2.296 CN1CCCC1c2ccccc2Cl 2230a_100000742539_200000210301 [0,1,0,1,0,0|2,0,0]=4 45271 B14R2.296 CN1CCCC1c2ccccc2Cl 269982a_100000742539_200000210301 [0,1,0,1,0,0|2,0,0]=4 45272 B14R2.296 CN1CCCC1c2ccccc2Cl 34a_100000742539_200000210301 [0,1,0,1,0,0|2,0,0]=4 45273 B14R2.296 CN1CCCC1c2ccccc2F 2230a_100011206064_200000210301 [0,1,0,1,0,0|2,0,0]=4 45274 B14R2.296 CN1CCCC1c2ccccc2F 269982a_100011206064_200000210301 [0,1,0,1,0,0|2,0,0]=4 45275 B14R2.296 CN1CCCC1c2ccccc2F 34a_100011206064_200000210301 [0,1,0,1,0,0|2,0,0]=4 45276 B14R2.296 Cc1ccccc1C2CCCN2C 2230a_100000742541_200000210301 [0,1,0,1,0,0|2,0,0]=4 45277 B14R2.296 Cc1ccccc1C2CCCN2C 269982a_100000742541_200000210301 [0,1,0,1,0,0|2,0,0]=4 45278 B14R2.296 Cc1ccccc1C2CCCN2C 34a_100000742541_200000210301 [0,1,0,1,0,0|2,0,0]=4 45279 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 2230a_100000742541_200025704644 [0,1,0,1,0,0|2,0,0]=4 45280 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 269982a_100000742541_200025704644 [0,1,0,1,0,0|2,0,0]=4 45281 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 34a_100000742541_200025704644 [0,1,0,1,0,0|2,0,0]=4 45282 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 2230a_100000686366_200025704644 [0,1,0,1,0,0|2,0,0]=4 45283 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 269982a_100000686366_200025704644 [0,1,0,1,0,0|2,0,0]=4 45284 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 34a_100000686366_200025704644 [0,1,0,1,0,0|2,0,0]=4 45285 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 2230a_100000742539_200025704644 [0,1,0,1,0,0|2,0,0]=4 45286 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 269982a_100000742539_200025704644 [0,1,0,1,0,0|2,0,0]=4 45287 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 34a_100000742539_200025704644 [0,1,0,1,0,0|2,0,0]=4 45288 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 2230a_100011206064_200025704644 [0,1,0,1,0,0|2,0,0]=4 45289 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 269982a_100011206064_200025704644 [0,1,0,1,0,0|2,0,0]=4 45290 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 34a_100011206064_200025704644 [0,1,0,1,0,0|2,0,0]=4 45291 B14R2.479 CCNC1CC1c2ccccc2F 2230a_100000753450_100000210202 [0,1,0,1,0,0|2,0,0]=4 45292 B14R2.479 CCNC1CC1c2ccccc2F 34a_100000753450_100000210202 [0,1,0,1,0,0|2,0,0]=4 45293 B14R2.479 FCNC1CC1c2ccccc2F 34a_100000753450_100015361967 [0,1,0,1,0,0|2,0,0]=4 45294 B14R2.662 CC1CCN1Cc2ccccc2Br 269982a_100000755817_100000184730 [0,1,0,1,0,0|2,0,0]=4 45295 B14R2.662 CC1CCN1Cc2ccccc2Br 26a_100000755817_100000181306 [0,1,0,1,0,0|2,0,0]=4 45296 B14R2.662 CC1CCN1Cc2ccccc2Br 34a_100000755817_100000184730 [0,1,0,1,0,0|2,0,0]=4 45297 B14R2.662 CC1CCN1Cc2ccccc2Cl 269982a_100000755817_100000187162 [0,1,0,1,0,0|2,0,0]=4 45298 B14R2.662 CC1CCN1Cc2ccccc2Cl 26a_100000755817_100000210172 [0,1,0,1,0,0|2,0,0]=4 45299 B14R2.662 CC1CCN1Cc2ccccc2Cl 34a_100000755817_100000187162 [0,1,0,1,0,0|2,0,0]=4 45300 B14R2.662 CC1CCN1Cc2ccccc2F 269982a_100000755817_100000211605 [0,1,0,1,0,0|2,0,0]=4 45301 B14R2.662 CC1CCN1Cc2ccccc2F 34a_100000755817_100000211605 [0,1,0,1,0,0|2,0,0]=4 45302 B14R2.662 CC1CCN1Cc2ccccc2I 269982a_100000755817_100011215278 [0,1,0,1,0,0|2,0,0]=4 45303 B14R2.662 CC1CCN1Cc2ccccc2I 34a_100000755817_100011215278 [0,1,0,1,0,0|2,0,0]=4 45304 B14R2.662 Cc1ccccc1CN2CCC2C 269982a_100000755817_100000211839 [0,1,0,1,0,0|2,0,0]=4 45305 B14R2.662 Cc1ccccc1CN2CCC2C 34a_100000755817_100000211839 [0,1,0,1,0,0|2,0,0]=4 45306 B14R2.1078 CNC1CCCc2c1cccc2Br 2230a_100020639248_200000210301 [0,1,0,1,0,0|2,0,0]=4 45307 B14R2.1078 CNC1CCCc2c1cccc2Br 269862a_106832991636_100000691372 [0,1,0,1,0,0|2,0,0]=4 45308 B14R2.1078 CNC1CCCc2c1cccc2Br 34a_100020639248_200000210301 [0,1,0,1,0,0|2,0,0]=4 45309 B14R2.1078 CNC1CCCc2c1cccc2Cl 269862a_106832991636_100000063505 [0,1,0,1,0,0|2,0,0]=4 45310 B14R2.1078 CNC1CCCc2c1cccc2F 2230a_100000085590_200000210301 [0,1,0,1,0,0|2,0,0]=4 45311 B14R2.1078 CNC1CCCc2c1cccc2F 269862a_106832991636_100000087435 [0,1,0,1,0,0|2,0,0]=4 45312 B14R2.1078 CNC1CCCc2c1cccc2F 34a_100000085590_200000210301 [0,1,0,1,0,0|2,0,0]=4 45313 B14R2.1078 CNC1CCCc2c1cccc2O 269862a_106832991636_100000763485 [0,1,0,1,0,0|2,0,0]=4 45314 B14R2.1078 CN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_200000210301 [0,1,0,1,0,0|2,0,0]=4 45315 B14R2.1078 CN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_200000210301 [0,1,0,1,0,0|2,0,0]=4 45316 B14R2.1078 COC1CCCc2c1cccc2Br 34a_100009815610_200000210301 [0,1,0,1,0,0|2,0,0]=4 45317 B14R2.1078 COC1CCCc2c1cccc2Br 7a_100009815610_200000210301 [0,1,0,1,0,0|2,0,0]=4 45318 B14R2.1078 [13CH3]NC1CCCc2c1cccc2Br 2230a_100020639248_200025704644 [0,1,0,1,0,0|2,0,0]=4 45319 B14R2.1078 [13CH3]NC1CCCc2c1cccc2Br 34a_100020639248_200025704644 [0,1,0,1,0,0|2,0,0]=4 45320 B14R2.1078 [13CH3]NC1CCCc2c1cccc2F 2230a_100000085590_200025704644 [0,1,0,1,0,0|2,0,0]=4 45321 B14R2.1078 [13CH3]NC1CCCc2c1cccc2F 34a_100000085590_200025704644 [0,1,0,1,0,0|2,0,0]=4 45322 B14R2.1078 [13CH3]N[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_200025704644 [0,1,0,1,0,0|2,0,0]=4 45323 B14R2.1078 [13CH3]N[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_200025704644 [0,1,0,1,0,0|2,0,0]=4 45324 B14R2.1078 [13CH3]OC1CCCc2c1cccc2Br 34a_100009815610_200025704644 [0,1,0,1,0,0|2,0,0]=4 45325 B14R2.1078 [13CH3]OC1CCCc2c1cccc2Br 7a_100009815610_200025704644 [0,1,0,1,0,0|2,0,0]=4 45326 B14R2.4622 Brc1ccccc1CCNC2CC2 34a_100000212008_100012161201 [0,1,0,1,0,0|2,0,0]=4 45327 B14R2.4622 Brc1ccccc1CCNC2CC2 34a_100000747383_100000211595 [0,1,0,1,0,0|2,0,0]=4 45328 B14R2.4622 Brc1ccccc1CCOC2CC2 34a_100000731337_100000211595 [0,1,0,1,0,0|2,0,0]=4 45329 B14R2.4622 Brc1ccccc1CCSC2CC2 62a_100012161201_100000211595 [0,1,0,1,0,0|2,0,0]=4 45330 B14R2.4622 Brc1ccccc1CNCC2CC2 207a_100000735609_100000211189 [0,1,0,1,0,0|2,0,0]=4 45331 B14R2.4622 Brc1ccccc1CNCC2CC2 2230a_100000689332_100000742324 [0,1,0,1,0,0|2,0,0]=4 45332 B14R2.4622 Brc1ccccc1CNCC2CC2 2230a_100000735609_100000184730 [0,1,0,1,0,0|2,0,0]=4 45333 B14R2.4622 Brc1ccccc1CNCC2CC2 269862a_100000689332_100000741477 [0,1,0,1,0,0|2,0,0]=4 45334 B14R2.4622 Brc1ccccc1CNCC2CC2 270004a_100000735609_100000211189 [0,1,0,1,0,0|2,0,0]=4 45335 B14R2.4622 Brc1ccccc1CNCC2CC2 34a_100000689332_100000742324 [0,1,0,1,0,0|2,0,0]=4 45336 B14R2.4622 Brc1ccccc1CNCC2CC2 34a_100000735609_100000184730 [0,1,0,1,0,0|2,0,0]=4 45337 B14R2.4622 Brc1ccccc1CNCC2CO2 2230a_100000689332_100011216344 [0,1,0,1,0,0|1,0,0]=3 45338 B14R2.4622 Brc1ccccc1CNCC2CO2 34a_100000689332_102125554688 [0,1,0,1,0,0|1,0,0]=3 45339 B14R2.4622 Brc1ccccc1COCC2CC2 34a_100000211283_100000184730 [0,1,0,1,0,0|2,0,0]=4 45340 B14R2.4622 Brc1ccccc1COCC2CC2 34a_100000756307_100000742324 [0,1,0,1,0,0|2,0,0]=4 45341 B14R2.4622 Brc1ccccc1COCC2CC2 7a_100000756307_100000742324 [0,1,0,1,0,0|2,0,0]=4 45342 B14R2.4622 Brc1ccccc1COCC2CO2 34a_100000756307_102125554688 [0,1,0,1,0,0|1,0,0]=3 45343 B14R2.4622 Brc1ccccc1COCC2CO2 7a_100000756307_102125554688 [0,1,0,1,0,0|1,0,0]=3 45344 B14R2.4622 Brc1ccccc1COCC2CS2 7a_100000756307_100000031435 [0,1,0,1,0,0|1,1,0]=4 45345 B14R2.4622 Brc1ccccc1COC[C@@H]2CO2 34a_100000757423_100000184730 [0,1,0,1,0,0|1,0,0]=3 45346 B14R2.4622 Brc1ccccc1COC[C@@H]2CO2 7a_100000756307_100000745022 [0,1,0,1,0,0|1,0,0]=3 45347 B14R2.4622 Brc1ccccc1CSCC2CC2 62a_100000184730_100000742324 [0,1,0,1,0,0|2,0,0]=4 45348 B14R2.4622 Brc1ccccc1CSCC2CC2 62a_100000756562_100000184730 [0,1,0,1,0,0|2,0,0]=4 45349 B14R2.4622 Brc1ccccc1CSCC2CO2 62a_100000184730_102125554688 [0,1,0,1,0,0|1,0,0]=3 45350 B14R2.4622 Brc1ccccc1CSCC2CO2 62a_102125554688_100000184730 [0,1,0,1,0,0|1,0,0]=3 45351 B14R2.4622 Brc1ccccc1CSCC2CS2 62a_100000031435_100000184730 [0,1,0,1,0,0|1,1,0]=4 45352 B14R2.4622 Brc1ccccc1CSCC2CS2 62a_100000184730_100000031435 [0,1,0,1,0,0|1,1,0]=4 45353 B14R2.4622 Brc1ccccc1CSC[C@@H]2CO2 62a_100000184730_100000745022 [0,1,0,1,0,0|1,0,0]=3 45354 B14R2.4622 Brc1ccccc1CSC[C@@H]2CO2 62a_100000745022_100000184730 [0,1,0,1,0,0|1,0,0]=3 45355 B14R2.4622 Brc1ccccc1NCCC2CC2 34a_100000210017_100000694398 [0,1,0,1,0,0|2,0,0]=4 45356 B14R2.4622 Brc1ccccc1NCCC2CO2 34a_100000210017_100000732470 [0,1,0,1,0,0|1,0,0]=3 45357 B14R2.4622 Brc1ccccc1OCCC2CC2 34a_100000181306_100000694398 [0,1,0,1,0,0|2,0,0]=4 45358 B14R2.4622 Brc1ccccc1OCCC2CC2 7a_100000181306_100000764125 [0,1,0,1,0,0|2,0,0]=4 45359 B14R2.4622 Brc1ccccc1OCCC2CO2 34a_100000181306_100000732470 [0,1,0,1,0,0|1,0,0]=3 45360 B14R2.4622 