0 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.8 C=COCCOc1cccnc1 34a_100000210849_100000039644 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.8 C=COCCOc1cccnc1 7a_100000210849_100000039644 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.8 C=COCCOc1ccncc1 34a_100000212176_100000039644 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,0,0,0,0,0|2,0,1]=3 28 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,0,0,0,0,0|2,0,1]=3 29 B12R1.8 C=COCCSc1ccccn1 62a_100000039644_100011216584 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.8 C=COCCSc1ccccn1 62a_100011216584_100000039644 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.8 C=COCCSc1cccnc1 62a_100000039644_100000210063 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.8 C=COCCSc1cccnc1 62a_100000210063_100000039644 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.8 C=COCCSc1ccncc1 62a_100000039644_100000728582 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.8 C=COCCSc1ccncc1 62a_100000728582_100000039644 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.8 CCCCC=Cc1ccccn1 271570a_100016275911_100011216584 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.8 CCCCC=Cc1ccncc1 271570a_100016275911_100000035832 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,0,0,0,0,0|2,0,1]=3 46 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,0,0,0,0,0|2,0,1]=3 47 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,0,0,0,0,0|2,0,1]=3 48 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,0,0,0,0,0|2,0,1]=3 49 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [0,0,0,0,0,0|1,0,1]=2 50 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [0,0,0,0,0,0|1,0,1]=2 51 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [0,0,0,0,0,0|2,0,1]=3 52 B12R1.8 CCOCC#Cc1ccccc1 34a_100011217464_100000210202 [0,0,0,0,0,0|1,0,3]=4 53 B12R1.8 CCOCC#Cc1ccccc1 34a_100121572206_100011352542 [0,0,0,0,0,0|1,0,3]=4 54 B12R1.8 CCOCC#Cc1ccccc1 7a_100011217464_100000210202 [0,0,0,0,0,0|1,0,3]=4 55 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,0,0,0,0,0|1,0,3]=4 56 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,0,0,0,0,0|1,0,3]=4 57 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,0,0,0,0,0|1,0,3]=4 58 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,0,0,0,0,0|2,0,2]=4 63 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,0,0,0,0,0|2,0,2]=4 64 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,0,0,0,0,0|2,0,2]=4 65 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,0,0,0,0,0|2,0,2]=4 67 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,0,0,0,0,0|2,0,2]=4 69 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,0,0,0,0,0|2,0,2]=4 70 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,0,0,0,0,0|2,0,2]=4 71 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,0,0,0,0,0|2,0,2]=4 72 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,0,0,0,0,0|2,0,2]=4 73 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [0,0,0,0,0,0|1,1,1]=3 74 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [0,0,0,0,0,0|1,1,1]=3 75 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [0,0,0,0,0,0|1,0,1]=2 77 B12R1.8 FCOC/C=C/c1cccnc1 34a_200102594124_100015361967 [0,0,0,0,0,0|2,0,1]=3 78 B12R1.8 FCOCC#Cc1ccccc1 34a_100011217464_100015361967 [0,0,0,0,0,0|1,0,3]=4 79 B12R1.8 FCOCC#Cc1ccccc1 7a_100011217464_100015361967 [0,0,0,0,0,0|1,0,3]=4 80 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,0,0,0,0,0|1,0,3]=4 81 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,0,0,0,0,0|1,0,3]=4 82 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,0,0,0,0,0|2,0,2]=4 83 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,0,0,0,0,0|2,0,2]=4 84 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,0,0,0,0,0|2,0,2]=4 85 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,0,0,0,0,0|2,0,2]=4 86 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [0,0,0,0,0,0|1,1,1]=3 87 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [0,0,0,0,0,0|1,1,1]=3 88 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,0,0,0,0,0|2,0,1]=3 89 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,0,0,0,0,0|2,0,1]=3 91 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,0,0,0,0,0|2,0,1]=3 92 B12R1.8 O=CCCCSc1ccccn1 62a_100011216584_200011292268 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.8 O=CCCCSc1ccccn1 62a_200011292268_100011216584 [0,0,0,0,0,0|3,0,1]=4 94 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,0,0,0,0,0|3,0,1]=4 95 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,0,0,0,0,0|3,0,1]=4 96 B12R1.8 O=CCCCSc1ccncc1 62a_100000728582_200011292268 [0,0,0,0,0,0|3,0,1]=4 97 B12R1.8 O=CCCCSc1ccncc1 62a_200011292268_100000728582 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,0,0,0,0,0|2,0,2]=4 99 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,0,0,0,0,0|2,0,2]=4 100 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,0,0,0,0,0|2,0,2]=4 101 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,0,0,0,0,0|2,0,2]=4 102 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,0,0,0,0,0|2,0,2]=4 103 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,0,0,0,0,0|2,0,2]=4 104 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,0,0,0,0,0|2,0,1]=4 112 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,0,0,0,0,0|2,0,1]=4 116 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,0,0,0,0,0|2,0,1]=4 124 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,0,0,0,0|1,0,1]=3 131 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,0,0,0,0,0|1,0,1]=3 135 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [1,0,0,0,0,0|2,0,1]=4 138 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,0,0,0,0,0|1,0,2]=4 139 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,0,0,0,0,0|1,0,2]=4 140 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,0,0,0,0,0|1,0,2]=4 141 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,0,0,0,0,0|2,0,1]=4 142 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,0,0,0,0,0|2,0,1]=4 143 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,0,0,0,0,0|1,0,1]=3 144 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,0,0,0,0,0|1,0,1]=3 145 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,0,0,0,0,0|1,0,1]=3 146 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,0,0,0,0,0|1,0,1]=3 147 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,0,0,0,0,0|1,0,1]=3 148 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,0,0,0,0,0|1,0,1]=3 149 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,0,0,0,0|0,0,1]=2 150 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,0,0,0,0|0,0,1]=2 151 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [1,0,0,0,0,0|1,0,1]=3 152 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,0,0,0,0,0|0,0,3]=4 153 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,0,0,0,0,0|0,0,3]=4 154 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,0,0,0,0,0|0,0,3]=4 155 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,0,0,0,0|0,0,1]=2 156 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,0,0,0,0,0|1,0,1]=3 157 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [1,0,0,0,0,0|1,0,1]=3 158 B11R1.28 COCC=Cc1cccnn1 271570a_100016286323_100016991348 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [1,0,0,0,0,0|1,0,1]=3 160 B11R1.28 COCC=Cc1ccncn1 271570a_100016286323_100000703185 [1,0,0,0,0,0|2,0,1]=4 161 B11R1.28 COCC=Cc1ccnnc1 271570a_100016286323_100000732662 [1,0,0,0,0,0|2,0,1]=4 162 B11R1.28 COCC=Cc1cnccn1 271570a_100016286323_100000758340 [1,0,0,0,0,0|2,0,1]=4 163 B11R1.28 COCC=Cc1cncnc1 271570a_100016286323_100011206942 [1,0,0,0,0,0|2,0,1]=4 164 B11R1.28 COCC=Cc1ncccn1 271570a_100016286323_100000211032 [1,0,0,0,0,0|2,0,1]=4 165 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|0,0,3]=4 166 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|0,0,3]=4 167 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|0,0,3]=4 168 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|1,0,2]=4 169 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|1,0,2]=4 170 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|1,0,2]=4 171 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|1,0,2]=4 172 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|1,0,2]=4 173 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|1,0,2]=4 174 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|1,0,2]=4 175 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|1,0,2]=4 176 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|1,0,2]=4 177 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|1,0,2]=4 178 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|1,0,2]=4 179 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,0,0,0,0|1,0,2]=4 180 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,0,0,0,0|1,0,2]=4 181 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,0|1,0,2]=4 182 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,0|1,0,2]=4 183 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,0|1,0,2]=4 184 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,0,0,0,0,0|0,1,1]=3 185 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,0,0,0,0,0|0,1,1]=3 186 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,0,0,0,0,0|1,0,2]=4 187 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,0,0,0,0,0|1,0,2]=4 188 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,0,0,0,0,0|1,0,1]=3 189 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,0,0,0,0,0|1,0,1]=3 190 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,0,0,0,0,0|1,0,1]=3 191 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,0,0,0,0,0|1,0,1]=3 192 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,0,0,0,0,0|1,0,1]=3 193 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,0,0,0,0,0|1,0,1]=3 194 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,0,0,0,0,0|2,0,1]=4 199 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,0,0,0,0,0|1,0,1]=3 201 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,0,0,0,0,0|1,0,1]=3 202 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,0,0,0,0|0,0,1]=2 203 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [1,0,0,0,0,0|1,0,1]=3 204 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,0,0,0,0,0|0,0,3]=4 205 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,0,0,0,0,0|0,0,3]=4 206 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|0,0,3]=4 207 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|0,0,3]=4 208 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|1,0,2]=4 209 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|1,0,2]=4 210 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|1,0,2]=4 211 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|1,0,2]=4 212 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,0,0,0,0,0|0,1,1]=3 213 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,0,0,0,0,0|0,1,1]=3 214 B13R1.6 C=COCCNc1cccc(c1)Br 34a_100000210019_100000039644 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.6 C=COCCNc1cccc(c1)C 2230a_100000188690_100000039644 [0,1,0,0,0,0|2,0,1]=4 216 B13R1.6 C=COCCNc1cccc(c1)C 34a_100000188690_100000039644 [0,1,0,0,0,0|2,0,1]=4 217 B13R1.6 C=COCCNc1cccc(c1)Cl 34a_100000185859_100000039644 [0,1,0,0,0,0|2,0,1]=4 218 B13R1.6 C=COCCNc1cccc(c1)F 34a_100000210047_100000039644 [0,1,0,0,0,0|2,0,1]=4 219 B13R1.6 C=COCCNc1cccc(c1)I 34a_100000211102_100000039644 [0,1,0,0,0,0|2,0,1]=4 220 B13R1.6 C=COCCNc1cccc(c1)O 34a_100000210217_100000039644 [0,1,0,0,0,0|2,0,1]=4 221 B13R1.6 C=COCCOc1cccc(c1)Br 34a_100000210342_100000039644 [0,1,0,0,0,0|2,0,1]=4 222 B13R1.6 C=COCCOc1cccc(c1)Br 7a_100000210342_100000039644 [0,1,0,0,0,0|2,0,1]=4 223 B13R1.6 C=COCCOc1cccc(c1)C 34a_100000210337_100000039644 [0,1,0,0,0,0|2,0,1]=4 224 B13R1.6 C=COCCOc1cccc(c1)C 7a_100000210337_100000039644 [0,1,0,0,0,0|2,0,1]=4 225 B13R1.6 C=COCCOc1cccc(c1)Cl 34a_100000210295_100000039644 [0,1,0,0,0,0|2,0,1]=4 226 B13R1.6 C=COCCOc1cccc(c1)Cl 7a_100000210295_100000039644 [0,1,0,0,0,0|2,0,1]=4 227 B13R1.6 C=COCCOc1cccc(c1)F 34a_100000210426_100000039644 [0,1,0,0,0,0|2,0,1]=4 228 B13R1.6 C=COCCOc1cccc(c1)F 7a_100000210426_100000039644 [0,1,0,0,0,0|2,0,1]=4 229 B13R1.6 C=COCCOc1cccc(c1)I 34a_100000211634_100000039644 [0,1,0,0,0,0|2,0,1]=4 230 B13R1.6 C=COCCOc1cccc(c1)I 7a_100000211634_100000039644 [0,1,0,0,0,0|2,0,1]=4 231 B13R1.6 C=COCCOc1cccc(c1)N 34a_100000210217_100000039644 [0,1,0,0,0,0|2,0,1]=4 232 B13R1.6 C=COCCSc1cccc(c1)Br 62a_100000039644_100000691529 [0,1,0,0,0,0|2,0,1]=4 233 B13R1.6 C=COCCSc1cccc(c1)Br 62a_100000691529_100000039644 [0,1,0,0,0,0|2,0,1]=4 234 B13R1.6 C=COCCSc1cccc(c1)C 62a_100000039644_100011215228 [0,1,0,0,0,0|2,0,1]=4 235 B13R1.6 C=COCCSc1cccc(c1)C 62a_100011215228_100000039644 [0,1,0,0,0,0|2,0,1]=4 236 B13R1.6 C=COCCSc1cccc(c1)Cl 62a_100000039644_100000699651 [0,1,0,0,0,0|2,0,1]=4 237 B13R1.6 C=COCCSc1cccc(c1)Cl 62a_100000699651_100000039644 [0,1,0,0,0,0|2,0,1]=4 238 B13R1.6 C=COCCSc1cccc(c1)F 62a_100000039644_100000685547 [0,1,0,0,0,0|2,0,1]=4 239 B13R1.6 C=COCCSc1cccc(c1)F 62a_100000685547_100000039644 [0,1,0,0,0,0|2,0,1]=4 240 B13R1.6 C=COCCSc1cccc(c1)N 62a_100000039644_100000210019 [0,1,0,0,0,0|2,0,1]=4 241 B13R1.6 C=COCCSc1cccc(c1)N 62a_100000210019_100000039644 [0,1,0,0,0,0|2,0,1]=4 242 B13R1.6 C=COCCSc1cccc(c1)O 62a_100000039644_100000211634 [0,1,0,0,0,0|2,0,1]=4 243 B13R1.6 C=COCCSc1cccc(c1)[S] 62a_100000039644_114929384022 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.6 C=COCCSc1cccc(c1)[S] 62a_114929384022_100000039644 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.6 CCCCC=Cc1cccc(c1)Br 271570a_100016275911_100000691529 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.6 CCCCC=Cc1cccc(c1)C 271570a_100016275911_100011215228 [0,1,0,0,0,0|2,0,1]=4 247 B13R1.6 CCCCC=Cc1cccc(c1)Cl 271570a_100016275911_100000699651 [0,1,0,0,0,0|2,0,1]=4 248 B13R1.6 CCCCC=Cc1cccc(c1)F 271570a_100016275911_100000685547 [0,1,0,0,0,0|2,0,1]=4 249 B13R1.6 CCCCC=Cc1cccc(c1)N 271570a_100016275911_100000210019 [0,1,0,0,0,0|2,0,1]=4 250 B13R1.6 CCCCC=Cc1cccc(c1)O 271570a_100016275911_100000211634 [0,1,0,0,0,0|2,0,1]=4 251 B13R1.6 CCCCC=Cc1cccc(c1)[S] 271570a_100016275911_114929384022 [0,1,0,0,0,0|2,0,1]=4 252 B13R1.6 CCNCC=Cc1cccc(c1)C 270004a_100015525214_100102525846 [0,1,0,0,0,0|2,0,1]=4 253 B13R1.6 CCNCC=Cc1cccc(c1)Cl 270004a_100015525214_100016268971 [0,1,0,0,0,0|2,0,1]=4 254 B13R1.6 Cc1cccc(c1)NCCCC=O 2230a_100000188690_200011292268 [0,1,0,0,0,0|2,0,1]=4 255 B13R1.6 Cc1cccc(c1)OCCCC=O 7a_100000210337_200011292268 [0,1,0,0,0,0|2,0,1]=4 256 B13R1.6 Cc1cccc(c1)SCCCC=O 62a_100011215228_200011292268 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.6 Cc1cccc(c1)SCCCC=O 62a_200011292268_100011215228 [0,1,0,0,0,0|2,0,1]=4 258 B13R1.6 Nc1cccc(c1)SCCCC=O 62a_100000210019_200011292268 [0,1,0,0,0,0|2,0,1]=4 259 B13R1.6 Nc1cccc(c1)SCCCC=O 62a_200011292268_100000210019 [0,1,0,0,0,0|2,0,1]=4 260 B13R1.6 O=CCCCOc1cccc(c1)Br 7a_100000210342_200011292268 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.6 O=CCCCOc1cccc(c1)Cl 7a_100000210295_200011292268 [0,1,0,0,0,0|2,0,1]=4 262 B13R1.6 O=CCCCOc1cccc(c1)F 7a_100000210426_200011292268 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.6 O=CCCCOc1cccc(c1)I 7a_100000211634_200011292268 [0,1,0,0,0,0|2,0,1]=4 264 B13R1.6 O=CCCCSc1cccc(c1)Br 62a_100000691529_200011292268 [0,1,0,0,0,0|2,0,1]=4 265 B13R1.6 O=CCCCSc1cccc(c1)Br 62a_200011292268_100000691529 [0,1,0,0,0,0|2,0,1]=4 266 B13R1.6 O=CCCCSc1cccc(c1)Cl 62a_100000699651_200011292268 [0,1,0,0,0,0|2,0,1]=4 267 B13R1.6 O=CCCCSc1cccc(c1)Cl 62a_200011292268_100000699651 [0,1,0,0,0,0|2,0,1]=4 268 B13R1.6 O=CCCCSc1cccc(c1)F 62a_100000685547_200011292268 [0,1,0,0,0,0|2,0,1]=4 269 B13R1.6 O=CCCCSc1cccc(c1)F 62a_200011292268_100000685547 [0,1,0,0,0,0|2,0,1]=4 270 B13R1.6 O=CCCCSc1cccc(c1)O 62a_200011292268_100000211634 [0,1,0,0,0,0|2,0,1]=4 271 B13R1.6 O=CCCCSc1cccc(c1)[S] 62a_114929384022_200011292268 [0,1,0,0,0,0|2,0,1]=4 272 B13R1.6 O=CCCCSc1cccc(c1)[S] 62a_200011292268_114929384022 [0,1,0,0,0,0|2,0,1]=4 273 B13R1.9 C=COCCNc1ccc(cc1)Br 2230a_100000210018_100000039644 [0,1,0,0,0,0|2,0,1]=4 274 B13R1.9 C=COCCNc1ccc(cc1)Br 34a_100000210018_100000039644 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.9 C=COCCNc1ccc(cc1)C 34a_100000124888_100000039644 [0,1,0,0,0,0|2,0,1]=4 276 B13R1.9 C=COCCNc1ccc(cc1)Cl 2230a_100000210052_100000039644 [0,1,0,0,0,0|2,0,1]=4 277 B13R1.9 C=COCCNc1ccc(cc1)Cl 34a_100000210052_100000039644 [0,1,0,0,0,0|2,0,1]=4 278 B13R1.9 C=COCCNc1ccc(cc1)F 34a_100000185862_100000039644 [0,1,0,0,0,0|2,0,1]=4 279 B13R1.9 C=COCCNc1ccc(cc1)I 34a_100000185761_100000039644 [0,1,0,0,0,0|2,0,1]=4 280 B13R1.9 C=COCCNc1ccc(cc1)O 34a_100000185829_100000039644 [0,1,0,0,0,0|2,0,1]=4 281 B13R1.9 C=COCCOc1ccc(cc1)Br 34a_100000185759_100000039644 [0,1,0,0,0,0|2,0,1]=4 282 B13R1.9 C=COCCOc1ccc(cc1)Br 7a_100000185759_100000039644 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.9 C=COCCOc1ccc(cc1)C 34a_100000210336_100000039644 [0,1,0,0,0,0|2,0,1]=4 284 B13R1.9 C=COCCOc1ccc(cc1)C 7a_100000210336_100000039644 [0,1,0,0,0,0|2,0,1]=4 285 B13R1.9 C=COCCOc1ccc(cc1)Cl 34a_100000210216_100000039644 [0,1,0,0,0,0|2,0,1]=4 286 B13R1.9 C=COCCOc1ccc(cc1)Cl 7a_100000210216_100000039644 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.9 C=COCCOc1ccc(cc1)F 34a_100000210339_100000039644 [0,1,0,0,0,0|2,0,1]=4 288 B13R1.9 C=COCCOc1ccc(cc1)I 34a_100000212066_100000039644 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.9 C=COCCOc1ccc(cc1)I 7a_100000212066_100000039644 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.9 C=COCCOc1ccc(cc1)N 34a_100000185829_100000039644 [0,1,0,0,0,0|2,0,1]=4 291 B13R1.9 C=COCCSc1ccc(cc1)Br 62a_100000039644_100000752885 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.9 C=COCCSc1ccc(cc1)Br 62a_100000752885_100000039644 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.9 C=COCCSc1ccc(cc1)C 62a_100000039644_100000186775 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.9 C=COCCSc1ccc(cc1)C 62a_100000186775_100000039644 [0,1,0,0,0,0|2,0,1]=4 295 B13R1.9 C=COCCSc1ccc(cc1)Cl 62a_100000039644_100000755918 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.9 C=COCCSc1ccc(cc1)Cl 62a_100000755918_100000039644 [0,1,0,0,0,0|2,0,1]=4 297 B13R1.9 C=COCCSc1ccc(cc1)F 62a_100000039644_100000211213 [0,1,0,0,0,0|2,0,1]=4 298 B13R1.9 C=COCCSc1ccc(cc1)F 62a_100000211213_100000039644 [0,1,0,0,0,0|2,0,1]=4 299 B13R1.9 C=COCCSc1ccc(cc1)N 62a_100000039644_100000185761 [0,1,0,0,0,0|2,0,1]=4 300 B13R1.9 C=COCCSc1ccc(cc1)N 62a_100000185761_100000039644 [0,1,0,0,0,0|2,0,1]=4 301 B13R1.9 C=COCCSc1ccc(cc1)O 62a_100000039644_100000185759 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.9 CCCCC=Cc1ccc(cc1)Br 271570a_100016275911_100000752885 [0,1,0,0,0,0|2,0,1]=4 303 B13R1.9 CCCCC=Cc1ccc(cc1)C 271570a_100016275911_100000186775 [0,1,0,0,0,0|2,0,1]=4 304 B13R1.9 CCCCC=Cc1ccc(cc1)Cl 271570a_100016275911_100000755918 [0,1,0,0,0,0|2,0,1]=4 305 B13R1.9 CCCCC=Cc1ccc(cc1)F 271570a_100016275911_100000211213 [0,1,0,0,0,0|2,0,1]=4 306 B13R1.9 CCCCC=Cc1ccc(cc1)N 271570a_100016275911_100000185761 [0,1,0,0,0,0|2,0,1]=4 307 B13R1.9 CCCCC=Cc1ccc(cc1)O 271570a_100016275911_100000185759 [0,1,0,0,0,0|2,0,1]=4 308 B13R1.9 CCNCC=Cc1ccc(cc1)Br 270004a_100015525214_100016291818 [0,1,0,0,0,0|2,0,1]=4 309 B13R1.9 CCNCC=Cc1ccc(cc1)C 270004a_100015525214_100016257026 [0,1,0,0,0,0|2,0,1]=4 310 B13R1.9 CCNCC=Cc1ccc(cc1)Cl 270004a_100015525214_100102525842 [0,1,0,0,0,0|2,0,1]=4 311 B13R1.9 CCNCC=Cc1ccc(cc1)F 270004a_100015525214_100016272083 [0,1,0,0,0,0|2,0,1]=4 312 B13R1.9 Cc1ccc(cc1)OCCCC=O 7a_100000210336_200011292268 [0,1,0,0,0,0|2,0,1]=4 313 B13R1.9 Cc1ccc(cc1)SCCCC=O 62a_100000186775_200011292268 [0,1,0,0,0,0|2,0,1]=4 314 B13R1.9 Cc1ccc(cc1)SCCCC=O 62a_200011292268_100000186775 [0,1,0,0,0,0|2,0,1]=4 315 B13R1.9 Nc1ccc(cc1)SCCCC=O 62a_100000185761_200011292268 [0,1,0,0,0,0|2,0,1]=4 316 B13R1.9 Nc1ccc(cc1)SCCCC=O 62a_200011292268_100000185761 [0,1,0,0,0,0|2,0,1]=4 317 B13R1.9 O=CCCCNc1ccc(cc1)Br 2230a_100000210018_200011292268 [0,1,0,0,0,0|2,0,1]=4 318 B13R1.9 O=CCCCNc1ccc(cc1)Cl 2230a_100000210052_200011292268 [0,1,0,0,0,0|2,0,1]=4 319 B13R1.9 O=CCCCOc1ccc(cc1)Br 7a_100000185759_200011292268 [0,1,0,0,0,0|2,0,1]=4 320 B13R1.9 O=CCCCOc1ccc(cc1)Cl 7a_100000210216_200011292268 [0,1,0,0,0,0|2,0,1]=4 321 B13R1.9 O=CCCCOc1ccc(cc1)I 7a_100000212066_200011292268 [0,1,0,0,0,0|2,0,1]=4 322 B13R1.9 O=CCCCSc1ccc(cc1)Br 62a_100000752885_200011292268 [0,1,0,0,0,0|2,0,1]=4 323 B13R1.9 O=CCCCSc1ccc(cc1)Br 62a_200011292268_100000752885 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_100000755918_200011292268 [0,1,0,0,0,0|2,0,1]=4 325 B13R1.9 O=CCCCSc1ccc(cc1)Cl 62a_200011292268_100000755918 [0,1,0,0,0,0|2,0,1]=4 326 B13R1.9 O=CCCCSc1ccc(cc1)F 62a_100000211213_200011292268 [0,1,0,0,0,0|2,0,1]=4 327 B13R1.9 O=CCCCSc1ccc(cc1)F 62a_200011292268_100000211213 [0,1,0,0,0,0|2,0,1]=4 328 B13R1.9 O=CCCCSc1ccc(cc1)O 62a_200011292268_100000185759 [0,1,0,0,0,0|2,0,1]=4 329 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,1,0,0,0,0|2,0,1]=4 330 B13R1.24 C=CCCNC(=O)c1ccccc1 11a_100015191253_100000185807 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.24 C=CCCNC(=O)c1ccccc1 1626a_100015191253_100000185807 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.24 C=CCCNC(=O)c1ccccc1 240690a_100015191253_100000185807 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.24 C=CCCNC(=O)c1ccccc1 527a_100015191253_100000185807 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.24 C=COCCC(=O)c1ccccc1 1458a_100000185807_100000039644 [0,1,0,0,0,0|1,0,1]=3 335 B13R1.24 C=COCCN(C)c1ccccc1 2230a_100000210012_100000039644 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.24 C=COCCN(C)c1ccccc1 269982a_100000210012_100000039644 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.24 C=COCCN(C)c1ccccc1 34a_100000210012_100000039644 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,1,0,0,0,0|1,0,2]=4 339 B13R1.24 CN(CCCC=O)c1ccccc1 2230a_100000210012_200011292268 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.24 CN(CCCC=O)c1ccccc1 269982a_100000210012_200011292268 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.24 O=CCSCC(=O)c1ccccc1 