Brc1ccccc1OCCC2CO2 7a_100000181306_100000732470 [0,1,0,1,0,0|1,0,0]=3 45361 B14R2.4622 Brc1ccccc1SCCC2CC2 62a_100000695589_100000764125 [0,1,0,1,0,0|2,0,0]=4 45362 B14R2.4622 Brc1ccccc1SCCC2CC2 62a_100000764125_100000695589 [0,1,0,1,0,0|2,0,0]=4 45363 B14R2.4622 Brc1ccccc1SCCC2CO2 62a_100000695589_100000732470 [0,1,0,1,0,0|1,0,0]=3 45364 B14R2.4622 Brc1ccccc1SCCC2CO2 62a_100000732470_100000695589 [0,1,0,1,0,0|1,0,0]=3 45365 B14R2.4622 Brc1cccnc1COCC2CO2 34a_100011996772_102125554688 [0,1,0,1,0,0|2,0,0]=4 45366 B14R2.4622 Brc1cccnc1COC[C@@H]2CO2 34a_100000757423_100025702911 [0,1,0,1,0,0|2,0,0]=4 45367 B14R2.4622 Brc1cccnc1CSCC2CO2 62a_100025702911_102125554688 [0,1,0,1,0,0|2,0,0]=4 45368 B14R2.4622 Brc1cccnc1CSCC2CO2 62a_102125554688_100025702911 [0,1,0,1,0,0|2,0,0]=4 45369 B14R2.4622 Brc1cccnc1CSC[C@@H]2CO2 62a_100000745022_100025702911 [0,1,0,1,0,0|2,0,0]=4 45370 B14R2.4622 Brc1cccnc1CSC[C@@H]2CO2 62a_100025702911_100000745022 [0,1,0,1,0,0|2,0,0]=4 45371 B14R2.4622 Brc1cccnc1SCCC2CO2 62a_100000696092_100000732470 [0,1,0,1,0,0|2,0,0]=4 45372 B14R2.4622 Brc1cccnc1SCCC2CO2 62a_100000732470_100000696092 [0,1,0,1,0,0|2,0,0]=4 45373 B14R2.4622 Brc1ccncc1SCCC2CO2 62a_100000732470_100010138639 [0,1,0,1,0,0|2,0,0]=4 45374 B14R2.4622 Brc1ccncc1SCCC2CO2 62a_100010138639_100000732470 [0,1,0,1,0,0|2,0,0]=4 45375 B14R2.4622 Brc1cnccc1OCCC2CO2 34a_100011996408_100000732470 [0,1,0,1,0,0|2,0,0]=4 45376 B14R2.4622 Brc1cnccc1SCCC2CO2 62a_100000726257_100000732470 [0,1,0,1,0,0|2,0,0]=4 45377 B14R2.4622 Brc1cnccc1SCCC2CO2 62a_100000732470_100000726257 [0,1,0,1,0,0|2,0,0]=4 45378 B14R2.4622 Brc1ncccc1CNCC2CO2 2230a_100009818023_100011216344 [0,1,0,1,0,0|2,0,0]=4 45379 B14R2.4622 Brc1ncccc1CNCC2CO2 34a_100009818023_102125554688 [0,1,0,1,0,0|2,0,0]=4 45380 B14R2.4622 Brc1ncccc1COCC2CO2 34a_100000719692_102125554688 [0,1,0,1,0,0|2,0,0]=4 45381 B14R2.4622 Brc1ncccc1COCC2CO2 7a_100000719692_102125554688 [0,1,0,1,0,0|2,0,0]=4 45382 B14R2.4622 Brc1ncccc1COC[C@@H]2CO2 34a_100000757423_100010140945 [0,1,0,1,0,0|2,0,0]=4 45383 B14R2.4622 Brc1ncccc1COC[C@@H]2CO2 7a_100000719692_100000745022 [0,1,0,1,0,0|2,0,0]=4 45384 B14R2.4622 Brc1ncccc1CSCC2CO2 62a_100010140945_102125554688 [0,1,0,1,0,0|2,0,0]=4 45385 B14R2.4622 Brc1ncccc1CSCC2CO2 62a_102125554688_100010140945 [0,1,0,1,0,0|2,0,0]=4 45386 B14R2.4622 Brc1ncccc1CSC[C@@H]2CO2 62a_100000745022_100010140945 [0,1,0,1,0,0|2,0,0]=4 45387 B14R2.4622 Brc1ncccc1CSC[C@@H]2CO2 62a_100010140945_100000745022 [0,1,0,1,0,0|2,0,0]=4 45388 B14R2.4622 Brc1ncccc1OCCC2CO2 34a_100000744436_100000732470 [0,1,0,1,0,0|2,0,0]=4 45389 B14R2.4622 Brc1ncccc1OCCC2CO2 7a_100000744436_100000732470 [0,1,0,1,0,0|2,0,0]=4 45390 B14R2.4622 Brc1ncccc1SCCC2CO2 62a_100000732470_100010202626 [0,1,0,1,0,0|2,0,0]=4 45391 B14R2.4622 Brc1ncccc1SCCC2CO2 62a_100010202626_100000732470 [0,1,0,1,0,0|2,0,0]=4 45392 B14R2.4622 C[n+]1ccccc1SCCC2CO2 62a_100000732470_100000212160 [0,1,0,1,0,0|2,0,0]=4 45393 B14R2.4622 Cc1ccccc1CCNC2CC2 34a_100000212008_100011713688 [0,1,0,1,0,0|2,0,0]=4 45394 B14R2.4622 Cc1ccccc1CCNC2CC2 34a_100000685071_100000211595 [0,1,0,1,0,0|2,0,0]=4 45395 B14R2.4622 Cc1ccccc1CCOC2CC2 34a_100011220023_100000211595 [0,1,0,1,0,0|2,0,0]=4 45396 B14R2.4622 Cc1ccccc1CCSC2CC2 62a_100011713688_100000211595 [0,1,0,1,0,0|2,0,0]=4 45397 B14R2.4622 Cc1ccccc1CNCC2CC2 207a_100000735609_100000211143 [0,1,0,1,0,0|2,0,0]=4 45398 B14R2.4622 Cc1ccccc1CNCC2CC2 2230a_100000735609_100000211839 [0,1,0,1,0,0|2,0,0]=4 45399 B14R2.4622 Cc1ccccc1CNCC2CC2 269862a_100000174972_100000741477 [0,1,0,1,0,0|2,0,0]=4 45400 B14R2.4622 Cc1ccccc1CNCC2CC2 270004a_100000735609_100000211143 [0,1,0,1,0,0|2,0,0]=4 45401 B14R2.4622 Cc1ccccc1CNCC2CC2 34a_100000174972_100000742324 [0,1,0,1,0,0|2,0,0]=4 45402 B14R2.4622 Cc1ccccc1CNCC2CC2 34a_100000735609_100000211839 [0,1,0,1,0,0|2,0,0]=4 45403 B14R2.4622 Cc1ccccc1CNCC2CO2 34a_100000174972_102125554688 [0,1,0,1,0,0|1,0,0]=3 45404 B14R2.4622 Cc1ccccc1COCC2CC2 34a_100000211283_100000211839 [0,1,0,1,0,0|2,0,0]=4 45405 B14R2.4622 Cc1ccccc1COCC2CC2 34a_100000698903_100000742324 [0,1,0,1,0,0|2,0,0]=4 45406 B14R2.4622 Cc1ccccc1COCC2CC2 7a_100000698903_100000742324 [0,1,0,1,0,0|2,0,0]=4 45407 B14R2.4622 Cc1ccccc1COCC2CO2 34a_100000698903_102125554688 [0,1,0,1,0,0|1,0,0]=3 45408 B14R2.4622 Cc1ccccc1COCC2CO2 7a_100000698903_102125554688 [0,1,0,1,0,0|1,0,0]=3 45409 B14R2.4622 Cc1ccccc1COCC2CS2 7a_100000698903_100000031435 [0,1,0,1,0,0|1,1,0]=4 45410 B14R2.4622 Cc1ccccc1COC[C@@H]2CO2 34a_100000757423_100000211839 [0,1,0,1,0,0|1,0,0]=3 45411 B14R2.4622 Cc1ccccc1COC[C@@H]2CO2 7a_100000698903_100000745022 [0,1,0,1,0,0|1,0,0]=3 45412 B14R2.4622 Cc1ccccc1CSCC2CC2 62a_100000211839_100000742324 [0,1,0,1,0,0|2,0,0]=4 45413 B14R2.4622 Cc1ccccc1CSCC2CC2 62a_100000756562_100000211839 [0,1,0,1,0,0|2,0,0]=4 45414 B14R2.4622 Cc1ccccc1CSCC2CO2 62a_100000211839_102125554688 [0,1,0,1,0,0|1,0,0]=3 45415 B14R2.4622 Cc1ccccc1CSCC2CO2 62a_102125554688_100000211839 [0,1,0,1,0,0|1,0,0]=3 45416 B14R2.4622 Cc1ccccc1CSCC2CS2 62a_100000031435_100000211839 [0,1,0,1,0,0|1,1,0]=4 45417 B14R2.4622 Cc1ccccc1CSCC2CS2 62a_100000211839_100000031435 [0,1,0,1,0,0|1,1,0]=4 45418 B14R2.4622 Cc1ccccc1CSC[C@@H]2CO2 62a_100000211839_100000745022 [0,1,0,1,0,0|1,0,0]=3 45419 B14R2.4622 Cc1ccccc1CSC[C@@H]2CO2 62a_100000745022_100000211839 [0,1,0,1,0,0|1,0,0]=3 45420 B14R2.4622 Cc1ccccc1NCCC2CC2 34a_100015192222_100000694398 [0,1,0,1,0,0|2,0,0]=4 45421 B14R2.4622 Cc1ccccc1NCCC2CO2 34a_100015192222_100000732470 [0,1,0,1,0,0|1,0,0]=3 45422 B14R2.4622 Cc1ccccc1OCCC2CC2 34a_100000210338_100000694398 [0,1,0,1,0,0|2,0,0]=4 45423 B14R2.4622 Cc1ccccc1OCCC2CC2 7a_100000210338_100000764125 [0,1,0,1,0,0|2,0,0]=4 45424 B14R2.4622 Cc1ccccc1OCCC2CO2 34a_100000210338_100000732470 [0,1,0,1,0,0|1,0,0]=3 45425 B14R2.4622 Cc1ccccc1OCCC2CO2 7a_100000210338_100000732470 [0,1,0,1,0,0|1,0,0]=3 45426 B14R2.4622 Cc1ccccc1SCCC2CC2 62a_100000210755_100000764125 [0,1,0,1,0,0|2,0,0]=4 45427 B14R2.4622 Cc1ccccc1SCCC2CC2 62a_100000764125_100000210755 [0,1,0,1,0,0|2,0,0]=4 45428 B14R2.4622 Cc1ccccc1SCCC2CO2 62a_100000210755_100000732470 [0,1,0,1,0,0|1,0,0]=3 45429 B14R2.4622 Cc1ccccc1SCCC2CO2 62a_100000732470_100000210755 [0,1,0,1,0,0|1,0,0]=3 45430 B14R2.4622 Cc1cccnc1CNCC2CO2 34a_100011223789_102125554688 [0,1,0,1,0,0|2,0,0]=4 45431 B14R2.4622 Cc1cccnc1COCC2CO2 34a_100000698912_102125554688 [0,1,0,1,0,0|2,0,0]=4 45432 B14R2.4622 Cc1cccnc1COC[C@@H]2CO2 34a_100000757423_100000696600 [0,1,0,1,0,0|2,0,0]=4 45433 B14R2.4622 Cc1cccnc1CSCC2CO2 62a_100000696600_102125554688 [0,1,0,1,0,0|2,0,0]=4 45434 B14R2.4622 Cc1cccnc1CSCC2CO2 62a_102125554688_100000696600 [0,1,0,1,0,0|2,0,0]=4 45435 B14R2.4622 Cc1cccnc1CSC[C@@H]2CO2 62a_100000696600_100000745022 [0,1,0,1,0,0|2,0,0]=4 45436 B14R2.4622 Cc1cccnc1CSC[C@@H]2CO2 62a_100000745022_100000696600 [0,1,0,1,0,0|2,0,0]=4 45437 B14R2.4622 Cc1cccnc1SCCC2CO2 62a_100000732470_100000751373 [0,1,0,1,0,0|2,0,0]=4 45438 B14R2.4622 Cc1cccnc1SCCC2CO2 62a_100000751373_100000732470 [0,1,0,1,0,0|2,0,0]=4 45439 B14R2.4622 Cc1ccncc1COCC2CO2 34a_100011996381_102125554688 [0,1,0,1,0,0|2,0,0]=4 45440 B14R2.4622 Cc1ccncc1COC[C@@H]2CO2 34a_100000757423_100000690890 [0,1,0,1,0,0|2,0,0]=4 45441 B14R2.4622 Cc1ccncc1CSCC2CO2 62a_100000690890_102125554688 [0,1,0,1,0,0|2,0,0]=4 45442 B14R2.4622 Cc1ccncc1CSCC2CO2 62a_102125554688_100000690890 [0,1,0,1,0,0|2,0,0]=4 45443 B14R2.4622 Cc1ccncc1CSC[C@@H]2CO2 62a_100000690890_100000745022 [0,1,0,1,0,0|2,0,0]=4 45444 B14R2.4622 Cc1ccncc1CSC[C@@H]2CO2 62a_100000745022_100000690890 [0,1,0,1,0,0|2,0,0]=4 45445 B14R2.4622 Cc1ccncc1OCCC2CO2 34a_100011997053_100000732470 [0,1,0,1,0,0|2,0,0]=4 45446 B14R2.4622 Cc1ccncc1OCCC2CO2 7a_100011997053_100000732470 [0,1,0,1,0,0|2,0,0]=4 45447 B14R2.4622 Cc1ccncc1SCCC2CO2 62a_100000732470_100000761580 [0,1,0,1,0,0|2,0,0]=4 45448 B14R2.4622 Cc1ccncc1SCCC2CO2 62a_100000761580_100000732470 [0,1,0,1,0,0|2,0,0]=4 45449 B14R2.4622 Cc1cnccc1COCC2CO2 34a_100011997032_102125554688 [0,1,0,1,0,0|2,0,0]=4 45450 B14R2.4622 Cc1cnccc1COC[C@@H]2CO2 34a_100000757423_100020672809 [0,1,0,1,0,0|2,0,0]=4 45451 B14R2.4622 Cc1cnccc1CSCC2CO2 62a_100020672808_102125554688 [0,1,0,1,0,0|2,0,0]=4 45452 B14R2.4622 Cc1cnccc1CSCC2CO2 62a_102125554688_100020672808 [0,1,0,1,0,0|2,0,0]=4 45453 B14R2.4622 Cc1cnccc1CSC[C@@H]2CO2 62a_100000745022_100020672808 [0,1,0,1,0,0|2,0,0]=4 45454 B14R2.4622 Cc1cnccc1CSC[C@@H]2CO2 62a_100020672808_100000745022 [0,1,0,1,0,0|2,0,0]=4 45455 B14R2.4622 Cc1cnccc1OCCC2CO2 