62a_100000211460_200015260668 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.24 O=CCSCC(=O)c1ccccc1 62a_200015260668_100000211460 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [0,1,0,0,0,0|1,0,1]=3 344 B13R1.28 C#CCNC/C=C/c1ccccc1 2230a_100020603302_100000038162 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100000212058_100016265936 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100020603302_100000184674 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210247_100016265936 [0,1,0,0,0,0|1,0,1]=3 348 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210256_100000184674 [0,1,0,0,0,0|1,0,1]=3 349 B13R1.28 C#CCOC/C=C/c1cccnc1 34a_200102594124_100000184674 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.28 C#CCSC/C=C/c1ccccc1 62a_100000038162_100016265936 [0,1,0,0,0,0|1,1,1]=4 351 B13R1.28 C=CCCC=NNc1ccccc1 4a_100015195140_100011216789 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020586998_100016265936 [0,1,0,0,0,0|2,0,0]=3 353 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020603302_100000210623 [0,1,0,0,0,0|2,0,0]=3 354 B13R1.28 C=CCNC/C=C/c1ccccc1 34a_100020603302_100015514636 [0,1,0,0,0,0|2,0,0]=3 355 B13R1.28 C=CCNCC=Cc1ccccc1 270004a_100020586998_100000210105 [0,1,0,0,0,0|2,0,0]=3 356 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_100000210256_100015514636 [0,1,0,0,0,0|1,0,0]=2 357 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_200000210373_100016265936 [0,1,0,0,0,0|1,0,0]=2 358 B13R1.28 C=CCOC/C=C/c1cccnc1 34a_200102594124_100015514636 [0,1,0,0,0,0|2,0,0]=3 359 B13R1.28 C=CCOCC#Cc1ccccc1 34a_100011217464_100015514636 [0,1,0,0,0,0|1,0,2]=4 360 B13R1.28 C=CCOCC#Cc1ccccc1 34a_200000210373_100011352542 [0,1,0,0,0,0|1,0,2]=4 361 B13R1.28 C=CCOCC#Cc1ccccc1 7a_100011217464_100015514636 [0,1,0,0,0,0|1,0,2]=4 362 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [0,1,0,0,0,0|1,0,2]=4 363 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [0,1,0,0,0,0|1,0,2]=4 364 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [0,1,0,0,0,0|1,0,2]=4 365 B13R1.28 C=CCOCCNc1ccccc1 34a_100000211345_100015514636 [0,1,0,0,0,0|2,0,1]=4 366 B13R1.28 C=CCOCCOc1ccccc1 34a_100000210260_100015514636 [0,1,0,0,0,0|2,0,1]=4 367 B13R1.28 C=CCOCCOc1ccccc1 34a_200000210373_100000184471 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.28 C=CCOCCOc1ccccc1 7a_100000210260_100015514636 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.28 C=CCOCCSc1ccccc1 34a_200000210373_100000246102 [0,1,0,0,0,0|2,0,1]=4 370 B13R1.28 C=CCOCCSc1ccccc1 7a_100000230494_100015514636 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.28 C=CCOCOCc1ccccc1 34a_200000210373_100000763385 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.28 C=CCOCSCc1ccccc1 34a_200000210373_200011217039 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.28 C=CCSC/C=C/c1ccccc1 62a_100000210623_100016265936 [0,1,0,0,0,0|1,1,0]=3 374 B13R1.28 C=CCSC/C=C/c1ccccc1 62a_100016265936_100000210623 [0,1,0,0,0,0|1,1,0]=3 375 B13R1.28 C=COCCNCc1ccccc1 2230a_100015324214_100000039644 [0,1,0,0,0,0|1,0,2]=4 376 B13R1.28 C=COCCNCc1ccccc1 34a_100015324214_100000039644 [0,1,0,0,0,0|1,0,2]=4 377 B13R1.28 C=COCCOCc1ccccc1 34a_100000033082_100015291786 [0,1,0,0,0,0|1,0,2]=4 378 B13R1.28 C=COCCOCc1ccccc1 34a_100000210790_100000039644 [0,1,0,0,0,0|1,0,2]=4 379 B13R1.28 C=COCCOCc1ccccc1 7a_100000210790_100000039644 [0,1,0,0,0,0|1,0,2]=4 380 B13R1.28 C=COCCSCc1ccccc1 62a_100000039644_100015291786 [0,1,0,0,0,0|1,0,2]=4 381 B13R1.28 C=COCCSCc1ccccc1 62a_100000211182_100000039644 [0,1,0,0,0,0|1,0,2]=4 382 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [0,1,0,0,0,0|2,0,1]=4 383 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [0,1,0,0,0,0|1,0,1]=3 387 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [0,1,0,0,0,0|1,0,1]=3 388 B13R1.28 CCCOC/C=C/c1cccnc1 34a_200102594124_100000210303 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [0,1,0,0,0,0|1,1,1]=4 390 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [0,1,0,0,0,0|1,1,1]=4 391 B13R1.28 COCNC/C=C/c1ccccc1 2230a_100020603302_100000766300 [0,1,0,0,0,0|1,0,2]=4 392 B13R1.28 COCSC/C=C/c1ccccc1 62a_100000766300_100016265936 [0,1,0,0,0,0|0,1,2]=4 393 B13R1.28 COCSC/C=C/c1ccccc1 62a_100016265936_100000766300 [0,1,0,0,0,0|0,1,2]=4 394 B13R1.28 CSCNC/C=C/c1ccccc1 2230a_100020603302_100011218213 [0,1,0,0,0,0|1,1,1]=4 395 B13R1.28 CSCNC/C=C/c1ccccc1 34a_100020603302_100011218213 [0,1,0,0,0,0|1,1,1]=4 396 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [0,1,0,0,0,0|0,1,1]=3 397 B13R1.28 CSCOC/C=C/c1cccnc1 34a_200102594124_100011218213 [0,1,0,0,0,0|1,1,1]=4 398 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100011218213_100016265936 [0,1,0,0,0,0|0,2,1]=4 399 B13R1.28 CSCSC/C=C/c1ccccc1 62a_100016265936_100011218213 [0,1,0,0,0,0|0,2,1]=4 400 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [0,1,0,0,0,0|1,0,1]=3 404 B13R1.28 FCCOC/C=C/c1cccnc1 34a_200102594124_100011217306 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [0,1,0,0,0,0|1,1,1]=4 406 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [0,1,0,0,0,0|1,1,1]=4 407 B13R1.28 N#CCNC/C=C/c1ccccc1 2230a_100020603302_100011215382 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.28 N#CCSC/C=C/c1ccccc1 62a_100011215382_100016265936 [0,1,0,0,0,0|1,1,1]=4 409 B13R1.28 N#CCSC/C=C/c1ccccc1 62a_100016265936_100011215382 [0,1,0,0,0,0|1,1,1]=4 410 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [0,1,0,0,0,0|1,0,1]=3 411 B13R1.28 O=CCCCCOc1ccccc1 7a_100000210340_100000139335 [0,1,0,0,0,0|1,0,2]=4 412 B13R1.28 O=CCCCCSc1ccccc1 62a_100000139335_100000041952 [0,1,0,0,0,0|1,0,2]=4 413 B13R1.28 O=CCCCCSc1ccccc1 62a_100000719477_100000139335 [0,1,0,0,0,0|1,0,2]=4 414 B13R1.28 O=CCCCNCc1ccccc1 2230a_100015324214_200011292268 [0,1,0,0,0,0|1,0,2]=4 415 B13R1.28 O=CCCCOCc1ccccc1 7a_100000210790_200011292268 [0,1,0,0,0,0|1,0,2]=4 416 B13R1.28 O=CCCCSCc1ccccc1 62a_100000211182_200011292268 [0,1,0,0,0,0|1,0,2]=4 417 B13R1.28 O=CCCCSCc1ccccc1 62a_200011292268_100015291786 [0,1,0,0,0,0|1,0,2]=4 418 B13R1.28 O=CCNC/C=C/c1ccccc1 2230a_100020603302_200015260668 [0,1,0,0,0,0|1,0,0]=2 419 B13R1.28 O=CCNC/C=C/c1ccccc1 34a_100020603302_200009817547 [0,1,0,0,0,0|1,0,0]=2 420 B13R1.28 O=CCNCC#Cc1ccccc1 34a_100000735379_200009817547 [0,1,0,0,0,0|1,0,2]=4 421 B13R1.28 O=CCNCCCc1ccccc1 2230a_100000211184_200015260668 [0,1,0,0,0,0|1,0,2]=4 422 B13R1.28 O=CCNCCCc1ccccc1 34a_100000211184_200009817547 [0,1,0,0,0,0|1,0,2]=4 423 B13R1.28 O=CCNCCOc1ccccc1 2230a_100000174943_200015260668 [0,1,0,0,0,0|2,0,1]=4 424 B13R1.28 O=CCNCCOc1ccccc1 34a_100000174943_200009817547 [0,1,0,0,0,0|2,0,1]=4 425 B13R1.28 O=CCNCCSc1ccccc1 2230a_100000189519_200015260668 [0,1,0,0,0,0|2,0,1]=4 426 B13R1.28 O=CCOC/C=C/c1ccccc1 34a_100000210256_200009817547 [0,1,0,0,0,0|0,0,0]=1 427 B13R1.28 O=CCOC/C=C/c1cccnc1 34a_200102594124_200009817547 [0,1,0,0,0,0|1,0,0]=2 428 B13R1.28 O=CCOCC#Cc1ccccc1 34a_100011217464_200009817547 [0,1,0,0,0,0|0,0,2]=3 429 B13R1.28 O=CCOCC#Cc1ccccc1 7a_100011217464_200015260668 [0,1,0,0,0,0|0,0,2]=3 430 B13R1.28 O=CCOCC#Cc1ccccn1 34a_100011894333_200009817547 [0,1,0,0,0,0|1,0,2]=4 431 B13R1.28 O=CCOCC#Cc1cccnc1 34a_100011376247_200009817547 [0,1,0,0,0,0|1,0,2]=4 432 B13R1.28 O=CCOCC#Cc1ccncc1 34a_100011894393_200009817547 [0,1,0,0,0,0|1,0,2]=4 433 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [0,1,0,0,0,0|0,0,2]=3 434 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [0,1,0,0,0,0|0,0,2]=3 435 B13R1.28 O=CCOCCCc1ccccn1 34a_100011215068_200009817547 [0,1,0,0,0,0|1,0,2]=4 436 B13R1.28 O=CCOCCCc1cccnc1 34a_100000211284_200009817547 [0,1,0,0,0,0|1,0,2]=4 437 B13R1.28 O=CCOCCCc1ccncc1 34a_100000210659_200009817547 [0,1,0,0,0,0|1,0,2]=4 438 B13R1.28 O=CCOCCNc1ccccc1 34a_100000211345_200009817547 [0,1,0,0,0,0|1,0,1]=3 439 B13R1.28 O=CCOCCNc1ccncc1 34a_200011243140_200009817547 [0,1,0,0,0,0|2,0,1]=4 440 B13R1.28 O=CCOCCOc1ccccc1 34a_100000210260_200009817547 [0,1,0,0,0,0|1,0,1]=3 441 B13R1.28 O=CCOCCOc1ccccc1 7a_100000210260_200015260668 [0,1,0,0,0,0|1,0,1]=3 442 B13R1.28 O=CCOCCSc1ccccc1 7a_100000230494_200015260668 [0,1,0,0,0,0|1,0,1]=3 443 B13R1.28 O=CCOCCSc1ccccn1 7a_100000156319_200015260668 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.28 O=CCSC/C=C/c1ccccc1 62a_100016265936_200015260668 [0,1,0,0,0,0|0,1,0]=2 445 B13R1.28 O=CCSC/C=C/c1ccccc1 62a_200015260668_100016265936 [0,1,0,0,0,0|0,1,0]=2 446 B13R1.28 O=CCSCC#Cc1ccccc1 62a_200015260668_100011352542 [0,1,0,0,0,0|0,1,2]=4 447 B13R1.28 O=CCSCCCc1ccccc1 62a_100000211621_200015260668 [0,1,0,0,0,0|0,1,2]=4 448 B13R1.28 O=CCSCCCc1ccccc1 62a_200015260668_100000211621 [0,1,0,0,0,0|0,1,2]=4 449 B13R1.28 O=CCSCCOc1ccccc1 62a_100000184471_200015260668 [0,1,0,0,0,0|1,1,1]=4 450 B13R1.28 O=CCSCCOc1ccccc1 62a_200015260668_100000184471 [0,1,0,0,0,0|1,1,1]=4 451 B13R1.28 O=CCSCCSc1ccccc1 62a_100000246102_200015260668 [0,1,0,0,0,0|1,1,1]=4 452 B13R1.28 O=CCSCCSc1ccccc1 62a_200015260668_100000246102 [0,1,0,0,0,0|1,1,1]=4 453 B13R1.28 O=CCSCOCc1ccccc1 62a_100000763385_200015260668 [0,1,0,0,0,0|1,1,1]=4 454 B13R1.28 O=CCSCOCc1ccccc1 62a_200015260668_100000763385 [0,1,0,0,0,0|1,1,1]=4 455 B13R1.28 O=CCSCSCc1ccccc1 62a_200011217039_200015260668 [0,1,0,0,0,0|1,1,1]=4 456 B13R1.28 O=CCSCSCc1ccccc1 62a_200015260668_200011217039 [0,1,0,0,0,0|1,1,1]=4 457 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [0,1,0,0,0,0|1,0,2]=4 458 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [0,1,0,0,0,0|1,0,2]=4 459 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [0,1,0,0,0,0|1,0,2]=4 460 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [0,1,0,0,0,0|1,0,2]=4 461 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [0,1,0,0,0,0|1,0,2]=4 462 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [0,1,0,0,0,0|0,0,2]=3 463 B13R1.28 OCCOC/C=C/c1cccnc1 34a_200102594124_100000211926 [0,1,0,0,0,0|1,0,2]=4 464 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [0,1,0,0,0,0|0,1,2]=4 465 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [0,1,0,0,0,0|0,1,2]=4 466 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,1,0,0,0,0|1,0,2]=4 468 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [0,1,0,0,0,0|1,0,1]=3 469 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [0,1,0,0,0,0|1,0,1]=3 470 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,1,0,0,0,0|2,0,1]=4 471 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,1,0,0,0,0|3,0,0]=4 478 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,1,0,0,0,0|3,0,0]=4 479 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,1,0,0,0,0|2,0,1]=4 481 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [0,1,0,0,0,0|1,0,1]=3 482 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [0,1,0,0,0,0|1,0,1]=3 483 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [0,1,0,0,0,0|2,0,1]=4 485 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [0,1,0,0,0,0|2,0,1]=4 486 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [0,1,0,0,0,0|2,0,1]=4 487 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [0,1,0,0,0,0|2,0,1]=4 489 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [0,1,0,0,0,0|2,0,1]=4 490 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.44 O=C(COCF)Nc1ccccc1 34a_100000246334_100015361967 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.337 CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200000210301 [0,1,0,0,0,0|1,0,1]=3 493 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,1,0,0,0,0|1,0,2]=4 494 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,1,0,0,0,0|1,0,2]=4 495 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,1,0,0,0,0|2,0,1]=4 496 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,1,0,0,0,0|2,0,1]=4 501 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,1,0,0,0,0|2,0,1]=4 502 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,1,0,0,0,0|2,0,1]=4 505 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,1,0,0,0,0|2,0,1]=4 506 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,1,0,0,0,0|2,0,1]=4 507 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,1,0,0,0,0|2,0,1]=4 509 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,1,0,0,0,0|2,0,1]=4 510 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,1,0,0,0,0|2,0,1]=4 511 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,1,0,0,0,0|2,0,1]=4 512 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,1,0,0,0,0|2,0,1]=4 513 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [0,1,0,0,0,0|1,0,0]=2 514 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [0,1,0,0,0,0|1,0,0]=2 515 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [0,1,0,0,0,0|1,0,0]=2 516 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [0,1,0,0,0,0|1,0,0]=2 517 B13R1.337 CC(=O)NCC#Cc1ccccc1 11a_100000735379_100015343762 [0,1,0,0,0,0|1,0,2]=4 518 B13R1.337 CC(=O)NCC#Cc1ccccc1 1626a_100000735379_100015343762 [0,1,0,0,0,0|1,0,2]=4 519 B13R1.337 CC(=O)NCC#Cc1ccccc1 240690a_100000735379_100015343762 [0,1,0,0,0,0|1,0,2]=4 520 B13R1.337 CC(=O)NCC#Cc1ccccc1 527a_100000735379_100103153847 [0,1,0,0,0,0|1,0,2]=4 521 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,1,0,0,0,0|1,0,2]=4 522 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,1,0,0,0,0|1,0,2]=4 523 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,1,0,0,0,0|1,0,2]=4 524 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,1,0,0,0,0|1,0,2]=4 525 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.337 CC(=O)NN=CCc1ccccc1 4a_100000189765_100000209964 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [0,1,0,0,0,0|0,0,0]=1 536 B13R1.337 CC(=O)OCC=Cc1ccccn1 271570a_200000047263_100011216584 [0,1,0,0,0,0|1,0,0]=2 537 B13R1.337 CC(=O)OCC=Cc1cccnc1 271570a_200000047263_100000752921 [0,1,0,0,0,0|1,0,0]=2 538 B13R1.337 CC(=O)OCC=Cc1cccnn1 271570a_200000047263_100016991348 [0,1,0,0,0,0|2,0,0]=3 539 B13R1.337 CC(=O)OCC=Cc1ccncc1 271570a_200000047263_100000035832 [0,1,0,0,0,0|1,0,0]=2 540 B13R1.337 CC(=O)OCC=Cc1ccncn1 271570a_200000047263_100000703185 [0,1,0,0,0,0|2,0,0]=3 541 B13R1.337 CC(=O)OCC=Cc1ccnnc1 271570a_200000047263_100000732662 [0,1,0,0,0,0|2,0,0]=3 542 B13R1.337 CC(=O)OCC=Cc1cnccn1 271570a_200000047263_100000758340 [0,1,0,0,0,0|2,0,0]=3 543 B13R1.337 CC(=O)OCC=Cc1cncnc1 271570a_200000047263_100011206942 [0,1,0,0,0,0|2,0,0]=3 544 B13R1.337 CC(=O)OCC=Cc1cnnnc1 271570a_200000047263_100009846058 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.337 CC(=O)OCC=Cc1ncccn1 271570a_200000047263_100000211032 [0,1,0,0,0,0|2,0,0]=3 546 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,1,0,0,0,0|1,0,1]=3 547 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,1,0,0,0,0|1,0,1]=3 548 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,1,0,0,0,0|1,0,1]=3 549 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.337 CC(=O)OCCOc1ccncc1 34a_100000212176_100009814007 [0,1,0,0,0,0|2,0,1]=4 552 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,1,0,0,0,0|1,0,1]=3 553 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,1,0,0,0,0|1,0,1]=3 554 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100009814007_100011216584 [0,1,0,0,0,0|2,0,1]=4 555 B13R1.337 CC(=O)OCCSc1ccccn1 62a_100011216584_100009814007 [0,1,0,0,0,0|2,0,1]=4 556 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100000210063_100009814007 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.337 CC(=O)OCCSc1cccnc1 62a_100009814007_100000210063 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100000728582_100009814007 [0,1,0,0,0,0|2,0,1]=4 559 B13R1.337 CC(=O)OCCSc1ccncc1 62a_100009814007_100000728582 [0,1,0,0,0,0|2,0,1]=4 560 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,1,0,0,0,0|1,0,1]=3 561 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,1,0,0,0,0|1,0,1]=3 562 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,1,0,0,0,0|1,0,1]=3 563 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,1,0,0,0,0|1,0,1]=3 564 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000076356_100000721315 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.337 CC(=O)OCSCc1ccccn1 62a_100000721315_100000076356 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000076356_100000741622 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.337 CC(=O)OCSCc1cccnc1 62a_100000741622_100000076356 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100000076356_100015193705 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.337 CC(=O)OCSCc1ccncc1 62a_100015193705_100000076356 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000210206 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.337 CC(C)NC/C=C/c1ccccc1 2230a_100138425928_100016265936 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100020603302_100000210206 [0,1,0,0,0,0|2,0,1]=4 573 B13R1.337 CC(C)NC/C=C/c1ccccc1 34a_100138425928_100016265936 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000210256_100000210206 [0,1,0,0,0,0|1,0,1]=3 575 B13R1.337 CC(C)OC/C=C/c1ccccc1 34a_100000212225_100016265936 [0,1,0,0,0,0|1,0,1]=3 576 B13R1.337 CC(C)OC/C=C/c1cccnc1 34a_200102594124_100000210206 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100000210206_100016265936 [0,1,0,0,0,0|1,1,1]=4 578 B13R1.337 CC(C)SC/C=C/c1ccccc1 62a_100016265936_100000210206 [0,1,0,0,0,0|1,1,1]=4 579 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,1,0,0,0,0|2,0,1]=4 580 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,1,0,0,0,0|2,0,1]=4 581 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,1,0,0,0,0|2,0,1]=4 582 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,1,0,0,0,0|2,0,1]=4 583 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,1,0,0,0,0|2,0,1]=4 585 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,1,0,0,0,0|2,0,1]=4 588 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,1,0,0,0,0|2,0,1]=4 589 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,1,0,0,0,0|2,0,1]=4 590 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,1,0,0,0,0|2,0,1]=4 592 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,1,0,0,0,0|2,0,1]=4 593 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,1,0,0,0,0|2,0,1]=4 596 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,1,0,0,0,0|1,0,1]=3 597 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,1,0,0,0,0|1,0,1]=3 598 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,1,0,0,0,0|1,0,1]=3 599 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,1,0,0,0,0|1,0,1]=3 603 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,1,0,0,0,0|1,0,1]=3 604 B13R1.337 NC(=O)OCCSc1ccccn1 62a_100011216584_200011214921 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.337 NC(=O)OCCSc1ccccn1 62a_200011214921_100011216584 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.337 NC(=O)OCCSc1cccnc1 62a_100000210063_200011214921 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.337 NC(=O)OCCSc1cccnc1 62a_200011214921_100000210063 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.337 NC(=O)OCCSc1ccncc1 62a_100000728582_200011214921 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.337 NC(=O)OCCSc1ccncc1 62a_200011214921_100000728582 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.337 [13CH3]C(=O)C=C/C=C/c1ccccc1 1458a_100016289705_200025704644 [0,1,0,0,0,0|1,0,1]=3 611 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,1,0,0,0,0|1,0,2]=4 612 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.555 C=COCCNc1ccccc1Br 34a_100000210017_100000039644 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.555 C=COCCNc1ccccc1C 34a_100015192222_100000039644 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.555 C=COCCNc1ccccc1Cl 34a_100000185783_100000039644 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.555 C=COCCNc1ccccc1F 34a_100000210422_100000039644 [0,1,0,0,0,0|2,0,1]=4 620 B13R1.555 C=COCCNc1ccccc1I 34a_100000210053_100000039644 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.555 C=COCCNc1ccccc1O 34a_100000185747_100000039644 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.555 C=COCCOc1ccccc1Br 34a_100000181306_100000039644 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.555 C=COCCOc1ccccc1Br 7a_100000181306_100000039644 [0,1,0,0,0,0|2,0,1]=4 624 B13R1.555 C=COCCOc1ccccc1C 34a_100000210338_100000039644 [0,1,0,0,0,0|2,0,1]=4 625 B13R1.555 C=COCCOc1ccccc1C 7a_100000210338_100000039644 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.555 C=COCCOc1ccccc1Cl 34a_100000210172_100000039644 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.555 C=COCCOc1ccccc1Cl 7a_100000210172_100000039644 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.555 C=COCCOc1ccccc1F 34a_100000210171_100000039644 [0,1,0,0,0,0|2,0,1]=4 629 B13R1.555 C=COCCOc1ccccc1F 7a_100000210171_100000039644 [0,1,0,0,0,0|2,0,1]=4 630 B13R1.555 C=COCCOc1ccccc1I 34a_100000739446_100000039644 [0,1,0,0,0,0|2,0,1]=4 631 B13R1.555 C=COCCOc1ccccc1I 7a_100000739446_100000039644 [0,1,0,0,0,0|2,0,1]=4 632 B13R1.555 C=COCCOc1ccccc1N 34a_100000185747_100000039644 [0,1,0,0,0,0|2,0,1]=4 633 B13R1.555 C=COCCOc1ccccc1N 7a_100000185747_100000039644 [0,1,0,0,0,0|2,0,1]=4 634 B13R1.555 C=COCCSc1ccccc1Br 62a_100000039644_100000695589 [0,1,0,0,0,0|2,0,1]=4 635 B13R1.555 C=COCCSc1ccccc1Br 62a_100000695589_100000039644 [0,1,0,0,0,0|2,0,1]=4 636 B13R1.555 C=COCCSc1ccccc1C 62a_100000039644_100000210755 [0,1,0,0,0,0|2,0,1]=4 637 B13R1.555 C=COCCSc1ccccc1C 62a_100000210755_100000039644 [0,1,0,0,0,0|2,0,1]=4 638 B13R1.555 C=COCCSc1ccccc1Cl 62a_100000039644_100000764095 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.555 C=COCCSc1ccccc1Cl 62a_100000764095_100000039644 [0,1,0,0,0,0|2,0,1]=4 640 B13R1.555 C=COCCSc1ccccc1F 62a_100000039644_100011215700 [0,1,0,0,0,0|2,0,1]=4 641 B13R1.555 C=COCCSc1ccccc1F 62a_100011215700_100000039644 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.555 C=COCCSc1ccccc1N 62a_100000039644_100000210017 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.555 C=COCCSc1ccccc1N 62a_100000210017_100000039644 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.555 C=COCCSc1ccccc1O 62a_100000039644_100000739446 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.555 C=COCCSc1ccccc1O 62a_100000739446_100000039644 [0,1,0,0,0,0|2,0,1]=4 646 B13R1.555 CCCCC=Cc1ccccc1Br 271570a_100016275911_100000695589 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.555 