34a_100000694293_100000732470 [0,1,0,1,0,0|2,0,0]=4 45456 B14R2.4622 Cc1cnccc1SCCC2CO2 62a_100000732470_100000765111 [0,1,0,1,0,0|2,0,0]=4 45457 B14R2.4622 Cc1cnccc1SCCC2CO2 62a_100000765111_100000732470 [0,1,0,1,0,0|2,0,0]=4 45458 B14R2.4622 Cc1ncccc1COCC2CO2 34a_100000729262_102125554688 [0,1,0,1,0,0|2,0,0]=4 45459 B14R2.4622 Cc1ncccc1COCC2CO2 7a_100000729262_102125554688 [0,1,0,1,0,0|2,0,0]=4 45460 B14R2.4622 Cc1ncccc1COC[C@@H]2CO2 34a_100000757423_100000732876 [0,1,0,1,0,0|2,0,0]=4 45461 B14R2.4622 Cc1ncccc1COC[C@@H]2CO2 7a_100000729262_100000745022 [0,1,0,1,0,0|2,0,0]=4 45462 B14R2.4622 Cc1ncccc1CSCC2CO2 62a_100000732876_102125554688 [0,1,0,1,0,0|2,0,0]=4 45463 B14R2.4622 Cc1ncccc1CSCC2CO2 62a_102125554688_100000732876 [0,1,0,1,0,0|2,0,0]=4 45464 B14R2.4622 Cc1ncccc1CSC[C@@H]2CO2 62a_100000732876_100000745022 [0,1,0,1,0,0|2,0,0]=4 45465 B14R2.4622 Cc1ncccc1CSC[C@@H]2CO2 62a_100000745022_100000732876 [0,1,0,1,0,0|2,0,0]=4 45466 B14R2.4622 Cc1ncccc1OCCC2CO2 34a_100000745507_100000732470 [0,1,0,1,0,0|2,0,0]=4 45467 B14R2.4622 Cc1ncccc1OCCC2CO2 7a_100000745507_100000732470 [0,1,0,1,0,0|2,0,0]=4 45468 B14R2.4622 Cc1ncccc1SCCC2CO2 62a_100000732470_100000751574 [0,1,0,1,0,0|2,0,0]=4 45469 B14R2.4622 Cc1ncccc1SCCC2CO2 62a_100000751574_100000732470 [0,1,0,1,0,0|2,0,0]=4 45470 B14R2.4622 Clc1ccccc1CCNC2CC2 34a_100000212008_100011713703 [0,1,0,1,0,0|2,0,0]=4 45471 B14R2.4622 Clc1ccccc1CCNC2CC2 34a_100011207228_100000211595 [0,1,0,1,0,0|2,0,0]=4 45472 B14R2.4622 Clc1ccccc1CCOC2CC2 34a_100011215284_100000211595 [0,1,0,1,0,0|2,0,0]=4 45473 B14R2.4622 Clc1ccccc1CCSC2CC2 62a_100011713703_100000211595 [0,1,0,1,0,0|2,0,0]=4 45474 B14R2.4622 Clc1ccccc1CNCC2CC2 207a_100000735609_100000210073 [0,1,0,1,0,0|2,0,0]=4 45475 B14R2.4622 Clc1ccccc1CNCC2CC2 2230a_100000174879_100000742324 [0,1,0,1,0,0|2,0,0]=4 45476 B14R2.4622 Clc1ccccc1CNCC2CC2 2230a_100000735609_100000187162 [0,1,0,1,0,0|2,0,0]=4 45477 B14R2.4622 Clc1ccccc1CNCC2CC2 269862a_100000174879_100000741477 [0,1,0,1,0,0|2,0,0]=4 45478 B14R2.4622 Clc1ccccc1CNCC2CC2 270004a_100000735609_100000210073 [0,1,0,1,0,0|2,0,0]=4 45479 B14R2.4622 Clc1ccccc1CNCC2CC2 34a_100000174879_100000742324 [0,1,0,1,0,0|2,0,0]=4 45480 B14R2.4622 Clc1ccccc1CNCC2CC2 34a_100000735609_100000187162 [0,1,0,1,0,0|2,0,0]=4 45481 B14R2.4622 Clc1ccccc1CNCC2CO2 2230a_100000174879_100011216344 [0,1,0,1,0,0|1,0,0]=3 45482 B14R2.4622 Clc1ccccc1CNCC2CO2 34a_100000174879_102125554688 [0,1,0,1,0,0|1,0,0]=3 45483 B14R2.4622 Clc1ccccc1COCC2CC2 34a_100000210847_100000742324 [0,1,0,1,0,0|2,0,0]=4 45484 B14R2.4622 Clc1ccccc1COCC2CC2 34a_100000211283_100000187162 [0,1,0,1,0,0|2,0,0]=4 45485 B14R2.4622 Clc1ccccc1COCC2CC2 7a_100000210847_100000742324 [0,1,0,1,0,0|2,0,0]=4 45486 B14R2.4622 Clc1ccccc1COCC2CO2 34a_100000210847_102125554688 [0,1,0,1,0,0|1,0,0]=3 45487 B14R2.4622 Clc1ccccc1COCC2CO2 7a_100000210847_102125554688 [0,1,0,1,0,0|1,0,0]=3 45488 B14R2.4622 Clc1ccccc1COCC2CS2 7a_100000210847_100000031435 [0,1,0,1,0,0|1,1,0]=4 45489 B14R2.4622 Clc1ccccc1COC[C@@H]2CO2 34a_100000757423_100000187162 [0,1,0,1,0,0|1,0,0]=3 45490 B14R2.4622 Clc1ccccc1COC[C@@H]2CO2 7a_100000210847_100000745022 [0,1,0,1,0,0|1,0,0]=3 45491 B14R2.4622 Clc1ccccc1CSCC2CC2 62a_100000187162_100000742324 [0,1,0,1,0,0|2,0,0]=4 45492 B14R2.4622 Clc1ccccc1CSCC2CC2 62a_100000756562_100000187162 [0,1,0,1,0,0|2,0,0]=4 45493 B14R2.4622 Clc1ccccc1CSCC2CO2 62a_100000187162_102125554688 [0,1,0,1,0,0|1,0,0]=3 45494 B14R2.4622 Clc1ccccc1CSCC2CO2 62a_102125554688_100000187162 [0,1,0,1,0,0|1,0,0]=3 45495 B14R2.4622 Clc1ccccc1CSCC2CS2 62a_100000031435_100000187162 [0,1,0,1,0,0|1,1,0]=4 45496 B14R2.4622 Clc1ccccc1CSCC2CS2 62a_100000187162_100000031435 [0,1,0,1,0,0|1,1,0]=4 45497 B14R2.4622 Clc1ccccc1CSC[C@@H]2CO2 62a_100000187162_100000745022 [0,1,0,1,0,0|1,0,0]=3 45498 B14R2.4622 Clc1ccccc1CSC[C@@H]2CO2 62a_100000745022_100000187162 [0,1,0,1,0,0|1,0,0]=3 45499 B14R2.4622 Clc1ccccc1NCCC2CC2 34a_100000185783_100000694398 [0,1,0,1,0,0|2,0,0]=4 45500 B14R2.4622 Clc1ccccc1NCCC2CO2 34a_100000185783_100000732470 [0,1,0,1,0,0|1,0,0]=3 45501 B14R2.4622 Clc1ccccc1OCCC2CC2 34a_100000210172_100000694398 [0,1,0,1,0,0|2,0,0]=4 45502 B14R2.4622 Clc1ccccc1OCCC2CC2 7a_100000210172_100000764125 [0,1,0,1,0,0|2,0,0]=4 45503 B14R2.4622 Clc1ccccc1OCCC2CO2 34a_100000210172_100000732470 [0,1,0,1,0,0|1,0,0]=3 45504 B14R2.4622 Clc1ccccc1OCCC2CO2 7a_100000210172_100000732470 [0,1,0,1,0,0|1,0,0]=3 45505 B14R2.4622 Clc1ccccc1SCCC2CC2 62a_100000764095_100000764125 [0,1,0,1,0,0|2,0,0]=4 45506 B14R2.4622 Clc1ccccc1SCCC2CC2 62a_100000764125_100000764095 [0,1,0,1,0,0|2,0,0]=4 45507 B14R2.4622 Clc1ccccc1SCCC2CO2 62a_100000732470_100000764095 [0,1,0,1,0,0|1,0,0]=3 45508 B14R2.4622 Clc1ccccc1SCCC2CO2 62a_100000764095_100000732470 [0,1,0,1,0,0|1,0,0]=3 45509 B14R2.4622 Clc1cccnc1CNCC2CO2 2230a_100015189233_100011216344 [0,1,0,1,0,0|2,0,0]=4 45510 B14R2.4622 Clc1cccnc1COCC2CO2 34a_100012002383_102125554688 [0,1,0,1,0,0|2,0,0]=4 45511 B14R2.4622 Clc1cccnc1CSCC2CO2 62a_100000099807_102125554688 [0,1,0,1,0,0|2,0,0]=4 45512 B14R2.4622 Clc1cccnc1CSCC2CO2 62a_102125554688_100000099807 [0,1,0,1,0,0|2,0,0]=4 45513 B14R2.4622 Clc1cccnc1CSC[C@@H]2CO2 62a_100000099807_100000745022 [0,1,0,1,0,0|2,0,0]=4 45514 B14R2.4622 Clc1cccnc1CSC[C@@H]2CO2 62a_100000745022_100000099807 [0,1,0,1,0,0|2,0,0]=4 45515 B14R2.4622 Clc1cccnc1OCCC2CO2 34a_100011290957_100000732470 [0,1,0,1,0,0|2,0,0]=4 45516 B14R2.4622 Clc1cccnc1SCCC2CO2 62a_100000732470_100011356963 [0,1,0,1,0,0|2,0,0]=4 45517 B14R2.4622 Clc1cccnc1SCCC2CO2 62a_100011356963_100000732470 [0,1,0,1,0,0|2,0,0]=4 45518 B14R2.4622 Clc1ccncc1COCC2CO2 34a_100000117392_102125554688 [0,1,0,1,0,0|2,0,0]=4 45519 B14R2.4622 Clc1ccncc1OCCC2CO2 34a_100011996695_100000732470 [0,1,0,1,0,0|2,0,0]=4 45520 B14R2.4622 Clc1ccncc1SCCC2CO2 62a_100000732470_100009995489 [0,1,0,1,0,0|2,0,0]=4 45521 B14R2.4622 Clc1ccncc1SCCC2CO2 62a_100009995489_100000732470 [0,1,0,1,0,0|2,0,0]=4 45522 B14R2.4622 Clc1cnccc1CSCC2CO2 62a_100000763264_102125554688 [0,1,0,1,0,0|2,0,0]=4 45523 B14R2.4622 Clc1cnccc1CSCC2CO2 62a_102125554688_100000763264 [0,1,0,1,0,0|2,0,0]=4 45524 B14R2.4622 Clc1cnccc1CSC[C@@H]2CO2 62a_100000745022_100000763264 [0,1,0,1,0,0|2,0,0]=4 45525 B14R2.4622 Clc1cnccc1CSC[C@@H]2CO2 62a_100000763264_100000745022 [0,1,0,1,0,0|2,0,0]=4 45526 B14R2.4622 Clc1cnccc1OCCC2CO2 34a_100011997054_100000732470 [0,1,0,1,0,0|2,0,0]=4 45527 B14R2.4622 Clc1cnccc1SCCC2CO2 62a_100000708259_100000732470 [0,1,0,1,0,0|2,0,0]=4 45528 B14R2.4622 Clc1cnccc1SCCC2CO2 62a_100000732470_100000708259 [0,1,0,1,0,0|2,0,0]=4 45529 B14R2.4622 Clc1ncccc1CNCC2CO2 2230a_100015189234_100011216344 [0,1,0,1,0,0|2,0,0]=4 45530 B14R2.4622 Clc1ncccc1CNCC2CO2 34a_100015189234_102125554688 [0,1,0,1,0,0|2,0,0]=4 45531 B14R2.4622 Clc1ncccc1COCC2CO2 34a_100000748726_102125554688 [0,1,0,1,0,0|2,0,0]=4 45532 B14R2.4622 Clc1ncccc1COCC2CO2 7a_100000748726_102125554688 [0,1,0,1,0,0|2,0,0]=4 45533 B14R2.4622 Clc1ncccc1COC[C@@H]2CO2 34a_100000757423_100000045678 [0,1,0,1,0,0|2,0,0]=4 45534 B14R2.4622 Clc1ncccc1COC[C@@H]2CO2 7a_100000748726_100000745022 [0,1,0,1,0,0|2,0,0]=4 45535 B14R2.4622 Clc1ncccc1CSCC2CO2 62a_100000045678_102125554688 [0,1,0,1,0,0|2,0,0]=4 45536 B14R2.4622 Clc1ncccc1CSCC2CO2 62a_102125554688_100000045678 [0,1,0,1,0,0|2,0,0]=4 45537 B14R2.4622 Clc1ncccc1CSC[C@@H]2CO2 62a_100000045678_100000745022 [0,1,0,1,0,0|2,0,0]=4 45538 B14R2.4622 Clc1ncccc1CSC[C@@H]2CO2 62a_100000745022_100000045678 [0,1,0,1,0,0|2,0,0]=4 45539 B14R2.4622 Clc1ncccc1OCCC2CO2 34a_100000757616_100000732470 [0,1,0,1,0,0|2,0,0]=4 45540 B14R2.4622 Clc1ncccc1OCCC2CO2 7a_100000757616_100000732470 [0,1,0,1,0,0|2,0,0]=4 45541 B14R2.4622 Clc1ncccc1SCCC2CO2 62a_100000036424_100000732470 [0,1,0,1,0,0|2,0,0]=4 45542 B14R2.4622 Clc1ncccc1SCCC2CO2 62a_100000732470_100000036424 [0,1,0,1,0,0|2,0,0]=4 45543 B14R2.4622 Fc1ccccc1CCNC2CC2 34a_100000185272_100000211595 [0,1,0,1,0,0|2,0,0]=4 45544 B14R2.4622 Fc1ccccc1CCNC2CC2 34a_100000212008_100000720011 [0,1,0,1,0,0|2,0,0]=4 45545 B14R2.4622 Fc1ccccc1CCOC2CC2 34a_100000753711_100000211595 [0,1,0,1,0,0|2,0,0]=4 45546 B14R2.4622 Fc1ccccc1CCSC2CC2 62a_100011713696_100000211595 [0,1,0,1,0,0|2,0,0]=4 45547 B14R2.4622 Fc1ccccc1CNCC2CC2 207a_100000735609_100000210811 [0,1,0,1,0,0|2,0,0]=4 45548 B14R2.4622 Fc1ccccc1CNCC2CC2 2230a_100000735609_100000211605 [0,1,0,1,0,0|2,0,0]=4 45549 B14R2.4622 Fc1ccccc1CNCC2CC2 269862a_100000174869_100000741477 [0,1,0,1,0,0|2,0,0]=4 45550 B14R2.4622 Fc1ccccc1CNCC2CC2 