CCCCC=Cc1ccccc1C 271570a_100016275911_100000210755 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.555 CCCCC=Cc1ccccc1Cl 271570a_100016275911_100000764095 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.555 CCCCC=Cc1ccccc1F 271570a_100016275911_100011215700 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.555 CCCCC=Cc1ccccc1N 271570a_100016275911_100000210017 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.555 CCCCC=Cc1ccccc1O 271570a_100016275911_100000739446 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.555 CCNCC=Cc1ccccc1Br 270004a_100015525214_200016268969 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.555 CCNCC=Cc1ccccc1Cl 270004a_100015525214_200102525841 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.555 CCNCC=Cc1ccccc1F 270004a_100015525214_200102525844 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.555 Cc1ccccc1OCCCC=O 7a_100000210338_200011292268 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.555 Cc1ccccc1SCCCC=O 62a_100000210755_200011292268 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.555 Cc1ccccc1SCCCC=O 62a_200011292268_100000210755 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.555 Nc1ccccc1OCCCC=O 7a_100000185747_200011292268 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.555 Nc1ccccc1SCCCC=O 62a_100000210017_200011292268 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.555 Nc1ccccc1SCCCC=O 62a_200011292268_100000210017 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.555 O=CCCCOc1ccccc1Br 7a_100000181306_200011292268 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.555 O=CCCCOc1ccccc1Cl 7a_100000210172_200011292268 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.555 O=CCCCOc1ccccc1F 7a_100000210171_200011292268 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.555 O=CCCCOc1ccccc1I 7a_100000739446_200011292268 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.555 O=CCCCSc1ccccc1Br 62a_100000695589_200011292268 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.555 O=CCCCSc1ccccc1Br 62a_200011292268_100000695589 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.555 O=CCCCSc1ccccc1Cl 62a_100000764095_200011292268 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.555 O=CCCCSc1ccccc1Cl 62a_200011292268_100000764095 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.555 O=CCCCSc1ccccc1F 62a_100011215700_200011292268 [0,1,0,0,0,0|2,0,1]=4 670 B13R1.555 O=CCCCSc1ccccc1F 62a_200011292268_100011215700 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.555 O=CCCCSc1ccccc1O 62a_100000739446_200011292268 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.555 O=CCCCSc1ccccc1O 62a_200011292268_100000739446 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,1,0,0,0,0|2,0,0]=3 675 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,1,0,0,0,0|2,0,1]=4 676 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100000225621_100016265936 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100020603567_200000210301 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100000225621_100016265936 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100020603567_200000210301 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 2230a_100020603567_200025704644 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 269982a_100020603567_200025704644 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,1,0,0,0,0|3,0,0]=4 684 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,1,0,0,0,0|3,0,0]=4 685 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,1,0,0,0,0|3,0,0]=4 686 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,0|1,0,2]=4 688 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,0,0,1,0,0|2,0,1]=4 689 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,0,0,1,0,0|2,0,1]=4 690 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,0,0,1,0,0|1,0,1]=3 691 B13R2.3 C1=C(CCOC1)c2ccccn2 271570a_100000070234_100011216584 [0,0,0,1,0,0|2,0,1]=4 692 B13R2.3 C1=C(CCOC1)c2cccnc2 271570a_100000070234_100000752921 [0,0,0,1,0,0|2,0,1]=4 693 B13R2.3 C1=C(CCOC1)c2ccncc2 271570a_100000070234_100000035832 [0,0,0,1,0,0|2,0,1]=4 694 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,0,0,1,0,0|1,1,1]=4 695 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,0,0,1,0,0|1,0,2]=4 696 B13R2.3 c1ccc(cc1)c2ccccc2 271570a_100011218836_100000210277 [0,0,0,1,0,0|2,0,1]=4 697 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011218836_100011216584 [0,0,0,1,0,0|2,0,1]=4 698 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011264011_100000210277 [0,0,0,1,0,0|2,0,1]=4 699 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100000757648_100000210277 [0,0,0,1,0,0|3,0,0]=4 700 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100011218836_100000752921 [0,0,0,1,0,0|3,0,0]=4 701 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100000752145_100000210277 [0,0,0,1,0,0|2,0,1]=4 702 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100011218836_100000035832 [0,0,0,1,0,0|2,0,1]=4 703 B13R2.3 c1ccc(cc1)c2ccncn2 271570a_100011218836_100000703185 [0,0,0,1,0,0|2,0,1]=4 704 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [0,0,0,1,0,0|3,0,0]=4 705 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011218836_100000758340 [0,0,0,1,0,0|3,0,0]=4 706 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011962566_100000210277 [0,0,0,1,0,0|3,0,0]=4 707 B13R2.15 Brc1cscc1c2ccccc2 271570a_100011218836_100010143727 [0,0,0,1,0,0|3,0,0]=4 708 B13R2.15 Brc1n[nH]cc1c2ccccc2 271570a_100011218836_100011012988 [0,0,0,1,0,0|3,0,0]=4 709 B13R2.15 Cc1cscc1c2ccccc2 271570a_100000069996_100000210277 [0,0,0,1,0,0|3,0,0]=4 710 B13R2.15 Cc1cscc1c2ccccc2 271570a_100011218836_100000759966 [0,0,0,1,0,0|3,0,0]=4 711 B13R2.15 Cc1n[nH]cc1c2ccccc2 271570a_100000069033_100000210277 [0,0,0,1,0,0|3,0,0]=4 712 B13R2.15 Cc1n[nH]cc1c2ccccc2 271570a_100011218836_100011912673 [0,0,0,1,0,0|3,0,0]=4 713 B13R2.15 Cc1occc1c2ccccc2 271570a_100000070625_100000210277 [0,0,0,1,0,0|1,0,1]=3 714 B13R2.15 Cc1occc1c2ccccn2 271570a_100000070625_100011216584 [0,0,0,1,0,0|2,0,1]=4 715 B13R2.15 Cc1occc1c2cccnc2 271570a_100000070625_100000752921 [0,0,0,1,0,0|2,0,1]=4 716 B13R2.15 Cc1occc1c2ccncc2 271570a_100000070625_100000035832 [0,0,0,1,0,0|2,0,1]=4 717 B13R2.15 Cc1oncc1c2ccccc2 271570a_100000723675_100000210277 [0,0,0,1,0,0|2,0,0]=3 718 B13R2.15 Cc1oncc1c2ccccc2 271570a_100011218836_100009872056 [0,0,0,1,0,0|2,0,0]=3 719 B13R2.15 Cc1oncc1c2ccccn2 271570a_100000723675_100011216584 [0,0,0,1,0,0|3,0,0]=4 720 B13R2.15 Cc1oncc1c2ccccn2 271570a_100011264011_100009872056 [0,0,0,1,0,0|3,0,0]=4 721 B13R2.15 Cc1oncc1c2cccnc2 271570a_100000723675_100000752921 [0,0,0,1,0,0|3,0,0]=4 722 B13R2.15 Cc1oncc1c2cccnc2 271570a_100000757648_100009872056 [0,0,0,1,0,0|3,0,0]=4 723 B13R2.15 Cc1oncc1c2ccncc2 271570a_100000723675_100000035832 [0,0,0,1,0,0|3,0,0]=4 724 B13R2.15 Cc1oncc1c2ccncc2 271570a_100000752145_100009872056 [0,0,0,1,0,0|3,0,0]=4 725 B13R2.15 Cc1sccc1c2ccccc2 271570a_100011218836_100000684487 [0,0,0,1,0,0|1,1,1]=4 726 B13R2.15 Cc1sccc1c2ccccc2 271570a_100012356473_100000210277 [0,0,0,1,0,0|1,1,1]=4 727 B13R2.15 Clc1sccc1c2ccccc2 271570a_100000117213_100000210277 [0,0,0,1,0,0|1,1,1]=4 728 B13R2.15 Fc1n[nH]cc1c2ccccc2 271570a_100011218836_100015597042 [0,0,0,1,0,0|3,0,0]=4 729 B13R2.15 Nc1n[nH]cc1c2ccccc2 271570a_100011218836_100000717100 [0,0,0,1,0,0|3,0,0]=4 730 B13R2.15 Nc1nocc1c2ccccc2 271570a_100011218836_100012597345 [0,0,0,1,0,0|3,0,0]=4 731 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,0|2,0,1]=4 732 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,0|2,0,1]=4 733 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,0|2,0,1]=4 734 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,0|2,0,1]=4 735 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,0|2,0,1]=4 736 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,0,0,1,0,0|2,0,1]=4 737 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [0,0,0,1,0,0|2,0,1]=4 738 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [0,0,0,1,0,0|2,0,1]=4 739 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100000719477_100009818083 [0,0,0,1,0,0|3,0,0]=4 740 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100009818083_100000041952 [0,0,0,1,0,0|3,0,0]=4 741 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [0,0,0,1,0,0|2,0,1]=4 742 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [0,0,0,1,0,0|3,0,0]=4 743 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [2,0,0,0,0,0|2,0,0]=4 744 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [2,0,0,0,0,0|2,0,0]=4 745 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [2,0,0,0,0,0|2,0,0]=4 746 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [2,0,0,0,0,0|2,0,0]=4 747 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [2,0,0,0,0,0|2,0,0]=4 748 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [2,0,0,0,0,0|1,0,1]=4 749 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [2,0,0,0,0,0|1,0,1]=4 750 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [2,0,0,0,0,0|1,0,1]=4 751 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|0,0,2]=4 752 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|0,0,2]=4 753 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|0,0,2]=4 754 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|1,0,1]=4 755 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|1,0,1]=4 756 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [2,0,0,0,0,0|1,0,1]=4 757 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [2,0,0,0,0,0|1,0,1]=4 758 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,0]=3 759 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,0]=3 760 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,0]=3 761 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [2,0,0,0,0,0|2,0,0]=4 762 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [2,0,0,0,0,0|2,0,0]=4 763 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [2,0,0,0,0,0|2,0,0]=4 764 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,0]=3 765 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,0]=3 766 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [2,0,0,0,0,0|2,0,0]=4 767 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [2,0,0,0,0,0|2,0,0]=4 768 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [2,0,0,0,0,0|2,0,0]=4 769 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [2,0,0,0,0,0|2,0,0]=4 770 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [2,0,0,0,0,0|2,0,0]=4 771 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [2,0,0,0,0,0|2,0,0]=4 772 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [2,0,0,0,0,0|1,0,1]=4 773 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [2,0,0,0,0,0|1,0,1]=4 774 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [2,0,0,0,0,0|1,0,1]=4 775 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [2,0,0,0,0,0|1,0,1]=4 776 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [2,0,0,0,0,0|1,0,1]=4 777 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|0,0,2]=4 778 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|0,0,2]=4 