270004a_100000735609_100000210811 [0,1,0,1,0,0|2,0,0]=4 45551 B14R2.4622 Fc1ccccc1CNCC2CC2 34a_100000174869_100000742324 [0,1,0,1,0,0|2,0,0]=4 45552 B14R2.4622 Fc1ccccc1CNCC2CC2 34a_100000735609_100000211605 [0,1,0,1,0,0|2,0,0]=4 45553 B14R2.4622 Fc1ccccc1CNCC2CO2 34a_100000174869_102125554688 [0,1,0,1,0,0|1,0,0]=3 45554 B14R2.4622 Fc1ccccc1COCC2CC2 34a_100000211283_100000211605 [0,1,0,1,0,0|2,0,0]=4 45555 B14R2.4622 Fc1ccccc1COCC2CC2 34a_100000211962_100000742324 [0,1,0,1,0,0|2,0,0]=4 45556 B14R2.4622 Fc1ccccc1COCC2CC2 7a_100000211962_100000742324 [0,1,0,1,0,0|2,0,0]=4 45557 B14R2.4622 Fc1ccccc1COCC2CO2 34a_100000211962_102125554688 [0,1,0,1,0,0|1,0,0]=3 45558 B14R2.4622 Fc1ccccc1COCC2CO2 7a_100000211962_102125554688 [0,1,0,1,0,0|1,0,0]=3 45559 B14R2.4622 Fc1ccccc1COCC2CS2 7a_100000211962_100000031435 [0,1,0,1,0,0|1,1,0]=4 45560 B14R2.4622 Fc1ccccc1COC[C@@H]2CO2 34a_100000757423_100000211605 [0,1,0,1,0,0|1,0,0]=3 45561 B14R2.4622 Fc1ccccc1COC[C@@H]2CO2 7a_100000211962_100000745022 [0,1,0,1,0,0|1,0,0]=3 45562 B14R2.4622 Fc1ccccc1CSCC2CC2 62a_100000211605_100000742324 [0,1,0,1,0,0|2,0,0]=4 45563 B14R2.4622 Fc1ccccc1CSCC2CC2 62a_100000756562_100000211605 [0,1,0,1,0,0|2,0,0]=4 45564 B14R2.4622 Fc1ccccc1CSCC2CO2 62a_100000211605_102125554688 [0,1,0,1,0,0|1,0,0]=3 45565 B14R2.4622 Fc1ccccc1CSCC2CO2 62a_102125554688_100000211605 [0,1,0,1,0,0|1,0,0]=3 45566 B14R2.4622 Fc1ccccc1CSCC2CS2 62a_100000031435_100000211605 [0,1,0,1,0,0|1,1,0]=4 45567 B14R2.4622 Fc1ccccc1CSCC2CS2 62a_100000211605_100000031435 [0,1,0,1,0,0|1,1,0]=4 45568 B14R2.4622 Fc1ccccc1CSC[C@@H]2CO2 62a_100000211605_100000745022 [0,1,0,1,0,0|1,0,0]=3 45569 B14R2.4622 Fc1ccccc1CSC[C@@H]2CO2 62a_100000745022_100000211605 [0,1,0,1,0,0|1,0,0]=3 45570 B14R2.4622 Fc1ccccc1NCCC2CC2 34a_100000210422_100000694398 [0,1,0,1,0,0|2,0,0]=4 45571 B14R2.4622 Fc1ccccc1NCCC2CO2 34a_100000210422_100000732470 [0,1,0,1,0,0|1,0,0]=3 45572 B14R2.4622 Fc1ccccc1OCCC2CC2 34a_100000210171_100000694398 [0,1,0,1,0,0|2,0,0]=4 45573 B14R2.4622 Fc1ccccc1OCCC2CC2 7a_100000210171_100000764125 [0,1,0,1,0,0|2,0,0]=4 45574 B14R2.4622 Fc1ccccc1OCCC2CO2 34a_100000210171_100000732470 [0,1,0,1,0,0|1,0,0]=3 45575 B14R2.4622 Fc1ccccc1OCCC2CO2 7a_100000210171_100000732470 [0,1,0,1,0,0|1,0,0]=3 45576 B14R2.4622 Fc1ccccc1SCCC2CC2 62a_100000764125_100011215700 [0,1,0,1,0,0|2,0,0]=4 45577 B14R2.4622 Fc1ccccc1SCCC2CC2 62a_100011215700_100000764125 [0,1,0,1,0,0|2,0,0]=4 45578 B14R2.4622 Fc1ccccc1SCCC2CO2 62a_100000732470_100011215700 [0,1,0,1,0,0|1,0,0]=3 45579 B14R2.4622 Fc1ccccc1SCCC2CO2 62a_100011215700_100000732470 [0,1,0,1,0,0|1,0,0]=3 45580 B14R2.4622 Fc1cccnc1CNCC2CO2 34a_100000690088_102125554688 [0,1,0,1,0,0|2,0,0]=4 45581 B14R2.4622 Fc1cccnc1COCC2CO2 34a_100011934865_102125554688 [0,1,0,1,0,0|2,0,0]=4 45582 B14R2.4622 Fc1cccnc1COC[C@@H]2CO2 34a_100000757423_100000104219 [0,1,0,1,0,0|2,0,0]=4 45583 B14R2.4622 Fc1cccnc1CSCC2CO2 62a_100000104219_102125554688 [0,1,0,1,0,0|2,0,0]=4 45584 B14R2.4622 Fc1cccnc1CSCC2CO2 62a_102125554688_100000104219 [0,1,0,1,0,0|2,0,0]=4 45585 B14R2.4622 Fc1cccnc1CSC[C@@H]2CO2 62a_100000104219_100000745022 [0,1,0,1,0,0|2,0,0]=4 45586 B14R2.4622 Fc1cccnc1CSC[C@@H]2CO2 62a_100000745022_100000104219 [0,1,0,1,0,0|2,0,0]=4 45587 B14R2.4622 Fc1cccnc1OCCC2CO2 34a_100011219419_100000732470 [0,1,0,1,0,0|2,0,0]=4 45588 B14R2.4622 Fc1cccnc1SCCC2CO2 62a_100000685392_100000732470 [0,1,0,1,0,0|2,0,0]=4 45589 B14R2.4622 Fc1cccnc1SCCC2CO2 62a_100000732470_100000685392 [0,1,0,1,0,0|2,0,0]=4 45590 B14R2.4622 Fc1ccncc1SCCC2CO2 62a_100000732470_100009820683 [0,1,0,1,0,0|2,0,0]=4 45591 B14R2.4622 Fc1ccncc1SCCC2CO2 62a_100009820683_100000732470 [0,1,0,1,0,0|2,0,0]=4 45592 B14R2.4622 Fc1cnccc1CNCC2CO2 34a_100011935246_102125554688 [0,1,0,1,0,0|2,0,0]=4 45593 B14R2.4622 Fc1cnccc1COCC2CO2 34a_100012172863_102125554688 [0,1,0,1,0,0|2,0,0]=4 45594 B14R2.4622 Fc1cnccc1OCCC2CO2 34a_200000081243_100000732470 [0,1,0,1,0,0|2,0,0]=4 45595 B14R2.4622 Fc1cnccc1SCCC2CO2 62a_100000047030_100000732470 [0,1,0,1,0,0|2,0,0]=4 45596 B14R2.4622 Fc1cnccc1SCCC2CO2 62a_100000732470_100000047030 [0,1,0,1,0,0|2,0,0]=4 45597 B14R2.4622 Fc1ncccc1CNCC2CO2 34a_100000724633_102125554688 [0,1,0,1,0,0|2,0,0]=4 45598 B14R2.4622 Fc1ncccc1COCC2CO2 34a_100000079888_102125554688 [0,1,0,1,0,0|2,0,0]=4 45599 B14R2.4622 Fc1ncccc1COCC2CO2 7a_100000079888_102125554688 [0,1,0,1,0,0|2,0,0]=4 45600 B14R2.4622 Fc1ncccc1COC[C@@H]2CO2 34a_100000757423_100000099810 [0,1,0,1,0,0|2,0,0]=4 45601 B14R2.4622 Fc1ncccc1COC[C@@H]2CO2 7a_100000079888_100000745022 [0,1,0,1,0,0|2,0,0]=4 45602 B14R2.4622 Fc1ncccc1CSCC2CO2 62a_100000099810_102125554688 [0,1,0,1,0,0|2,0,0]=4 45603 B14R2.4622 Fc1ncccc1CSCC2CO2 62a_102125554688_100000099810 [0,1,0,1,0,0|2,0,0]=4 45604 B14R2.4622 Fc1ncccc1CSC[C@@H]2CO2 62a_100000099810_100000745022 [0,1,0,1,0,0|2,0,0]=4 45605 B14R2.4622 Fc1ncccc1CSC[C@@H]2CO2 62a_100000745022_100000099810 [0,1,0,1,0,0|2,0,0]=4 45606 B14R2.4622 Fc1ncccc1OCCC2CO2 34a_100000061740_100000732470 [0,1,0,1,0,0|2,0,0]=4 45607 B14R2.4622 Fc1ncccc1OCCC2CO2 7a_100000061740_100000732470 [0,1,0,1,0,0|2,0,0]=4 45608 B14R2.4622 Fc1ncccc1SCCC2CO2 62a_100000732470_100009816115 [0,1,0,1,0,0|2,0,0]=4 45609 B14R2.4622 Fc1ncccc1SCCC2CO2 62a_100009816115_100000732470 [0,1,0,1,0,0|2,0,0]=4 45610 B14R2.4622 Ic1ccccc1CCOC2CC2 34a_100010255290_100000211595 [0,1,0,1,0,0|2,0,0]=4 45611 B14R2.4622 Ic1ccccc1CNCC2CC2 207a_100000735609_100000010305 [0,1,0,1,0,0|2,0,0]=4 45612 B14R2.4622 Ic1ccccc1CNCC2CC2 2230a_100000735609_100011215278 [0,1,0,1,0,0|2,0,0]=4 45613 B14R2.4622 Ic1ccccc1CNCC2CC2 269862a_100015347259_100000741477 [0,1,0,1,0,0|2,0,0]=4 45614 B14R2.4622 Ic1ccccc1CNCC2CC2 270004a_100000735609_100000010305 [0,1,0,1,0,0|2,0,0]=4 45615 B14R2.4622 Ic1ccccc1CNCC2CC2 34a_100000735609_100011215278 [0,1,0,1,0,0|2,0,0]=4 45616 B14R2.4622 Ic1ccccc1COCC2CC2 34a_100000187465_100000742324 [0,1,0,1,0,0|2,0,0]=4 45617 B14R2.4622 Ic1ccccc1COCC2CC2 34a_100000211283_100011215278 [0,1,0,1,0,0|2,0,0]=4 45618 B14R2.4622 Ic1ccccc1COCC2CC2 7a_100000187465_100000742324 [0,1,0,1,0,0|2,0,0]=4 45619 B14R2.4622 Ic1ccccc1COCC2CO2 34a_100000187465_102125554688 [0,1,0,1,0,0|1,0,0]=3 45620 B14R2.4622 Ic1ccccc1COCC2CO2 7a_100000187465_102125554688 [0,1,0,1,0,0|1,0,0]=3 45621 B14R2.4622 Ic1ccccc1COCC2CS2 7a_100000187465_100000031435 [0,1,0,1,0,0|1,1,0]=4 45622 B14R2.4622 Ic1ccccc1COC[C@@H]2CO2 34a_100000757423_100011215278 [0,1,0,1,0,0|1,0,0]=3 45623 B14R2.4622 Ic1ccccc1COC[C@@H]2CO2 7a_100000187465_100000745022 [0,1,0,1,0,0|1,0,0]=3 45624 B14R2.4622 Ic1ccccc1CSCC2CC2 62a_100000756562_100011216222 [0,1,0,1,0,0|2,0,0]=4 45625 B14R2.4622 Ic1ccccc1CSCC2CC2 62a_100011216222_100000742324 [0,1,0,1,0,0|2,0,0]=4 45626 B14R2.4622 Ic1ccccc1CSCC2CO2 62a_100011216222_102125554688 [0,1,0,1,0,0|1,0,0]=3 45627 B14R2.4622 Ic1ccccc1CSCC2CO2 62a_102125554688_100011216222 [0,1,0,1,0,0|1,0,0]=3 45628 B14R2.4622 Ic1ccccc1CSCC2CS2 62a_100000031435_100011216222 [0,1,0,1,0,0|1,1,0]=4 45629 B14R2.4622 Ic1ccccc1CSCC2CS2 62a_100011216222_100000031435 [0,1,0,1,0,0|1,1,0]=4 45630 B14R2.4622 Ic1ccccc1CSC[C@@H]2CO2 62a_100000745022_100011216222 [0,1,0,1,0,0|1,0,0]=3 45631 B14R2.4622 Ic1ccccc1CSC[C@@H]2CO2 62a_100011216222_100000745022 [0,1,0,1,0,0|1,0,0]=3 45632 B14R2.4622 Ic1ccccc1NCCC2CC2 34a_100000210053_100000694398 [0,1,0,1,0,0|2,0,0]=4 45633 B14R2.4622 Ic1ccccc1NCCC2CO2 34a_100000210053_100000732470 [0,1,0,1,0,0|1,0,0]=3 45634 B14R2.4622 Ic1ccccc1OCCC2CC2 34a_100000739446_100000694398 [0,1,0,1,0,0|2,0,0]=4 45635 B14R2.4622 Ic1ccccc1OCCC2CC2 7a_100000739446_100000764125 [0,1,0,1,0,0|2,0,0]=4 45636 B14R2.4622 Ic1ccccc1OCCC2CO2 34a_100000739446_100000732470 [0,1,0,1,0,0|1,0,0]=3 45637 B14R2.4622 Ic1ccccc1OCCC2CO2 7a_100000739446_100000732470 [0,1,0,1,0,0|1,0,0]=3 45638 B14R2.4622 Ic1ccncc1OCCC2CO2 34a_100000050107_100000732470 [0,1,0,1,0,0|2,0,0]=4 45639 B14R2.4622 Ic1ncccc1OCCC2CO2 34a_100000034122_100000732470 [0,1,0,1,0,0|2,0,0]=4 45640 B14R2.4622 Ic1ncccc1OCCC2CO2 7a_100000034122_100000732470 [0,1,0,1,0,0|2,0,0]=4 45641 B14R2.4622 Nc1ccccc1CCOC2CC2 34a_100011215289_100000211595 [0,1,0,1,0,0|2,0,0]=4 45642 B14R2.4622 Nc1ccccc1COCC2CC2 34a_100000212039_100000742324 [0,1,0,1,0,0|2,0,0]=4 45643 B14R2.4622 Nc1ccccc1COCC2CO2 34a_100000212039_102125554688 [0,1,0,1,0,0|1,0,0]=3 45644 B14R2.4622 Nc1ccccc1OCCC2CC2 34a_100000185747_100000694398 [0,1,0,1,0,0|2,0,0]=4 45645 B14R2.4622 Nc1ccccc1OCCC2CC2 7a_100000185747_100000764125 [0,1,0,1,0,0|2,0,0]=4 45646 B14R2.4622 