779 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [1,1,0,0,0,0|1,0,1]=4 780 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [1,1,0,0,0,0|1,0,1]=4 781 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [1,1,0,0,0,0|1,0,1]=4 782 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [1,1,0,0,0,0|1,0,1]=4 783 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [1,1,0,0,0,0|1,0,1]=4 784 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|1,0,1]=4 785 B12R1.1 CCOC=Cc1ccc(cc1)Br 271570a_100016256518_100000752885 [1,1,0,0,0,0|1,0,1]=4 786 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [1,1,0,0,0,0|1,0,1]=4 787 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [1,1,0,0,0,0|1,0,1]=4 788 B12R1.1 CCOC=Cc1ccc(cc1)F 271570a_100016256518_100000211213 [1,1,0,0,0,0|1,0,1]=4 789 B12R1.1 CCOC=Cc1ccc(cc1)N 271570a_100016256518_100000185761 [1,1,0,0,0,0|1,0,1]=4 790 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [1,1,0,0,0,0|1,0,1]=4 791 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [1,1,0,0,0,0|1,0,1]=4 792 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [1,1,0,0,0,0|1,0,1]=4 793 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [1,1,0,0,0,0|1,0,1]=4 794 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [1,1,0,0,0,0|1,0,1]=4 795 B12R1.1 COCC=Cc1cc[n+](cc1)[O-] 271570a_100016286323_100000039755 [1,1,0,0,0,0|1,0,1]=4 796 B12R1.1 COCC=Cc1ccc(=O)[nH]c1 271570a_100016286323_100000212171 [1,1,0,0,0,0|1,0,1]=4 797 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [1,1,0,0,0,0|0,0,1]=3 798 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [1,1,0,0,0,0|0,0,1]=3 799 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [1,1,0,0,0,0|0,0,1]=3 800 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [1,1,0,0,0,0|0,0,1]=3 801 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [1,1,0,0,0,0|0,0,1]=3 802 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,1,0,0,0,0|0,0,1]=3 803 B12R1.1 COCC=Cc1ccc(cn1)Br 271570a_100016286323_100000686858 [1,1,0,0,0,0|1,0,1]=4 804 B12R1.1 COCC=Cc1ccc(cn1)C 271570a_100016286323_100000754016 [1,1,0,0,0,0|1,0,1]=4 805 B12R1.1 COCC=Cc1ccc(cn1)Cl 271570a_100016286323_100011356976 [1,1,0,0,0,0|1,0,1]=4 806 B12R1.1 COCC=Cc1ccc(cn1)F 271570a_100016286323_100000744514 [1,1,0,0,0,0|1,0,1]=4 807 B12R1.1 COCC=Cc1ccc(cn1)N 271570a_100016286323_100000744251 [1,1,0,0,0,0|1,0,1]=4 808 B12R1.1 COCC=Cc1ccc(cn1)O 271570a_100016286323_100000685995 [1,1,0,0,0,0|1,0,1]=4 809 B12R1.1 COCC=Cc1ccc(nc1)Br 271570a_100016286323_100009814638 [1,1,0,0,0,0|1,0,1]=4 810 B12R1.1 COCC=Cc1ccc(nc1)C 271570a_100016286323_100000751577 [1,1,0,0,0,0|1,0,1]=4 811 B12R1.1 COCC=Cc1ccc(nc1)Cl 271570a_100016286323_100000034144 [1,1,0,0,0,0|1,0,1]=4 812 B12R1.1 COCC=Cc1ccc(nc1)F 271570a_100016286323_100000748661 [1,1,0,0,0,0|1,0,1]=4 813 B12R1.1 COCC=Cc1ccc(nc1)N 271570a_100016286323_100000187370 [1,1,0,0,0,0|1,0,1]=4 814 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [1,1,0,0,0,0|1,0,1]=4 815 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [1,1,0,0,0,0|1,0,1]=4 816 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [1,1,0,0,0,0|1,0,1]=4 817 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [1,1,0,0,0,0|1,0,1]=4 818 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [1,1,0,0,0,0|1,0,1]=4 819 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [1,1,0,0,0,0|1,0,1]=4 820 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [1,1,0,0,0,0|1,0,1]=4 821 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [1,1,0,0,0,0|1,0,1]=4 822 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [1,1,0,0,0,0|1,0,1]=4 823 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [1,1,0,0,0,0|1,0,1]=4 824 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [1,1,0,0,0,0|1,0,1]=4 825 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [1,1,0,0,0,0|1,0,1]=4 826 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [1,1,0,0,0,0|1,0,1]=4 827 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [1,1,0,0,0,0|1,0,1]=4 828 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [1,1,0,0,0,0|1,0,1]=4 829 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|1,0,1]=4 830 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [1,1,0,0,0,0|1,0,1]=4 831 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [1,1,0,0,0,0|1,0,1]=4 832 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [1,1,0,0,0,0|1,0,1]=4 833 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [1,1,0,0,0,0|1,0,1]=4 834 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [1,1,0,0,0,0|1,0,1]=4 835 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [1,1,0,0,0,0|1,0,1]=4 836 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [1,1,0,0,0,0|1,0,1]=4 837 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [1,1,0,0,0,0|1,0,1]=4 838 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [1,1,0,0,0,0|1,0,1]=4 839 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [1,1,0,0,0,0|1,0,1]=4 840 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [1,1,0,0,0,0|1,0,1]=4 841 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [1,1,0,0,0,0|1,0,1]=4 842 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [1,1,0,0,0,0|1,0,1]=4 843 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [1,1,0,0,0,0|1,0,1]=4 844 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [1,1,0,0,0,0|1,0,1]=4 845 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|1,0,1]=4 846 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [1,1,0,0,0,0|1,0,1]=4 847 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [1,1,0,0,0,0|1,0,1]=4 848 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [1,1,0,0,0,0|1,0,1]=4 849 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [1,1,0,0,0,0|1,0,1]=4 850 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [1,1,0,0,0,0|1,0,1]=4 851 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [1,1,0,0,0,0|1,0,1]=4 852 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [1,1,0,0,0,0|1,0,1]=4 853 B12R1.28 CCOC=Cc1cccc(c1)Br 271570a_100016256518_100000691529 [1,1,0,0,0,0|1,0,1]=4 854 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [1,1,0,0,0,0|1,0,1]=4 855 B12R1.28 CCOC=Cc1cccc(c1)Cl 271570a_100016256518_100000699651 [1,1,0,0,0,0|1,0,1]=4 856 B12R1.28 CCOC=Cc1cccc(c1)F 271570a_100016256518_100000685547 [1,1,0,0,0,0|1,0,1]=4 857 B12R1.28 CCOC=Cc1cccc(c1)N 271570a_100016256518_100000210019 [1,1,0,0,0,0|1,0,1]=4 858 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [1,1,0,0,0,0|1,0,1]=4 859 B12R1.28 CCOC=Cc1cccc(c1)[S] 271570a_100016256518_114929384022 [1,1,0,0,0,0|1,0,1]=4 860 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [1,1,0,0,0,0|1,0,1]=4 861 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [1,1,0,0,0,0|1,0,1]=4 862 B12R1.28 COCC=Cc1cc(ccn1)C 271570a_100016286323_100000750283 [1,1,0,0,0,0|1,0,1]=4 863 B12R1.28 COCC=Cc1cc(ccn1)Cl 271570a_100016286323_100010167805 [1,1,0,0,0,0|1,0,1]=4 864 B12R1.28 COCC=Cc1cc(ccn1)F 271570a_100016286323_100009817058 [1,1,0,0,0,0|1,0,1]=4 865 B12R1.28 COCC=Cc1cc(ccn1)N 271570a_100016286323_100009814236 [1,1,0,0,0,0|1,0,1]=4 866 B12R1.28 COCC=Cc1cc(ccn1)O 271570a_100016286323_100000762945 [1,1,0,0,0,0|1,0,1]=4 867 B12R1.28 COCC=Cc1cc[nH]c(=O)c1 271570a_100016286323_100009816521 [1,1,0,0,0,0|1,0,1]=4 868 B12R1.28 COCC=Cc1ccc[n+](c1)C 271570a_100016286323_100009996589 [1,1,0,0,0,0|1,0,1]=4 869 B12R1.28 COCC=Cc1ccc[n+](c1)[O-] 271570a_100016286323_100009815978 [1,1,0,0,0,0|1,0,1]=4 870 B12R1.28 COCC=Cc1cccc(=O)[nH]1 271570a_100016286323_100000761760 [1,1,0,0,0,0|1,0,1]=4 871 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [1,1,0,0,0,0|0,0,1]=3 872 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [1,1,0,0,0,0|0,0,1]=3 873 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [1,1,0,0,0,0|0,0,1]=3 874 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [1,1,0,0,0,0|0,0,1]=3 875 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [1,1,0,0,0,0|0,0,1]=3 876 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [1,1,0,0,0,0|0,0,1]=3 877 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [1,1,0,0,0,0|0,0,1]=3 878 B12R1.28 COCC=Cc1cccc(n1)Br 271570a_100016286323_100000684672 [1,1,0,0,0,0|1,0,1]=4 879 B12R1.28 COCC=Cc1cccc(n1)C 271570a_100016286323_100000742759 [1,1,0,0,0,0|1,0,1]=4 880 B12R1.28 COCC=Cc1cccc(n1)F 271570a_100016286323_100009815982 [1,1,0,0,0,0|1,0,1]=4 881 B12R1.28 COCC=Cc1cccc(n1)N 271570a_100016286323_100000740741 [1,1,0,0,0,0|1,0,1]=4 882 B12R1.28 COCC=Cc1ccnc(c1)Br 271570a_100016286323_100009814637 [1,1,0,0,0,0|1,0,1]=4 883 B12R1.28 COCC=Cc1ccnc(c1)C 271570a_100016286323_100000758586 [1,1,0,0,0,0|1,0,1]=4 884 B12R1.28 COCC=Cc1ccnc(c1)Cl 271570a_100016286323_100000035001 [1,1,0,0,0,0|1,0,1]=4 885 B12R1.28 COCC=Cc1ccnc(c1)F 271570a_100016286323_100009816116 [1,1,0,0,0,0|1,0,1]=4 886 B12R1.28 COCC=Cc1ccnc(c1)N 271570a_100016286323_100000744379 [1,1,0,0,0,0|1,0,1]=4 887 B12R1.28 COCC=Cc1cncc(c1)Br 271570a_100016286323_100000728054 [1,1,0,0,0,0|1,0,1]=4 888 B12R1.28 COCC=Cc1cncc(c1)C 271570a_100016286323_100000760492 [1,1,0,0,0,0|1,0,1]=4 889 B12R1.28 COCC=Cc1cncc(c1)Cl 271570a_100016286323_100000049639 [1,1,0,0,0,0|1,0,1]=4 890 B12R1.28 COCC=Cc1cncc(c1)F 271570a_100016286323_100000744099 [1,1,0,0,0,0|1,0,1]=4 891 B12R1.28 COCC=Cc1cncc(c1)N 271570a_100016286323_100000687067 [1,1,0,0,0,0|1,0,1]=4 892 B12R1.28 COCC=Cc1cncc(c1)O 271570a_100016286323_100000754920 [1,1,0,0,0,0|1,0,1]=4 893 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [1,1,0,0,0,0|1,0,1]=4 894 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [1,1,0,0,0,0|1,0,1]=4 895 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [1,1,0,0,0,0|1,0,1]=4 896 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [1,1,0,0,0,0|1,0,1]=4 897 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [1,1,0,0,0,0|1,0,1]=4 898 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [1,1,0,0,0,0|1,0,1]=4 899 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [1,1,0,0,0,0|1,0,1]=4 900 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [1,1,0,0,0,0|1,0,1]=4 901 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [1,1,0,0,0,0|1,0,1]=4 902 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [1,1,0,0,0,0|1,0,1]=4 903 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [1,1,0,0,0,0|1,0,1]=4 904 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [1,1,0,0,0,0|1,0,1]=4 905 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [1,1,0,0,0,0|1,0,1]=4 906 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [1,1,0,0,0,0|1,0,1]=4 907 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [1,1,0,0,0,0|1,0,1]=4 908 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [1,1,0,0,0,0|1,0,1]=4 909 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [1,1,0,0,0,0|1,0,1]=4 910 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [1,1,0,0,0,0|1,0,1]=4 911 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [1,1,0,0,0,0|1,0,1]=4 912 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [1,1,0,0,0,0|1,0,1]=4 913 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [1,1,0,0,0,0|1,0,1]=4 914 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [1,1,0,0,0,0|1,0,1]=4 