Nc1ccccc1OCCC2CO2 34a_100000185747_100000732470 [0,1,0,1,0,0|1,0,0]=3 45647 B14R2.4622 Nc1ccccc1OCCC2CO2 7a_100000185747_100000732470 [0,1,0,1,0,0|1,0,0]=3 45648 B14R2.4622 Nc1ccccc1SCCC2CC2 62a_100000210017_100000764125 [0,1,0,1,0,0|2,0,0]=4 45649 B14R2.4622 Nc1ccccc1SCCC2CC2 62a_100000764125_100000210017 [0,1,0,1,0,0|2,0,0]=4 45650 B14R2.4622 Nc1ccccc1SCCC2CO2 62a_100000210017_100000732470 [0,1,0,1,0,0|1,0,0]=3 45651 B14R2.4622 Nc1ccccc1SCCC2CO2 62a_100000732470_100000210017 [0,1,0,1,0,0|1,0,0]=3 45652 B14R2.4622 Nc1cccnc1COCC2CO2 34a_114873767017_102125554688 [0,1,0,1,0,0|2,0,0]=4 45653 B14R2.4622 Nc1cccnc1OCCC2CO2 34a_100000746358_100000732470 [0,1,0,1,0,0|2,0,0]=4 45654 B14R2.4622 Nc1cccnc1SCCC2CO2 62a_100000688686_100000732470 [0,1,0,1,0,0|2,0,0]=4 45655 B14R2.4622 Nc1cccnc1SCCC2CO2 62a_100000732470_100000688686 [0,1,0,1,0,0|2,0,0]=4 45656 B14R2.4622 Nc1ccncc1OCCC2CO2 34a_100000753702_100000732470 [0,1,0,1,0,0|2,0,0]=4 45657 B14R2.4622 Nc1ccncc1SCCC2CO2 62a_100000047001_100000732470 [0,1,0,1,0,0|2,0,0]=4 45658 B14R2.4622 Nc1ccncc1SCCC2CO2 62a_100000732470_100000047001 [0,1,0,1,0,0|2,0,0]=4 45659 B14R2.4622 Nc1cnccc1SCCC2CO2 62a_100000732470_100000756074 [0,1,0,1,0,0|2,0,0]=4 45660 B14R2.4622 Nc1cnccc1SCCC2CO2 62a_100000756074_100000732470 [0,1,0,1,0,0|2,0,0]=4 45661 B14R2.4622 Nc1ncccc1OCCC2CO2 34a_100000211975_100000732470 [0,1,0,1,0,0|2,0,0]=4 45662 B14R2.4622 Nc1ncccc1OCCC2CO2 7a_100000211975_100000732470 [0,1,0,1,0,0|2,0,0]=4 45663 B14R2.4622 Nc1ncccc1SCCC2CO2 62a_100000045569_100000732470 [0,1,0,1,0,0|2,0,0]=4 45664 B14R2.4622 Nc1ncccc1SCCC2CO2 62a_100000732470_100000045569 [0,1,0,1,0,0|2,0,0]=4 45665 B14R2.4622 O=c1cc[nH]cc1SCCC2CO2 62a_100000732470_100009998708 [0,1,0,1,0,0|2,0,0]=4 45666 B14R2.4622 O=c1cc[nH]cc1SCCC2CO2 62a_100009998708_100000732470 [0,1,0,1,0,0|2,0,0]=4 45667 B14R2.4622 O=c1ccocc1OCCC2CO2 34a_100000060831_100000732470 [0,1,0,1,0,0|2,0,0]=4 45668 B14R2.4622 O=c1occcc1OCCC2CO2 34a_100000077404_100000732470 [0,1,0,1,0,0|2,0,0]=4 45669 B14R2.4622 O=c1occcc1OCCC2CO2 7a_100000077404_100000732470 [0,1,0,1,0,0|2,0,0]=4 45670 B14R2.4622 Oc1ccccc1CCNC2CC2 34a_100000212008_100000722297 [0,1,0,1,0,0|2,0,0]=4 45671 B14R2.4622 Oc1ccccc1CCNC2CC2 34a_100011207237_100000211595 [0,1,0,1,0,0|2,0,0]=4 45672 B14R2.4622 Oc1ccccc1CCSC2CC2 62a_100000722297_100000211595 [0,1,0,1,0,0|2,0,0]=4 45673 B14R2.4622 Oc1ccccc1CNCC2CC2 269862a_100000185550_100000741477 [0,1,0,1,0,0|2,0,0]=4 45674 B14R2.4622 Oc1ccccc1CNCC2CC2 34a_100000185550_100000742324 [0,1,0,1,0,0|2,0,0]=4 45675 B14R2.4622 Oc1ccccc1CNCC2CO2 34a_100000185550_102125554688 [0,1,0,1,0,0|1,0,0]=3 45676 B14R2.4622 Oc1ccccc1NCCC2CC2 34a_100000185747_100000694398 [0,1,0,1,0,0|2,0,0]=4 45677 B14R2.4622 Oc1ccccc1NCCC2CO2 34a_100000185747_100000732470 [0,1,0,1,0,0|1,0,0]=3 45678 B14R2.4622 Oc1ccccc1SCCC2CC2 62a_100000739446_100000764125 [0,1,0,1,0,0|2,0,0]=4 45679 B14R2.4622 Oc1ccccc1SCCC2CC2 62a_100000764125_100000739446 [0,1,0,1,0,0|2,0,0]=4 45680 B14R2.4622 Oc1ccccc1SCCC2CO2 62a_100000732470_100000739446 [0,1,0,1,0,0|1,0,0]=3 45681 B14R2.4622 Oc1ccccc1SCCC2CO2 62a_100000739446_100000732470 [0,1,0,1,0,0|1,0,0]=3 45682 B14R2.4622 Oc1cccnc1COC[C@@H]2CO2 34a_100000757423_200020655725 [0,1,0,1,0,0|2,0,0]=4 45683 B14R2.4622 Oc1cccnc1CSCC2CO2 62a_102125554688_200020655725 [0,1,0,1,0,0|2,0,0]=4 45684 B14R2.4622 Oc1cccnc1CSCC2CO2 62a_200020655725_102125554688 [0,1,0,1,0,0|2,0,0]=4 45685 B14R2.4622 Oc1cccnc1CSC[C@@H]2CO2 62a_100000745022_200020655725 [0,1,0,1,0,0|2,0,0]=4 45686 B14R2.4622 Oc1cccnc1CSC[C@@H]2CO2 62a_200020655725_100000745022 [0,1,0,1,0,0|2,0,0]=4 45687 B14R2.4622 Oc1cccnc1SCCC2CO2 62a_100000034122_100000732470 [0,1,0,1,0,0|2,0,0]=4 45688 B14R2.4622 Oc1cccnc1SCCC2CO2 62a_100000732470_100000034122 [0,1,0,1,0,0|2,0,0]=4 45689 B14R2.4622 Oc1cnccc1SCCC2CO2 62a_100000732470_100009817591 [0,1,0,1,0,0|2,0,0]=4 45690 B14R2.4622 Oc1cnccc1SCCC2CO2 62a_100009817591_100000732470 [0,1,0,1,0,0|2,0,0]=4 45691 B14R2.4622 Oc1ncccc1SCCC2CO2 62a_100000732470_100000760158 [0,1,0,1,0,0|2,0,0]=4 45692 B14R2.4622 Oc1ncccc1SCCC2CO2 62a_100000760158_100000732470 [0,1,0,1,0,0|2,0,0]=4 45693 B14R2.4622 S=c1cc[nH]cc1SCCC2CO2 62a_100000732470_200012280681 [0,1,0,1,0,0|2,0,0]=4 45694 B14R2.4622 S=c1cc[nH]cc1SCCC2CO2 62a_200012280681_100000732470 [0,1,0,1,0,0|2,0,0]=4 45695 B14R2.4622 [O-][n+]1ccccc1OCCC2CO2 7a_100000211761_100000732470 [0,1,0,1,0,0|2,0,0]=4 45696 B14R2.4622 [O-][n+]1ccccc1SCCC2CO2 62a_100000732470_200000042595 [0,1,0,1,0,0|2,0,0]=4 45697 B14R2.4634 Brc1ccccc1CCN2CCC2 269982a_100000754969_100012161201 [0,1,0,1,0,0|2,0,0]=4 45698 B14R2.4634 Brc1ccccc1CNC2CCC2 2230a_100000749019_100000184730 [0,1,0,1,0,0|2,0,0]=4 45699 B14R2.4634 Brc1ccccc1CNC2CCC2 270004a_100000689332_100000241760 [0,1,0,1,0,0|2,0,0]=4 45700 B14R2.4634 Brc1ccccc1CNC2CCC2 34a_100000689332_100000749161 [0,1,0,1,0,0|2,0,0]=4 45701 B14R2.4634 Brc1ccccc1CNC2CCC2 34a_100000749019_100000184730 [0,1,0,1,0,0|2,0,0]=4 45702 B14R2.4634 Brc1ccccc1COC2CCC2 34a_100000748187_100000184730 [0,1,0,1,0,0|2,0,0]=4 45703 B14R2.4634 Brc1ccccc1COC2CCC2 34a_100000756307_100000749161 [0,1,0,1,0,0|2,0,0]=4 45704 B14R2.4634 Brc1ccccc1CSC2CCC2 62a_100000184730_100000749161 [0,1,0,1,0,0|2,0,0]=4 45705 B14R2.4634 Brc1ccccc1NCC2CCC2 34a_100000210017_100000763275 [0,1,0,1,0,0|2,0,0]=4 45706 B14R2.4634 Brc1ccccc1NCC2CCO2 34a_100000210017_100000103362 [0,1,0,1,0,0|1,0,0]=3 45707 B14R2.4634 Brc1ccccc1OCC2CCC2 34a_100000181306_100000763275 [0,1,0,1,0,0|2,0,0]=4 45708 B14R2.4634 Brc1ccccc1OCC2CCC2 7a_100000181306_100000763275 [0,1,0,1,0,0|2,0,0]=4 45709 B14R2.4634 Brc1ccccc1OCC2CCO2 34a_100000181306_100000103362 [0,1,0,1,0,0|1,0,0]=3 45710 B14R2.4634 Brc1ccccc1OCC2CCO2 7a_100000181306_100000103362 [0,1,0,1,0,0|1,0,0]=3 45711 B14R2.4634 Brc1ccccc1SCC2CCC2 62a_100000695589_100000763275 [0,1,0,1,0,0|2,0,0]=4 45712 B14R2.4634 Brc1ccccc1SCC2CCC2 62a_100000763275_100000695589 [0,1,0,1,0,0|2,0,0]=4 45713 B14R2.4634 Brc1ccccc1SCC2CCO2 62a_100000103362_100000695589 [0,1,0,1,0,0|1,0,0]=3 45714 B14R2.4634 Brc1ccccc1SCC2CCO2 62a_100000695589_100000103362 [0,1,0,1,0,0|1,0,0]=3 45715 B14R2.4634 Brc1cccnc1NC[C@@H]2CCO2 27a_100020831831_100000696092 [0,1,0,1,0,0|2,0,0]=4 45716 B14R2.4634 Brc1cccnc1SCC2CCO2 62a_100000103362_100000696092 [0,1,0,1,0,0|2,0,0]=4 45717 B14R2.4634 Brc1cccnc1SCC2CCO2 62a_100000696092_100000103362 [0,1,0,1,0,0|2,0,0]=4 45718 B14R2.4634 Brc1ccncc1SCC2CCO2 62a_100000103362_100010138639 [0,1,0,1,0,0|2,0,0]=4 45719 B14R2.4634 Brc1ccncc1SCC2CCO2 62a_100010138639_100000103362 [0,1,0,1,0,0|2,0,0]=4 45720 B14R2.4634 Brc1cnccc1NC[C@@H]2CCO2 27a_100020831831_100000726257 [0,1,0,1,0,0|2,0,0]=4 45721 B14R2.4634 Brc1cnccc1OCC2CCO2 34a_100011996408_100000103362 [0,1,0,1,0,0|2,0,0]=4 45722 B14R2.4634 Brc1cnccc1SCC2CCO2 62a_100000103362_100000726257 [0,1,0,1,0,0|2,0,0]=4 45723 B14R2.4634 Brc1cnccc1SCC2CCO2 62a_100000726257_100000103362 [0,1,0,1,0,0|2,0,0]=4 45724 B14R2.4634 Brc1ncccc1OCC2CCO2 34a_100000744436_100000103362 [0,1,0,1,0,0|2,0,0]=4 45725 B14R2.4634 Brc1ncccc1OCC2CCO2 7a_100000744436_100000103362 [0,1,0,1,0,0|2,0,0]=4 45726 B14R2.4634 Brc1ncccc1SCC2CCO2 62a_100000103362_100010202626 [0,1,0,1,0,0|2,0,0]=4 45727 B14R2.4634 Brc1ncccc1SCC2CCO2 62a_100010202626_100000103362 [0,1,0,1,0,0|2,0,0]=4 45728 B14R2.4634 C[n+]1ccccc1SCC2CCO2 62a_100000103362_100000212160 [0,1,0,1,0,0|2,0,0]=4 45729 B14R2.4634 Cc1ccccc1CCN2CCC2 269982a_100000754969_100011713688 [0,1,0,1,0,0|2,0,0]=4 45730 B14R2.4634 Cc1ccccc1CNC2CCC2 2230a_100000749019_100000211839 [0,1,0,1,0,0|2,0,0]=4 45731 B14R2.4634 Cc1ccccc1CNC2CCC2 270004a_100000174972_100000241760 [0,1,0,1,0,0|2,0,0]=4 45732 B14R2.4634 Cc1ccccc1CNC2CCC2 34a_100000174972_100000749161 [0,1,0,1,0,0|2,0,0]=4 45733 B14R2.4634 Cc1ccccc1CNC2CCC2 34a_100000749019_100000211839 [0,1,0,1,0,0|2,0,0]=4 45734 B14R2.4634 Cc1ccccc1COC2CCC2 34a_100000698903_100000749161 [0,1,0,1,0,0|2,0,0]=4 45735 B14R2.4634 Cc1ccccc1COC2CCC2 34a_100000748187_100000211839 [0,1,0,1,0,0|2,0,0]=4 45736 B14R2.4634 Cc1ccccc1CSC2CCC2 62a_100000211839_100000749161 [0,1,0,1,0,0|2,0,0]=4 45737 B14R2.4634 Cc1ccccc1NCC2CCC2 34a_100015192222_100000763275 [0,1,0,1,0,0|2,0,0]=4 45738 B14R2.4634 Cc1ccccc1NCC2CCO2 34a_100015192222_100000103362 [0,1,0,1,0,0|1,0,0]=3 45739 B14R2.4634 Cc1ccccc1OCC2CCC2 34a_100000210338_100000763275 [0,1,0,1,0,0|2,0,0]=4 45740 B14R2.4634 Cc1ccccc1OCC2CCC2 7a_100000210338_100000763275 [0,1,0,1,0,0|2,0,0]=4 45741 B14R2.4634 Cc1ccccc1OCC2CCO2 34a_100000210338_100000103362 [0,1,0,1,0,0|1,0,0]=3 45742 B14R2.4634 Cc1ccccc1OCC2CCO2 7a_100000210338_100000103362 [0,1,0,1,0,0|1,0,0]=3 45743 B14R2.4634 Cc1ccccc1SCC2CCC2 62a_100000210755_100000763275 [0,1,0,1,0,0|2,0,0]=4 45744 B14R2.4634 Cc1ccccc1SCC2CCC2 62a_100000763275_100000210755 [0,1,0,1,0,0|2,0,0]=4 45745 B14R2.4634 Cc1ccccc1SCC2CCO2 62a_100000103362_100000210755 [0,1,0,1,0,0|1,0,0]=3 45746 B14R2.4634 Cc1ccccc1SCC2CCO2 62a_100000210755_100000103362 [0,1,0,1,0,0|1,0,0]=3 45747 B14R2.4634 Cc1cccnc1SCC2CCO2 62a_100000103362_100000751373 [0,1,0,1,0,0|2,0,0]=4 45748 B14R2.4634 Cc1cccnc1SCC2CCO2 62a_100000751373_100000103362 [0,1,0,1,0,0|2,0,0]=4 45749 B14R2.4634 Cc1ccncc1OCC2CCO2 34a_100011997053_100000103362 [0,1,0,1,0,0|2,0,0]=4 45750 B14R2.4634 Cc1ccncc1OCC2CCO2 7a_100011997053_100000103362 [0,1,0,1,0,0|2,0,0]=4 45751 B14R2.4634 Cc1ccncc1SCC2CCO2 62a_100000103362_100000761580 [0,1,0,1,0,0|2,0,0]=4 45752 B14R2.4634 Cc1ccncc1SCC2CCO2 62a_100000761580_100000103362 [0,1,0,1,0,0|2,0,0]=4 45753 B14R2.4634 Cc1cnccc1NC[C@@H]2CCO2 27a_100020831831_100000765111 [0,1,0,1,0,0|2,0,0]=4 45754 B14R2.4634 Cc1cnccc1OCC2CCO2 34a_100000694293_100000103362 [0,1,0,1,0,0|2,0,0]=4 45755 B14R2.4634 Cc1cnccc1SCC2CCO2 62a_100000103362_100000765111 [0,1,0,1,0,0|2,0,0]=4 45756 B14R2.4634 Cc1cnccc1SCC2CCO2 62a_100000765111_100000103362 [0,1,0,1,0,0|2,0,0]=4 45757 B14R2.4634 Cc1ncccc1OCC2CCO2 34a_100000745507_100000103362 [0,1,0,1,0,0|2,0,0]=4 45758 B14R2.4634 Cc1ncccc1OCC2CCO2 7a_100000745507_100000103362 [0,1,0,1,0,0|2,0,0]=4 45759 B14R2.4634 Cc1ncccc1SCC2CCO2 62a_100000103362_100000751574 [0,1,0,1,0,0|2,0,0]=4 45760 B14R2.4634 Cc1ncccc1SCC2CCO2 62a_100000751574_100000103362 [0,1,0,1,0,0|2,0,0]=4 45761 B14R2.4634 Clc1ccccc1CCN2CCC2 269982a_100000754969_100011713703 [0,1,0,1,0,0|2,0,0]=4 45762 B14R2.4634 Clc1ccccc1CNC2CCC2 2230a_100000749019_100000187162 [0,1,0,1,0,0|2,0,0]=4 45763 B14R2.4634 Clc1ccccc1CNC2CCC2 270004a_100000174879_100000241760 [0,1,0,1,0,0|2,0,0]=4 45764 B14R2.4634 Clc1ccccc1CNC2CCC2 34a_100000174879_100000749161 [0,1,0,1,0,0|2,0,0]=4 45765 B14R2.4634 Clc1ccccc1CNC2CCC2 34a_100000749019_100000187162 [0,1,0,1,0,0|2,0,0]=4 45766 B14R2.4634 Clc1ccccc1COC2CCC2 34a_100000210847_100000749161 [0,1,0,1,0,0|2,0,0]=4 45767 B14R2.4634 Clc1ccccc1COC2CCC2 34a_100000748187_100000187162 [0,1,0,1,0,0|2,0,0]=4 45768 B14R2.4634 Clc1ccccc1CSC2CCC2 62a_100000187162_100000749161 [0,1,0,1,0,0|2,0,0]=4 45769 B14R2.4634 Clc1ccccc1NCC2CCC2 34a_100000185783_100000763275 [0,1,0,1,0,0|2,0,0]=4 45770 B14R2.4634 Clc1ccccc1NCC2CCO2 34a_100000185783_100000103362 [0,1,0,1,0,0|1,0,0]=3 45771 B14R2.4634 Clc1ccccc1OCC2CCC2 34a_100000210172_100000763275 [0,1,0,1,0,0|2,0,0]=4 45772 B14R2.4634 Clc1ccccc1OCC2CCC2 7a_100000210172_100000763275 [0,1,0,1,0,0|2,0,0]=4 45773 B14R2.4634 Clc1ccccc1OCC2CCO2 34a_100000210172_100000103362 [0,1,0,1,0,0|1,0,0]=3 45774 B14R2.4634 Clc1ccccc1OCC2CCO2 7a_100000210172_100000103362 [0,1,0,1,0,0|1,0,0]=3 45775 B14R2.4634 Clc1ccccc1SCC2CCC2 62a_100000763275_100000764095 [0,1,0,1,0,0|2,0,0]=4 45776 B14R2.4634 Clc1ccccc1SCC2CCC2 62a_100000764095_100000763275 [0,1,0,1,0,0|2,0,0]=4 45777 B14R2.4634 Clc1ccccc1SCC2CCO2 62a_100000103362_100000764095 [0,1,0,1,0,0|1,0,0]=3 45778 B14R2.4634 Clc1ccccc1SCC2CCO2 62a_100000764095_100000103362 [0,1,0,1,0,0|1,0,0]=3 45779 B14R2.4634 Clc1cccnc1OCC2CCO2 34a_100011290957_100000103362 [0,1,0,1,0,0|2,0,0]=4 45780 B14R2.4634 Clc1cccnc1SCC2CCO2 62a_100000103362_100011356963 [0,1,0,1,0,0|2,0,0]=4 45781 B14R2.4634 Clc1cccnc1SCC2CCO2 62a_100011356963_100000103362 [0,1,0,1,0,0|2,0,0]=4 45782 B14R2.4634 Clc1ccncc1OCC2CCO2 34a_100011996695_100000103362 [0,1,0,1,0,0|2,0,0]=4 45783 B14R2.4634 Clc1ccncc1SCC2CCO2 62a_100000103362_100009995489 [0,1,0,1,0,0|2,0,0]=4 45784 B14R2.4634 Clc1ccncc1SCC2CCO2 62a_100009995489_100000103362 [0,1,0,1,0,0|2,0,0]=4 45785 B14R2.4634 Clc1cnccc1OCC2CCO2 34a_100011997054_100000103362 [0,1,0,1,0,0|2,0,0]=4 45786 B14R2.4634 Clc1cnccc1SCC2CCO2 62a_100000103362_100000708259 [0,1,0,1,0,0|2,0,0]=4 45787 B14R2.4634 Clc1cnccc1SCC2CCO2 62a_100000708259_100000103362 [0,1,0,1,0,0|2,0,0]=4 45788 B14R2.4634 Clc1ncccc1OCC2CCO2 34a_100000757616_100000103362 [0,1,0,1,0,0|2,0,0]=4 45789 B14R2.4634 Clc1ncccc1OCC2CCO2 7a_100000757616_100000103362 [0,1,0,1,0,0|2,0,0]=4 45790 B14R2.4634 Clc1ncccc1SCC2CCO2 62a_100000036424_100000103362 [0,1,0,1,0,0|2,0,0]=4 45791 B14R2.4634 Clc1ncccc1SCC2CCO2 62a_100000103362_100000036424 [0,1,0,1,0,0|2,0,0]=4 45792 B14R2.4634 Fc1ccccc1CCN2CCC2 269982a_100000754969_100011713696 [0,1,0,1,0,0|2,0,0]=4 45793 B14R2.4634 Fc1ccccc1CNC2CCC2 2230a_100000749019_100000211605 [0,1,0,1,0,0|2,0,0]=4 45794 B14R2.4634 Fc1ccccc1CNC2CCC2 270004a_100000174869_100000241760 [0,1,0,1,0,0|2,0,0]=4 45795 B14R2.4634 Fc1ccccc1CNC2CCC2 34a_100000174869_100000749161 [0,1,0,1,0,0|2,0,0]=4 45796 B14R2.4634 Fc1ccccc1CNC2CCC2 34a_100000749019_100000211605 [0,1,0,1,0,0|2,0,0]=4 45797 B14R2.4634 Fc1ccccc1COC2CCC2 34a_100000211962_100000749161 [0,1,0,1,0,0|2,0,0]=4 45798 B14R2.4634 Fc1ccccc1COC2CCC2 34a_100000748187_100000211605 [0,1,0,1,0,0|2,0,0]=4 45799 B14R2.4634 Fc1ccccc1CSC2CCC2 62a_100000211605_100000749161 [0,1,0,1,0,0|2,0,0]=4 45800 B14R2.4634 Fc1ccccc1NCC2CCC2 34a_100000210422_100000763275 [0,1,0,1,0,0|2,0,0]=4 45801 B14R2.4634 Fc1ccccc1NCC2CCO2 34a_100000210422_100000103362 [0,1,0,1,0,0|1,0,0]=3 45802 B14R2.4634 Fc1ccccc1OCC2CCC2 34a_100000210171_100000763275 [0,1,0,1,0,0|2,0,0]=4 45803 B14R2.4634 Fc1ccccc1OCC2CCC2 7a_100000210171_100000763275 [0,1,0,1,0,0|2,0,0]=4 45804 B14R2.4634 Fc1ccccc1OCC2CCO2 34a_100000210171_100000103362 [0,1,0,1,0,0|1,0,0]=3 45805 B14R2.4634 Fc1ccccc1OCC2CCO2 7a_100000210171_100000103362 [0,1,0,1,0,0|1,0,0]=3 45806 B14R2.4634 Fc1ccccc1SCC2CCC2 62a_100000763275_100011215700 [0,1,0,1,0,0|2,0,0]=4 45807 B14R2.4634 Fc1ccccc1SCC2CCC2 62a_100011215700_100000763275 [0,1,0,1,0,0|2,0,0]=4 45808 B14R2.4634 Fc1ccccc1SCC2CCO2 62a_100000103362_100011215700 [0,1,0,1,0,0|1,0,0]=3 45809 B14R2.4634 Fc1ccccc1SCC2CCO2 62a_100011215700_100000103362 [0,1,0,1,0,0|1,0,0]=3 45810 B14R2.4634 Fc1cccnc1OCC2CCO2 34a_100011219419_100000103362 [0,1,0,1,0,0|2,0,0]=4 45811 B14R2.4634 Fc1cccnc1SCC2CCO2 62a_100000103362_100000685392 [0,1,0,1,0,0|2,0,0]=4 45812 B14R2.4634 Fc1cccnc1SCC2CCO2 62a_100000685392_100000103362 [0,1,0,1,0,0|2,0,0]=4 45813 B14R2.4634 Fc1ccncc1SCC2CCO2 62a_100000103362_100009820683 [0,1,0,1,0,0|2,0,0]=4 45814 B14R2.4634 Fc1ccncc1SCC2CCO2 62a_100009820683_100000103362 [0,1,0,1,0,0|2,0,0]=4 45815 B14R2.4634 Fc1cnccc1NC[C@@H]2CCO2 27a_100020831831_100000035921 [0,1,0,1,0,0|2,0,0]=4 45816 B14R2.4634 Fc1cnccc1OCC2CCO2 34a_200000081243_100000103362 [0,1,0,1,0,0|2,0,0]=4 45817 B14R2.4634 Fc1cnccc1SCC2CCO2 62a_100000047030_100000103362 [0,1,0,1,0,0|2,0,0]=4 45818 B14R2.4634 Fc1cnccc1SCC2CCO2 62a_100000103362_100000047030 [0,1,0,1,0,0|2,0,0]=4 45819 B14R2.4634 Fc1ncccc1OCC2CCO2 34a_100000061740_100000103362 [0,1,0,1,0,0|2,0,0]=4 45820 B14R2.4634 Fc1ncccc1OCC2CCO2 7a_100000061740_100000103362 [0,1,0,1,0,0|2,0,0]=4 45821 B14R2.4634 Fc1ncccc1SCC2CCO2 62a_100000103362_100009816115 [0,1,0,1,0,0|2,0,0]=4 45822 B14R2.4634 Fc1ncccc1SCC2CCO2 62a_100009816115_100000103362 [0,1,0,1,0,0|2,0,0]=4 45823 B14R2.4634 Ic1ccccc1CNC2CCC2 2230a_100000749019_100011215278 [0,1,0,1,0,0|2,0,0]=4 45824 B14R2.4634 Ic1ccccc1CNC2CCC2 270004a_100015347259_100000241760 [0,1,0,1,0,0|2,0,0]=4 45825 B14R2.4634 Ic1ccccc1CNC2CCC2 34a_100000749019_100011215278 [0,1,0,1,0,0|2,0,0]=4 45826 B14R2.4634 Ic1ccccc1COC2CCC2 34a_100000187465_100000749161 [0,1,0,1,0,0|2,0,0]=4 45827 B14R2.4634 Ic1ccccc1COC2CCC2 34a_100000748187_100011215278 [0,1,0,1,0,0|2,0,0]=4 45828 B14R2.4634 Ic1ccccc1CSC2CCC2 62a_100011216222_100000749161 [0,1,0,1,0,0|2,0,0]=4 45829 B14R2.4634 Ic1ccccc1NCC2CCC2 34a_100000210053_100000763275 [0,1,0,1,0,0|2,0,0]=4 45830 B14R2.4634 Ic1ccccc1NCC2CCO2 34a_100000210053_100000103362 [0,1,0,1,0,0|1,0,0]=3 45831 B14R2.4634 Ic1ccccc1OCC2CCC2 34a_100000739446_100000763275 [0,1,0,1,0,0|2,0,0]=4 45832 B14R2.4634 Ic1ccccc1OCC2CCC2 7a_100000739446_100000763275 [0,1,0,1,0,0|2,0,0]=4 45833 B14R2.4634 Ic1ccccc1OCC2CCO2 34a_100000739446_100000103362 [0,1,0,1,0,0|1,0,0]=3 45834 B14R2.4634 Ic1ccccc1OCC2CCO2 7a_100000739446_100000103362 [0,1,0,1,0,0|1,0,0]=3 45835 B14R2.4634 Ic1ccncc1OCC2CCO2 34a_100000050107_100000103362 [0,1,0,1,0,0|2,0,0]=4 45836 B14R2.4634 Ic1ncccc1OCC2CCO2 34a_100000034122_100000103362 [0,1,0,1,0,0|2,0,0]=4 45837 B14R2.4634 Ic1ncccc1OCC2CCO2 7a_100000034122_100000103362 [0,1,0,1,0,0|2,0,0]=4 