915 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [1,1,0,0,0,0|1,0,1]=4 916 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [1,1,0,0,0,0|1,0,1]=4 917 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [1,1,0,0,0,0|1,0,1]=4 918 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [1,1,0,0,0,0|1,0,1]=4 919 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [1,1,0,0,0,0|1,0,1]=4 920 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [1,1,0,0,0,0|1,0,1]=4 921 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [1,1,0,0,0,0|1,0,1]=4 922 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [1,1,0,0,0,0|1,0,1]=4 923 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [1,1,0,0,0,0|1,0,1]=4 924 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [1,1,0,0,0,0|1,0,1]=4 925 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [1,1,0,0,0,0|1,0,1]=4 926 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [1,1,0,0,0,0|1,0,1]=4 927 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [1,1,0,0,0,0|1,0,1]=4 928 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [1,1,0,0,0,0|2,0,0]=4 929 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [1,1,0,0,0,0|1,0,1]=4 930 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [1,1,0,0,0,0|2,0,0]=4 931 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [1,1,0,0,0,0|2,0,0]=4 932 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [1,1,0,0,0,0|2,0,0]=4 933 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [1,1,0,0,0,0|1,0,1]=4 934 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [1,1,0,0,0,0|1,0,1]=4 935 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [1,1,0,0,0,0|0,0,2]=4 937 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,1,0,0,0,0|1,0,1]=4 938 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [1,1,0,0,0,0|1,0,1]=4 939 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [1,1,0,0,0,0|1,0,1]=4 940 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [1,1,0,0,0,0|0,0,1]=3 941 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [1,1,0,0,0,0|0,0,1]=3 942 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [1,1,0,0,0,0|1,0,1]=4 943 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 944 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [1,1,0,0,0,0|2,0,0]=4 947 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [1,1,0,0,0,0|1,0,1]=4 948 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [1,1,0,0,0,0|1,0,1]=4 949 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [1,1,0,0,0,0|0,0,1]=3 950 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [1,1,0,0,0,0|0,0,1]=3 951 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [1,1,0,0,0,0|0,0,2]=4 952 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 953 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 954 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 955 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [1,1,0,0,0,0|1,0,1]=4 956 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [1,1,0,0,0,0|1,0,1]=4 957 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 958 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [1,1,0,0,0,0|1,0,1]=4 959 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [1,1,0,0,0,0|1,0,1]=4 960 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,1,0,0,0,0|0,0,0]=2 961 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,1,0,0,0,0|0,0,0]=2 962 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,1,0,0,0,0|1,0,1]=4 963 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [1,1,0,0,0,0|0,0,2]=4 964 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [1,1,0,0,0,0|0,0,2]=4 965 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [1,1,0,0,0,0|0,0,2]=4 966 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [1,1,0,0,0,0|1,0,1]=4 967 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [1,1,0,0,0,0|1,0,1]=4 968 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [1,1,0,0,0,0|1,0,1]=4 969 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [1,1,0,0,0,0|1,0,1]=4 970 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [1,1,0,0,0,0|1,0,1]=4 971 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [1,1,0,0,0,0|1,0,1]=4 972 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [1,1,0,0,0,0|1,0,1]=4 973 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [1,1,0,0,0,0|1,0,1]=4 974 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [1,1,0,0,0,0|1,0,1]=4 975 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [1,1,0,0,0,0|1,0,1]=4 976 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [1,1,0,0,0,0|1,0,1]=4 977 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [1,1,0,0,0,0|1,0,1]=4 978 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [1,1,0,0,0,0|1,0,1]=4 979 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [1,1,0,0,0,0|1,0,1]=4 980 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [1,1,0,0,0,0|1,0,1]=4 981 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [1,1,0,0,0,0|1,0,0]=3 983 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [1,1,0,0,0,0|1,0,0]=3 984 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [1,1,0,0,0,0|2,0,0]=4 985 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [1,1,0,0,0,0|2,0,0]=4 986 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [1,1,0,0,0,0|1,0,0]=3 987 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [1,1,0,0,0,0|1,0,0]=3 988 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [1,1,0,0,0,0|2,0,0]=4 989 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [1,1,0,0,0,0|2,0,0]=4 990 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [1,1,0,0,0,0|2,0,0]=4 991 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [1,1,0,0,0,0|2,0,0]=4 992 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [1,1,0,0,0,0|2,0,0]=4 993 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [1,1,0,0,0,0|2,0,0]=4 994 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [1,1,0,0,0,0|1,0,1]=4 995 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [1,1,0,0,0,0|1,0,1]=4 996 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [1,1,0,0,0,0|1,0,1]=4 997 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [1,1,0,0,0,0|1,0,1]=4 998 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [1,1,0,0,0,0|1,0,1]=4 999 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [1,1,0,0,0,0|1,0,1]=4 1000 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [1,1,0,0,0,0|1,0,1]=4 1001 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [1,1,0,0,0,0|1,0,1]=4 1002 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [1,1,0,0,0,0|1,0,1]=4 1003 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [1,1,0,0,0,0|1,0,1]=4 1004 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [1,1,0,0,0,0|1,0,1]=4 1005 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [1,1,0,0,0,0|1,0,1]=4 1006 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [1,1,0,0,0,0|1,0,1]=4 1007 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [1,1,0,0,0,0|1,0,1]=4 1008 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [1,1,0,0,0,0|1,0,1]=4 1009 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [1,1,0,0,0,0|1,0,1]=4 1010 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [1,1,0,0,0,0|1,0,1]=4 1011 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [1,1,0,0,0,0|1,0,1]=4 1012 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [1,1,0,0,0,0|1,0,1]=4 1013 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [1,1,0,0,0,0|1,0,1]=4 1014 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [1,1,0,0,0,0|1,0,1]=4 1015 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,1,0,0,0,0|0,0,0]=2 1016 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,1,0,0,0,0|1,0,1]=4 1017 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [1,1,0,0,0,0|0,0,2]=4 1018 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [1,1,0,0,0,0|1,0,1]=4 1019 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [1,1,0,0,0,0|1,0,1]=4 1020 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [1,1,0,0,0,0|1,0,1]=4 1021 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [1,1,0,0,0,0|1,0,1]=4 1022 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [1,1,0,0,0,0|1,0,1]=4 1023 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [1,1,0,0,0,0|1,0,1]=4 1024 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [1,1,0,0,0,0|1,0,1]=4 1025 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [1,1,0,0,0,0|1,0,1]=4 1026 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [1,1,0,0,0,0|1,0,1]=4 1027 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,1,0,0,0,0|1,0,1]=4 1028 B12R1.267 CCOC=Cc1ccccc1Br 271570a_100016256518_100000695589 [1,1,0,0,0,0|1,0,1]=4 1029 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [1,1,0,0,0,0|1,0,1]=4 1030 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [1,1,0,0,0,0|1,0,1]=4 1031 B12R1.267 CCOC=Cc1ccccc1F 271570a_100016256518_100011215700 [1,1,0,0,0,0|1,0,1]=4 1032 B12R1.267 CCOC=Cc1ccccc1N 271570a_100016256518_100000210017 [1,1,0,0,0,0|1,0,1]=4 1033 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [1,1,0,0,0,0|1,0,1]=4 1034 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [1,1,0,0,0,0|1,0,1]=4 1035 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [1,1,0,0,0,0|1,0,1]=4 1036 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [1,1,0,0,0,0|1,0,1]=4 1037 B12R1.267 COCC=Cc1c[nH]ccc1=O 271570a_100016286323_100009998708 [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.267 COCC=Cc1c[nH]ccc1=S 271570a_100016286323_200012280681 [1,1,0,0,0,0|1,0,1]=4 1039 B12R1.267 COCC=Cc1ccc[nH]c1=O 271570a_100016286323_100000050042 [1,1,0,0,0,0|1,0,1]=4 1040 B12R1.267 COCC=Cc1cccc[n+]1C 271570a_100016286323_100000212160 [1,1,0,0,0,0|1,0,1]=4 1041 B12R1.267 COCC=Cc1cccc[n+]1[O-] 271570a_100016286323_200000042595 [1,1,0,0,0,0|1,0,1]=4 1042 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [1,1,0,0,0,0|0,0,1]=3 1043 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [1,1,0,0,0,0|0,0,1]=3 1044 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [1,1,0,0,0,0|0,0,1]=3 1045 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [1,1,0,0,0,0|0,0,1]=3 1046 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [1,1,0,0,0,0|0,0,1]=3 1047 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [1,1,0,0,0,0|0,0,1]=3 1048 B12R1.267 COCC=Cc1cccnc1Br 271570a_100016286323_100010202626 [1,1,0,0,0,0|1,0,1]=4 1049 B12R1.267 COCC=Cc1cccnc1C 271570a_100016286323_100000751574 [1,1,0,0,0,0|1,0,1]=4 1050 B12R1.267 COCC=Cc1cccnc1Cl 271570a_100016286323_100000036424 [1,1,0,0,0,0|1,0,1]=4 1051 B12R1.267 COCC=Cc1cccnc1F 271570a_100016286323_100009816115 [1,1,0,0,0,0|1,0,1]=4 1052 B12R1.267 COCC=Cc1cccnc1N 271570a_100016286323_100000045569 [1,1,0,0,0,0|1,0,1]=4 1053 B12R1.267 COCC=Cc1ccncc1Br 271570a_100016286323_100000726257 [1,1,0,0,0,0|1,0,1]=4 1054 B12R1.267 COCC=Cc1ccncc1C 271570a_100016286323_100015191297 [1,1,0,0,0,0|1,0,1]=4 1055 B12R1.267 COCC=Cc1ccncc1Cl 271570a_100016286323_100000708259 [1,1,0,0,0,0|1,0,1]=4 1056 B12R1.267 COCC=Cc1ccncc1F 271570a_100016286323_100000047030 [1,1,0,0,0,0|1,0,1]=4 1057 B12R1.267 