45838 B14R2.4634 Nc1ccccc1COC2CCC2 34a_100000212039_100000749161 [0,1,0,1,0,0|2,0,0]=4 45839 B14R2.4634 Nc1ccccc1OCC2CCC2 34a_100000185747_100000763275 [0,1,0,1,0,0|2,0,0]=4 45840 B14R2.4634 Nc1ccccc1OCC2CCC2 7a_100000185747_100000763275 [0,1,0,1,0,0|2,0,0]=4 45841 B14R2.4634 Nc1ccccc1OCC2CCO2 34a_100000185747_100000103362 [0,1,0,1,0,0|1,0,0]=3 45842 B14R2.4634 Nc1ccccc1OCC2CCO2 7a_100000185747_100000103362 [0,1,0,1,0,0|1,0,0]=3 45843 B14R2.4634 Nc1ccccc1SCC2CCC2 62a_100000210017_100000763275 [0,1,0,1,0,0|2,0,0]=4 45844 B14R2.4634 Nc1ccccc1SCC2CCC2 62a_100000763275_100000210017 [0,1,0,1,0,0|2,0,0]=4 45845 B14R2.4634 Nc1ccccc1SCC2CCO2 62a_100000103362_100000210017 [0,1,0,1,0,0|1,0,0]=3 45846 B14R2.4634 Nc1ccccc1SCC2CCO2 62a_100000210017_100000103362 [0,1,0,1,0,0|1,0,0]=3 45847 B14R2.4634 Nc1cccnc1OCC2CCO2 34a_100000746358_100000103362 [0,1,0,1,0,0|2,0,0]=4 45848 B14R2.4634 Nc1cccnc1SCC2CCO2 62a_100000103362_100000688686 [0,1,0,1,0,0|2,0,0]=4 45849 B14R2.4634 Nc1cccnc1SCC2CCO2 62a_100000688686_100000103362 [0,1,0,1,0,0|2,0,0]=4 45850 B14R2.4634 Nc1ccncc1OCC2CCO2 34a_100000753702_100000103362 [0,1,0,1,0,0|2,0,0]=4 45851 B14R2.4634 Nc1ccncc1SCC2CCO2 62a_100000047001_100000103362 [0,1,0,1,0,0|2,0,0]=4 45852 B14R2.4634 Nc1ccncc1SCC2CCO2 62a_100000103362_100000047001 [0,1,0,1,0,0|2,0,0]=4 45853 B14R2.4634 Nc1cnccc1SCC2CCO2 62a_100000103362_100000756074 [0,1,0,1,0,0|2,0,0]=4 45854 B14R2.4634 Nc1cnccc1SCC2CCO2 62a_100000756074_100000103362 [0,1,0,1,0,0|2,0,0]=4 45855 B14R2.4634 Nc1ncccc1OCC2CCO2 34a_100000211975_100000103362 [0,1,0,1,0,0|2,0,0]=4 45856 B14R2.4634 Nc1ncccc1OCC2CCO2 7a_100000211975_100000103362 [0,1,0,1,0,0|2,0,0]=4 45857 B14R2.4634 Nc1ncccc1SCC2CCO2 62a_100000045569_100000103362 [0,1,0,1,0,0|2,0,0]=4 45858 B14R2.4634 Nc1ncccc1SCC2CCO2 62a_100000103362_100000045569 [0,1,0,1,0,0|2,0,0]=4 45859 B14R2.4634 O=c1cc[nH]cc1SCC2CCO2 62a_100000103362_100009998708 [0,1,0,1,0,0|2,0,0]=4 45860 B14R2.4634 O=c1cc[nH]cc1SCC2CCO2 62a_100009998708_100000103362 [0,1,0,1,0,0|2,0,0]=4 45861 B14R2.4634 O=c1ccocc1OCC2CCO2 34a_100000060831_100000103362 [0,1,0,1,0,0|2,0,0]=4 45862 B14R2.4634 O=c1occcc1OCC2CCO2 34a_100000077404_100000103362 [0,1,0,1,0,0|2,0,0]=4 45863 B14R2.4634 O=c1occcc1OCC2CCO2 7a_100000077404_100000103362 [0,1,0,1,0,0|2,0,0]=4 45864 B14R2.4634 Oc1ccccc1CCN2CCC2 269982a_100000754969_100000722297 [0,1,0,1,0,0|2,0,0]=4 45865 B14R2.4634 Oc1ccccc1CNC2CCC2 270004a_100000185550_100000241760 [0,1,0,1,0,0|2,0,0]=4 45866 B14R2.4634 Oc1ccccc1CNC2CCC2 34a_100000185550_100000749161 [0,1,0,1,0,0|2,0,0]=4 45867 B14R2.4634 Oc1ccccc1NCC2CCC2 34a_100000185747_100000763275 [0,1,0,1,0,0|2,0,0]=4 45868 B14R2.4634 Oc1ccccc1NCC2CCO2 34a_100000185747_100000103362 [0,1,0,1,0,0|1,0,0]=3 45869 B14R2.4634 Oc1ccccc1SCC2CCC2 62a_100000739446_100000763275 [0,1,0,1,0,0|2,0,0]=4 45870 B14R2.4634 Oc1ccccc1SCC2CCC2 62a_100000763275_100000739446 [0,1,0,1,0,0|2,0,0]=4 45871 B14R2.4634 Oc1ccccc1SCC2CCO2 62a_100000103362_100000739446 [0,1,0,1,0,0|1,0,0]=3 45872 B14R2.4634 Oc1ccccc1SCC2CCO2 62a_100000739446_100000103362 [0,1,0,1,0,0|1,0,0]=3 45873 B14R2.4634 Oc1cccnc1SCC2CCO2 62a_100000034122_100000103362 [0,1,0,1,0,0|2,0,0]=4 45874 B14R2.4634 Oc1cccnc1SCC2CCO2 62a_100000103362_100000034122 [0,1,0,1,0,0|2,0,0]=4 45875 B14R2.4634 Oc1cnccc1SCC2CCO2 62a_100000103362_100009817591 [0,1,0,1,0,0|2,0,0]=4 45876 B14R2.4634 Oc1cnccc1SCC2CCO2 62a_100009817591_100000103362 [0,1,0,1,0,0|2,0,0]=4 45877 B14R2.4634 Oc1ncccc1SCC2CCO2 62a_100000103362_100000760158 [0,1,0,1,0,0|2,0,0]=4 45878 B14R2.4634 Oc1ncccc1SCC2CCO2 62a_100000760158_100000103362 [0,1,0,1,0,0|2,0,0]=4 45879 B14R2.4634 S=c1cc[nH]cc1SCC2CCO2 62a_100000103362_200012280681 [0,1,0,1,0,0|2,0,0]=4 45880 B14R2.4634 S=c1cc[nH]cc1SCC2CCO2 62a_200012280681_100000103362 [0,1,0,1,0,0|2,0,0]=4 45881 B14R2.4634 [O-][n+]1ccccc1OCC2CCO2 7a_100000211761_100000103362 [0,1,0,1,0,0|2,0,0]=4 45882 B14R2.4634 [O-][n+]1ccccc1SCC2CCO2 62a_100000103362_200000042595 [0,1,0,1,0,0|2,0,0]=4 45883 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [0,1,0,1,0,0|1,0,1]=4 45884 B14R2.95 CCN(C)C1CCc2c1cccc2 2230a_100000225621_200000721974 [0,1,0,1,0,0|2,0,0]=4 45885 B14R2.95 CCN(C)C1CCc2c1cccc2 269982a_100000225621_200000721974 [0,1,0,1,0,0|2,0,0]=4 45886 B14R2.95 O=C(CF)C1CCc2c1cccc2 1458a_100000750891_100015361967 [0,1,0,1,0,0|1,0,1]=4 45887 B14R2.427 C[C@H]1[C@H](CN1Cc2ccccc2)O 2230a_206633788156_100015291786 [0,1,0,1,0,0|2,0,0]=4 45888 B14R2.427 C[C@H]1[C@H](CN1Cc2ccccc2)O 269982a_206633788156_100000211182 [0,1,0,1,0,0|2,0,0]=4 45889 B14R2.427 C[C@H]1[C@H](CN1Cc2ccccc2)O 270004a_206633788156_100015611070 [0,1,0,1,0,0|2,0,0]=4 45890 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [0,1,0,1,0,0|1,0,1]=4 45891 B14R2.958 O=C(CF)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100015361967 [0,1,0,1,0,0|1,0,1]=4 45892 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 34a_200011345745_200025704644 [0,1,0,1,0,0|2,0,0]=4 45893 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 7a_200011345745_200025704644 [0,1,0,1,0,0|2,0,0]=4 45894 B14R2.3459 COC1(CCCc2c1cccc2)C 34a_200011345745_200000210301 [0,1,0,1,0,0|2,0,0]=4 45895 B14R2.3459 COC1(CCCc2c1cccc2)C 7a_200011345745_200000210301 [0,1,0,1,0,0|2,0,0]=4 45896 B14R2.4881 CC1(CC1)CNCc2ccccc2 207a_100000766693_100015611070 [0,1,0,1,0,0|2,0,0]=4 45897 B14R2.4881 CC1(CC1)CNCc2ccccc2 2230a_100000766693_100015291786 [0,1,0,1,0,0|2,0,0]=4 45898 B14R2.4881 CC1(CC1)CNCc2ccccc2 270004a_100000766693_100015611070 [0,1,0,1,0,0|2,0,0]=4 45899 B14R2.4881 CC1(CC1)COCc2ccccc2 7a_100000698024_100000211182 [0,1,0,1,0,0|2,0,0]=4 45900 B14R2.4881 CC1(CC1)NCCc2ccccc2 2230a_100000757604_100000765856 [0,1,0,1,0,0|2,0,0]=4 45901 B14R2.4881 CC1(CC1)OCCc2ccccc2 7a_100011725673_100000765856 [0,1,0,1,0,0|2,0,0]=4 45902 B14R2.4881 CC1(CO1)CNCc2ccccc2 34a_100015324214_100000760498 [0,1,0,1,0,0|1,0,0]=3 45903 B14R2.4881 CC1(CO1)COCc2ccccc2 34a_100000210790_100000760498 [0,1,0,1,0,0|1,0,0]=3 45904 B14R2.4881 CC1(CO1)CSCc2ccccc2 62a_100000211182_100000760498 [0,1,0,1,0,0|1,0,0]=3 45905 B14R2.4881 CC1(CO1)CSCc2ccccc2 62a_100000760498_100015291786 [0,1,0,1,0,0|1,0,0]=3 45906 B14R2.4881 CC1(CO1)CSCc2ccccn2 62a_100000721315_100000760498 [0,1,0,1,0,0|2,0,0]=4 45907 B14R2.4881 CC1(CO1)CSCc2ccccn2 62a_100000760498_100000721315 [0,1,0,1,0,0|2,0,0]=4 45908 B14R2.4881 CC1(CO1)CSCc2cccnc2 62a_100000741622_100000760498 [0,1,0,1,0,0|2,0,0]=4 45909 B14R2.4881 CC1(CO1)CSCc2cccnc2 62a_100000760498_100000741622 [0,1,0,1,0,0|2,0,0]=4 45910 B14R2.4881 CC1(CO1)CSCc2ccncc2 62a_100000760498_100015193705 [0,1,0,1,0,0|2,0,0]=4 45911 B14R2.4881 CC1(CO1)CSCc2ccncc2 62a_100015193705_100000760498 [0,1,0,1,0,0|2,0,0]=4 45912 B14R2.4881 FC1(CC1)COCc2ccccc2 34a_200000703853_100015291786 [0,1,0,1,0,0|2,0,0]=4 45913 B14R2.4881 FC1(CC1)COCc2ccccc2 7a_200000703853_100000211182 [0,1,0,1,0,0|2,0,0]=4 45914 B14R2.4881 OC1(CC1)CNCc2ccccc2 207a_100011936951_100015611070 [0,1,0,1,0,0|2,0,0]=4 45915 B14R2.4881 OC1(CC1)CNCc2ccccc2 2230a_100011936951_100015291786 [0,1,0,1,0,0|2,0,0]=4 45916 B14R2.4881 OC1(CC1)CNCc2ccccc2 270004a_100011936951_100015611070 [0,1,0,1,0,0|2,0,0]=4 45917 B14R2.35816 CC(CF)OC1Cc2c1cccc2 7a_100016041109_100009813401 [0,1,0,1,0,0|2,0,0]=4 45918 B14R2.35816 CC(CO)SC1Cc2c1cccc2 62a_100012180447_100009813401 [0,1,0,1,0,0|1,0,0]=3 45919 B14R2.35816 CCC(C)OC1Cc2c1cccc2 7a_100000210228_100009813401 [0,1,0,1,0,0|2,0,0]=4 45920 B14R2.35816 CCC(C)SC1Cc2c1cccc2 62a_100000758301_100009813401 [0,1,0,1,0,0|2,0,0]=4 45921 B14R2.35816 CCC(C)SC1Cc2c1cccc2 62a_100009813401_100000758301 [0,1,0,1,0,0|2,0,0]=4 45922 B14R2.35816 C[C@H](CO)SC1Cc2c1cccc2 62a_100009813401_100016084084 [0,1,0,1,0,0|1,0,0]=3 45923 B14R2.35816 C[C@H](CO)SC1Cc2c1cccc2 62a_100016084084_100009813401 [0,1,0,1,0,0|1,0,0]=3 45924 B14R3.56 c1ccc2c(c1)CC2N3CCC3 269982a_100000754969_100009813401 [0,0,0,2,0,0|2,0,0]=4 45925 B14R3.57 c1ccc2c(c1)CC2SC3CC3 62a_100009813401_100000211595 [0,0,0,2,0,0|2,0,0]=4 45926 B10R1.21 CCCCOc1ccsc1 34a_100000106738_100000210210 [1,0,0,0,1,0|2,0,0]=4 45927 B10R1.21 CCCCOc1ccsc1 7a_100000106738_100000210211 [1,0,0,0,1,0|2,0,0]=4 45928 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,0,1,0|2,0,0]=4 45929 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,0,1,0|2,0,0]=4 45930 B10R1.21 CCCCSc1cccs1 62a_100000210211_100011215356 [1,0,0,0,1,0|2,0,0]=4 45931 B10R1.21 CCCCSc1cccs1 62a_100011215356_100000210210 [1,0,0,0,1,0|2,0,0]=4 45932 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [1,0,0,0,1,0|2,0,0]=4 45933 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [1,0,0,0,1,0|2,0,0]=4 45934 B10R1.21 CCCCSc1ccsc1 62a_100000210211_100000738268 [1,0,0,0,1,0|2,0,0]=4 45935 B10R1.21 CCCCSc1ccsc1 62a_100000738268_100000210210 [1,0,0,0,1,0|2,0,0]=4 45936 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,0,1,0|2,0,0]=4 45937 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,0,1,0|2,0,0]=4 45938 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,0,1,0|2,0,0]=4 45939 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,0,1,0|2,0,0]=4 45940 B10R1.21 CCCNCc1cccs1 207a_100020643023_100000209959 [1,0,0,0,1,0|2,0,0]=4 45941 B10R1.21 CCCNCc1cccs1 2230a_100000211653_100000210303 [1,0,0,0,1,0|2,0,0]=4 45942 B10R1.21 CCCNCc1cccs1 270004a_100020643023_100000209959 [1,0,0,0,1,0|2,0,0]=4 45943 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [1,0,0,0,1,0|2,0,0]=4 45944 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [1,0,0,0,1,0|2,0,0]=4 45945 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [1,0,0,0,1,0|2,0,0]=4 45946 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [1,0,0,0,1,0|2,0,0]=4 45947 B10R1.21 CCCNCc1ccsc1 207a_100020643023_100000188534 [1,0,0,0,1,0|2,0,0]=4 45948 B10R1.21 CCCNCc1ccsc1 2230a_100000186416_100000210303 [1,0,0,0,1,0|2,0,0]=4 45949 B10R1.21 CCCNCc1ccsc1 270004a_100020643023_100000188534 [1,0,0,0,1,0|2,0,0]=4 45950 B10R1.21 CCCNCc1ccsc1 34a_100000186416_100000210303 [1,0,0,0,1,0|2,0,0]=4 45951 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,0,1,0|2,0,0]=4 45952 B10R1.21 CCCOCc1cccs1 34a_100000211240_100000210303 [1,0,0,0,1,0|2,0,0]=4 45953 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [1,0,0,0,1,0|2,0,0]=4 45954 B10R1.21 CCCOCc1ccsc1 34a_100000210258_100011261437 [1,0,0,0,1,0|2,0,0]=4 45955 B10R1.21 CCCOCc1ccsc1 34a_100011215551_100000210303 [1,0,0,0,1,0|2,0,0]=4 45956 B10R1.21 CCCSCc1ccsc1 62a_100000210303_100011233845 [1,0,0,0,1,0|2,0,0]=4 45957 B10R1.21 CCCSCc1ccsc1 62a_100011261437_100000210303 [1,0,0,0,1,0|2,0,0]=4 45958 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,0,1,0|2,0,0]=4 45959 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,0,1,0|2,0,0]=4 45960 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [1,0,0,0,1,0|2,0,0]=4 45961 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [1,0,0,0,1,0|2,0,0]=4 45962 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [1,0,0,0,1,0|2,0,0]=4 45963 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [1,0,0,0,1,0|2,0,0]=4 45964 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [1,0,0,0,1,0|2,0,0]=4 45965 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [1,0,0,0,1,0|2,0,0]=4 45966 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [1,0,0,0,1,0|2,0,0]=4 45967 B10R1.21 CCOCCc1cccs1 34a_100011216825_100000210202 [1,0,0,0,1,0|2,0,0]=4 45968 B10R1.21 CCOCCc1cccs1 34a_100121572206_100000748579 [1,0,0,0,1,0|2,0,0]=4 45969 B10R1.21 CCOCCc1cccs1 7a_100011216825_100000210202 [1,0,0,0,1,0|2,0,0]=4 45970 B10R1.21 CCOCCc1ccsc1 34a_100000748821_100000210202 [1,0,0,0,1,0|2,0,0]=4 45971 B10R1.21 CCOCCn1cccc1 34a_100000179382_100000210202 [1,0,0,0,1,0|2,0,0]=4 45972 B10R1.21 CCSCCc1cccs1 62a_100000210202_100000748579 [1,0,0,0,1,0|2,0,0]=4 45973 B10R1.21 CCSCCc1cccs1 62a_100000748579_100000210202 [1,0,0,0,1,0|2,0,0]=4 45974 B10R1.21 CCSCCn1cccc1 62a_100000210202_200000035178 [1,0,0,0,1,0|2,0,0]=4 45975 B10R1.21 CCSCCn1cccc1 62a_200009811947_100000210202 [1,0,0,0,1,0|2,0,0]=4 45976 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [1,0,0,0,1,0|2,0,0]=4 45977 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [1,0,0,0,1,0|2,0,0]=4 45978 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [1,0,0,0,1,0|2,0,0]=4 45979 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [1,0,0,0,1,0|2,0,0]=4 45980 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [1,0,0,0,1,0|2,0,0]=4 45981 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [1,0,0,0,1,0|2,0,0]=4 45982 B10R1.21 COCCCc1cccs1 34a_100011713143_200000210301 [1,0,0,0,1,0|2,0,0]=4 45983 B10R1.21 COCCCc1cccs1 34a_100138415774_100010992444 [1,0,0,0,1,0|2,0,0]=4 45984 B10R1.21 COCCCc1cccs1 7a_100011713143_200000210301 [1,0,0,0,1,0|2,0,0]=4 45985 B10R1.21 COCCCc1ccsc1 34a_200000699776_200000210301 [1,0,0,0,1,0|2,0,0]=4 45986 B10R1.21 COCCCc1ccsc1 7a_200000699776_200000210301 [1,0,0,0,1,0|2,0,0]=4 45987 B10R1.21 COCCCn1cccc1 34a_100000179399_200000210301 [1,0,0,0,1,0|2,0,0]=4 45988 B10R1.21 COCCCn1cccc1 34a_100138415774_200009814367 [1,0,0,0,1,0|2,0,0]=4 45989 B10R1.21 COCCCn1cccc1 7a_100000179399_200000210301 [1,0,0,0,1,0|2,0,0]=4 45990 B10R1.21 CSCCCc1cccs1 62a_100010992444_200000210301 [1,0,0,0,1,0|2,0,0]=4 45991 B10R1.21 CSCCCc1cccs1 62a_200000210301_100010992444 [1,0,0,0,1,0|2,0,0]=4 45992 B10R1.21 CSCCCn1cccc1 62a_200000210301_200009814367 [1,0,0,0,1,0|2,0,0]=4 45993 B10R1.21 CSCCCn1cccc1 62a_200009814367_200000210301 [1,0,0,0,1,0|2,0,0]=4 45994 B10R1.21 OCCCOc1ccsc1 34a_100000106738_100000230001 [1,0,0,0,1,0|2,0,0]=4 45995 B10R1.21 OCCCOc1ccsc1 7a_100000106738_100011215043 [1,0,0,0,1,0|2,0,0]=4 45996 B10R1.21 OCCCSc1ccco1 62a_100009814098_100011215043 [1,0,0,0,1,0|2,0,0]=4 45997 B10R1.21 OCCCSc1ccco1 62a_100011215043_100009814098 [1,0,0,0,1,0|2,0,0]=4 45998 B10R1.21 OCCCSc1cccs1 62a_100011215043_100011215356 [1,0,0,0,1,0|2,0,0]=4 45999 B10R1.21 OCCCSc1cccs1 62a_100011215356_100011215043 [1,0,0,0,1,0|2,0,0]=4 46000 B10R1.21 OCCCSc1ccoc1 62a_100011215043_100011215275 [1,0,0,0,1,0|2,0,0]=4 46001 B10R1.21 OCCCSc1ccoc1 62a_100011215275_100011215043 [1,0,0,0,1,0|2,0,0]=4 46002 B10R1.21 OCCCSc1ccsc1 62a_100000738268_100011215043 [1,0,0,0,1,0|2,0,0]=4 46003 B10R1.21 OCCCSc1ccsc1 62a_100011215043_100000738268 [1,0,0,0,1,0|2,0,0]=4 46004 B10R1.21 OCCNCc1ccco1 207a_100000210304_100000186105 [1,0,0,0,1,0|2,0,0]=4 46005 B10R1.21 OCCNCc1ccco1 2230a_100000185738_100000211926 [1,0,0,0,1,0|2,0,0]=4 46006 B10R1.21 OCCNCc1ccco1 270004a_100000210304_100000186105 [1,0,0,0,1,0|2,0,0]=4 46007 B10R1.21 OCCNCc1ccco1 34a_100000185738_100000211926 [1,0,0,0,1,0|2,0,0]=4 46008 B10R1.21 OCCNCc1cccs1 207a_100000210304_100000209959 [1,0,0,0,1,0|2,0,0]=4 46009 B10R1.21 OCCNCc1cccs1 2230a_100000211653_100000211926 [1,0,0,0,1,0|2,0,0]=4 46010 B10R1.21 OCCNCc1cccs1 270004a_100000210304_100000209959 [1,0,0,0,1,0|2,0,0]=4 46011 B10R1.21 OCCNCc1ccoc1 207a_100000210304_100011215517 [1,0,0,0,1,0|2,0,0]=4 46012 B10R1.21 OCCNCc1ccoc1 2230a_100015206860_100000211926 [1,0,0,0,1,0|2,0,0]=4 46013 B10R1.21 OCCNCc1ccoc1 270004a_100000210304_100011215517 [1,0,0,0,1,0|2,0,0]=4 46014 B10R1.21 OCCNCc1ccoc1 34a_100015206860_100000211926 [1,0,0,0,1,0|2,0,0]=4 46015 B10R1.21 OCCNCc1ccsc1 207a_100000210304_100000188534 [1,0,0,0,1,0|2,0,0]=4 46016 B10R1.21 OCCNCc1ccsc1 2230a_100000186416_100000211926 [1,0,0,0,1,0|2,0,0]=4 46017 B10R1.21 OCCNCc1ccsc1 2230a_100016997473_100011261437 [1,0,0,0,1,0|2,0,0]=4 46018 B10R1.21 OCCNCc1ccsc1 270004a_100000210304_100000188534 [1,0,0,0,1,0|2,0,0]=4 46019 B10R1.21 OCCNCc1ccsc1 34a_100000186416_100000211926 [1,0,0,0,1,0|2,0,0]=4 46020 B10R1.21 OCCNCc1ccsc1 34a_100016990907_100011261437 [1,0,0,0,1,0|2,0,0]=4 46021 B10R1.21 OCCOCc1ccco1 34a_100000210059_100000211926 [1,0,0,0,1,0|2,0,0]=4 46022 B10R1.21 OCCOCc1cccs1 34a_100000211240_100000211926 [1,0,0,0,1,0|2,0,0]=4 46023 B10R1.21 OCCOCc1ccoc1 34a_100011215357_100000211926 [1,0,0,0,1,0|2,0,0]=4 46024 B10R1.21 OCCOCc1ccsc1 34a_100011215551_100000211926 [1,0,0,0,1,0|2,0,0]=4 46025 B10R1.21 OCCSCc1ccsc1 62a_100000211926_100011233845 [1,0,0,0,1,0|2,0,0]=4 46026 B10R1.21 OCCSCc1ccsc1 62a_100011261437_100000211926 [1,0,0,0,1,0|2,0,0]=4 46027 B10R1.21 [13CH3]OCCCc1cccs1 34a_100011713143_200025704644 [1,0,0,0,1,0|2,0,0]=4 46028 B10R1.21 [13CH3]OCCCc1cccs1 7a_100011713143_200025704644 [1,0,0,0,1,0|2,0,0]=4 46029 B10R1.21 [13CH3]OCCCc1ccsc1 34a_200000699776_200025704644 [1,0,0,0,1,0|2,0,0]=4 46030 B10R1.21 [13CH3]OCCCc1ccsc1 7a_200000699776_200025704644 [1,0,0,0,1,0|2,0,0]=4 46031 B10R1.21 [13CH3]OCCCn1cccc1 34a_100000179399_200025704644 [1,0,0,0,1,0|2,0,0]=4 46032 B10R1.21 [13CH3]OCCCn1cccc1 7a_100000179399_200025704644 [1,0,0,0,1,0|2,0,0]=4 46033 B10R1.21 [13CH3]SCCCc1cccs1 62a_100010992444_200025704644 [1,0,0,0,1,0|2,0,0]=4 46034 B10R1.21 [13CH3]SCCCc1cccs1 62a_200025704644_100010992444 [1,0,0,0,1,0|2,0,0]=4 46035 B10R1.21 [13CH3]SCCCn1cccc1 62a_200009814367_200025704644 [1,0,0,0,1,0|2,0,0]=4 46036 B10R1.21 [13CH3]SCCCn1cccc1 62a_200025704644_200009814367 [1,0,0,0,1,0|2,0,0]=4