COCC=Cc1ccncc1N 271570a_100016286323_100009815883 [1,1,0,0,0,0|1,0,1]=4 1058 B12R1.267 COCC=Cc1ccncc1O 271570a_100016286323_100009817591 [1,1,0,0,0,0|1,0,1]=4 1059 B12R1.267 COCC=Cc1cnccc1Br 271570a_100016286323_100010138639 [1,1,0,0,0,0|1,0,1]=4 1060 B12R1.267 COCC=Cc1cnccc1C 271570a_100016286323_100000761580 [1,1,0,0,0,0|1,0,1]=4 1061 B12R1.267 COCC=Cc1cnccc1Cl 271570a_100016286323_100009995489 [1,1,0,0,0,0|1,0,1]=4 1062 B12R1.267 COCC=Cc1cnccc1F 271570a_100016286323_100009820683 [1,1,0,0,0,0|1,0,1]=4 1063 B12R1.267 COCC=Cc1cnccc1N 271570a_100016286323_100000047001 [1,1,0,0,0,0|1,0,1]=4 1064 B12R1.267 COCC=Cc1ncccc1Br 271570a_100016286323_100000696092 [1,1,0,0,0,0|1,0,1]=4 1065 B12R1.267 COCC=Cc1ncccc1C 271570a_100016286323_100000751373 [1,1,0,0,0,0|1,0,1]=4 1066 B12R1.267 COCC=Cc1ncccc1Cl 271570a_100016286323_100011356963 [1,1,0,0,0,0|1,0,1]=4 1067 B12R1.267 COCC=Cc1ncccc1F 271570a_100016286323_100000685392 [1,1,0,0,0,0|1,0,1]=4 1068 B12R1.267 COCC=Cc1ncccc1N 271570a_100016286323_100000688686 [1,1,0,0,0,0|1,0,1]=4 1069 B12R1.267 COCC=Cc1ncccc1O 271570a_100016286323_100000034122 [1,1,0,0,0,0|1,0,1]=4 1070 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,1,0,0,0,0|1,0,1]=4 1071 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [1,1,0,0,0,0|1,0,1]=4 1072 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [1,1,0,0,0,0|1,0,1]=4 1073 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [1,1,0,0,0,0|1,0,1]=4 1074 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [1,1,0,0,0,0|1,0,1]=4 1076 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [1,1,0,0,0,0|1,0,1]=4 1077 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [1,1,0,0,0,0|1,0,1]=4 1078 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [1,1,0,0,0,0|1,0,1]=4 1079 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [1,1,0,0,0,0|1,0,1]=4 1080 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [1,1,0,0,0,0|1,0,1]=4 1081 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|1,0,1]=4 1082 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [1,1,0,0,0,0|1,0,1]=4 1083 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [1,1,0,0,0,0|1,0,1]=4 1084 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [1,1,0,0,0,0|1,0,1]=4 1085 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [1,1,0,0,0,0|1,0,1]=4 1086 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [1,1,0,0,0,0|1,0,1]=4 1087 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [1,1,0,0,0,0|1,0,1]=4 1088 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [1,1,0,0,0,0|1,0,1]=4 1089 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [1,1,0,0,0,0|1,0,1]=4 1090 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [1,1,0,0,0,0|1,0,1]=4 1091 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [1,1,0,0,0,0|1,0,1]=4 1092 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [1,1,0,0,0,0|1,0,1]=4 1093 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [1,1,0,0,0,0|1,0,1]=4 1094 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [1,1,0,0,0,0|1,0,1]=4 1095 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [1,1,0,0,0,0|1,0,1]=4 1096 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [1,1,0,0,0,0|1,0,1]=4 1097 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [1,1,0,0,0,0|1,0,1]=4 1098 B12R1.255 CC(=O)OCC=Cc1c[nH]cn1 271570a_200000047263_100000756875 [0,1,0,0,1,0|2,0,0]=4 1099 B12R1.255 CC(=O)OCC=Cc1cc[nH]n1 271570a_200000047263_100000062575 [0,1,0,0,1,0|2,0,0]=4 1100 B12R1.255 CC(=O)OCC=Cc1ccco1 271570a_200000047263_100009814098 [0,1,0,0,1,0|1,0,0]=3 1101 B12R1.255 CC(=O)OCC=Cc1cccs1 271570a_200000047263_100011215356 [0,1,0,0,1,0|1,0,0]=3 1102 B12R1.255 CC(=O)OCC=Cc1ccoc1 271570a_200000047263_100011215275 [0,1,0,0,1,0|1,0,0]=3 1103 B12R1.255 CC(=O)OCC=Cc1ccsc1 271570a_200000047263_100000738268 [0,1,0,0,1,0|1,0,0]=3 1104 B12R1.255 CC(=O)OCC=Cc1ccsn1 271570a_200000047263_100009818082 [0,1,0,0,1,0|2,0,0]=4 1105 B12R1.255 CC(=O)OCC=Cc1cn[nH]c1 271570a_200000047263_100000238712 [0,1,0,0,1,0|2,0,0]=4 1106 B12R1.255 CC(=O)OCC=Cc1cnco1 271570a_200000047263_100020591547 [0,1,0,0,1,0|2,0,0]=4 1107 B12R1.255 CC(=O)OCC=Cc1cncs1 271570a_200000047263_100011934649 [0,1,0,0,1,0|2,0,0]=4 1108 B12R1.255 CC(=O)OCC=Cc1cnoc1 271570a_200000047263_100009815712 [0,1,0,0,1,0|2,0,0]=4 1109 B12R1.255 CC(=O)OCC=Cc1cnsc1 271570a_200000047263_100009815736 [0,1,0,0,1,0|2,0,0]=4 1110 B12R1.255 CC(=O)OCC=Cc1cscn1 271570a_200000047263_100000751502 [0,1,0,0,1,0|2,0,0]=4 1111 B12R1.255 CC(=O)OCC=Cc1ncc[nH]1 271570a_200000047263_100025796157 [0,1,0,0,1,0|2,0,0]=4 1112 B12R1.255 CC(=O)OCC=Cc1ncco1 271570a_200000047263_100011787736 [0,1,0,0,1,0|2,0,0]=4 1113 B12R1.255 CC(=O)OCC=Cc1nccs1 271570a_200000047263_100000211983 [0,1,0,0,1,0|2,0,0]=4 1114 B14R1.20 C=COCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000039644 [0,2,0,0,0,0|1,0,1]=4 1115 B14R1.20 C=COCCC(=O)c1cccc(c1)C 1458a_100000189346_100000039644 [0,2,0,0,0,0|1,0,1]=4 1116 B14R1.20 C=COCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000039644 [0,2,0,0,0,0|1,0,1]=4 1117 B14R1.20 C=COCCC(=O)c1cccc(c1)F 1458a_100000210950_100000039644 [0,2,0,0,0,0|1,0,1]=4 1118 B14R1.20 C=COCCC(=O)c1cccc(c1)I 1458a_100000184098_100000039644 [0,2,0,0,0,0|1,0,1]=4 1119 B14R1.20 C=COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000039644 [0,2,0,0,0,0|1,0,1]=4 1120 B14R1.26 C=CCNCC=Cc1cccc(c1)C 270004a_100020586998_100102525846 [0,2,0,0,0,0|2,0,0]=4 1121 B14R1.26 C=CCNCC=Cc1cccc(c1)Cl 270004a_100020586998_100016268971 [0,2,0,0,0,0|2,0,0]=4 1122 B14R1.26 Cc1cccc(c1)OCCOCC=O 34a_200011215094_200009817547 [0,2,0,0,0,0|1,0,1]=4 1123 B14R1.26 Cc1cccc(c1)OCCOCC=O 7a_200011215094_200015260668 [0,2,0,0,0,0|1,0,1]=4 1124 B14R1.26 Cc1cccc(c1)SCCOCC=O 34a_200011432187_200009817547 [0,2,0,0,0,0|1,0,1]=4 1125 B14R1.26 Cc1cccc(c1)SCCOCC=O 7a_200011432187_200015260668 [0,2,0,0,0,0|1,0,1]=4 1126 B14R1.26 Nc1cccc(c1)CCCOCC=O 34a_200000698965_200009817547 [0,2,0,0,0,0|0,0,2]=4 1127 B14R1.26 Nc1cccc(c1)CCCOCC=O 7a_200000698965_200015260668 [0,2,0,0,0,0|0,0,2]=4 1128 B14R1.26 Nc1cccc(c1)OCCOCC=O 34a_100011232151_200009817547 [0,2,0,0,0,0|1,0,1]=4 1129 B14R1.26 O=CCOCC#Cc1cccc(c1)Br 34a_100009814051_200009817547 [0,2,0,0,0,0|0,0,2]=4 1130 B14R1.26 O=CCOCC#Cc1cccc(c1)Br 7a_100009814051_200015260668 [0,2,0,0,0,0|0,0,2]=4 1131 B14R1.26 O=CCOCC#Cc1cccc(c1)Cl 34a_100011218842_200009817547 [0,2,0,0,0,0|0,0,2]=4 1132 B14R1.26 O=CCOCC#Cc1cccc(c1)Cl 7a_100011218842_200015260668 [0,2,0,0,0,0|0,0,2]=4 1133 B14R1.26 O=CCOCC#Cc1cccc(c1)F 34a_100011219115_200009817547 [0,2,0,0,0,0|0,0,2]=4 1134 B14R1.26 O=CCOCC#Cc1cccc(c1)F 7a_100011219115_200015260668 [0,2,0,0,0,0|0,0,2]=4 1135 B14R1.26 O=CCOCCCc1cccc(c1)Br 34a_100011709248_200009817547 [0,2,0,0,0,0|0,0,2]=4 1136 B14R1.26 O=CCOCCCc1cccc(c1)Br 7a_100011709248_200015260668 [0,2,0,0,0,0|0,0,2]=4 1137 B14R1.26 O=CCOCCCc1cccc(c1)Cl 34a_100011709246_200009817547 [0,2,0,0,0,0|0,0,2]=4 1138 B14R1.26 O=CCOCCCc1cccc(c1)Cl 7a_100011709246_200015260668 [0,2,0,0,0,0|0,0,2]=4 1139 B14R1.26 O=CCOCCOc1cccc(c1)Br 34a_100000757546_200009817547 [0,2,0,0,0,0|1,0,1]=4 1140 B14R1.26 O=CCOCCOc1cccc(c1)Br 7a_100000757546_200015260668 [0,2,0,0,0,0|1,0,1]=4 1141 B14R1.26 O=CCOCCOc1cccc(c1)Cl 34a_100000230539_200009817547 [0,2,0,0,0,0|1,0,1]=4 1142 B14R1.26 O=CCOCCOc1cccc(c1)Cl 7a_100000230539_200015260668 [0,2,0,0,0,0|1,0,1]=4 1143 B14R1.26 O=CCOCCSc1cccc(c1)Br 7a_200011756134_200015260668 [0,2,0,0,0,0|1,0,1]=4 1144 B14R1.26 O=CCOCCSc1cccc(c1)Cl 34a_200011721761_200009817547 [0,2,0,0,0,0|1,0,1]=4 1145 B14R1.26 O=CCOCCSc1cccc(c1)Cl 7a_200011721761_200015260668 [0,2,0,0,0,0|1,0,1]=4 1146 B14R1.26 O=CCOCCSc1cccc(c1)F 34a_200011996949_200009817547 [0,2,0,0,0,0|1,0,1]=4 1147 B14R1.26 O=CCOCCSc1cccc(c1)F 7a_200011996949_200015260668 [0,2,0,0,0,0|1,0,1]=4 1148 B14R1.148 CC(=O)OCC=Cc1c[n+](ccn1)[O-] 271570a_200000047263_100009880115 [0,2,0,0,0,0|2,0,0]=4 1149 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)C 271570a_200000047263_100000750283 [0,2,0,0,0,0|1,0,0]=3 1150 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)Cl 271570a_200000047263_100010167805 [0,2,0,0,0,0|1,0,0]=3 1151 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)F 271570a_200000047263_100009817058 [0,2,0,0,0,0|1,0,0]=3 1152 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)N 271570a_200000047263_100009814236 [0,2,0,0,0,0|1,0,0]=3 1153 B14R1.148 CC(=O)OCC=Cc1cc(ccn1)O 271570a_200000047263_100000762945 [0,2,0,0,0,0|1,0,0]=3 1154 B14R1.148 CC(=O)OCC=Cc1cc(cnn1)C 271570a_200000047263_100000070100 [0,2,0,0,0,0|2,0,0]=4 1155 B14R1.148 CC(=O)OCC=Cc1cc(cnn1)O 271570a_200000047263_200010734679 [0,2,0,0,0,0|2,0,0]=4 1156 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)C 271570a_200000047263_100000744208 [0,2,0,0,0,0|2,0,0]=4 1157 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)F 271570a_200000047263_200009880791 [0,2,0,0,0,0|2,0,0]=4 1158 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)N 271570a_200000047263_100000701291 [0,2,0,0,0,0|2,0,0]=4 1159 B14R1.148 CC(=O)OCC=Cc1cc(ncn1)O 271570a_200000047263_100000765262 [0,2,0,0,0,0|2,0,0]=4 1160 B14R1.148 CC(=O)OCC=Cc1cc[nH]c(=O)c1 271570a_200000047263_100009816521 [0,2,0,0,0,0|1,0,0]=3 1161 B14R1.148 CC(=O)OCC=Cc1cc[nH]c(=O)n1 271570a_200000047263_200000134032 [0,2,0,0,0,0|2,0,0]=4 1162 B14R1.148 CC(=O)OCC=Cc1ccc[n+](c1)C 271570a_200000047263_100009996589 [0,2,0,0,0,0|1,0,0]=3 1163 B14R1.148 CC(=O)OCC=Cc1ccc[n+](c1)[O-] 271570a_200000047263_100009815978 [0,2,0,0,0,0|1,0,0]=3 1164 B14R1.148 CC(=O)OCC=Cc1cccc(=O)[nH]1 271570a_200000047263_100000761760 [0,2,0,0,0,0|1,0,0]=3 1165 B14R1.148 CC(=O)OCC=Cc1cccc(c1)Br 271570a_200000047263_100000691529 [0,2,0,0,0,0|0,0,0]=2 1166 B14R1.148 CC(=O)OCC=Cc1cccc(c1)C 271570a_200000047263_100011215228 [0,2,0,0,0,0|0,0,0]=2 1167 B14R1.148 CC(=O)OCC=Cc1cccc(c1)Cl 271570a_200000047263_100000699651 [0,2,0,0,0,0|0,0,0]=2 1168 B14R1.148 CC(=O)OCC=Cc1cccc(c1)F 271570a_200000047263_100000685547 [0,2,0,0,0,0|0,0,0]=2 1169 B14R1.148 CC(=O)OCC=Cc1cccc(c1)N 271570a_200000047263_100000210019 [0,2,0,0,0,0|0,0,0]=2 1170 B14R1.148 CC(=O)OCC=Cc1cccc(c1)O 271570a_200000047263_100000211634 [0,2,0,0,0,0|0,0,0]=2 1171 B14R1.148 CC(=O)OCC=Cc1cccc(c1)[S] 271570a_200000047263_114929384022 [0,2,0,0,0,0|0,0,0]=2 1172 B14R1.148 CC(=O)OCC=Cc1cccc(n1)Br 271570a_200000047263_100000684672 [0,2,0,0,0,0|1,0,0]=3 1173 B14R1.148 CC(=O)OCC=Cc1cccc(n1)C 271570a_200000047263_100000742759 [0,2,0,0,0,0|1,0,0]=3 1174 B14R1.148 CC(=O)OCC=Cc1cccc(n1)F 271570a_200000047263_100009815982 [0,2,0,0,0,0|1,0,0]=3 1175 B14R1.148 CC(=O)OCC=Cc1cccc(n1)N 271570a_200000047263_100000740741 [0,2,0,0,0,0|1,0,0]=3 1176 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)Br 271570a_200000047263_100009814637 [0,2,0,0,0,0|1,0,0]=3 1177 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)C 271570a_200000047263_100000758586 [0,2,0,0,0,0|1,0,0]=3 1178 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)Cl 271570a_200000047263_100000035001 [0,2,0,0,0,0|1,0,0]=3 1179 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)F 271570a_200000047263_100009816116 [0,2,0,0,0,0|1,0,0]=3 1180 B14R1.148 CC(=O)OCC=Cc1ccnc(c1)N 271570a_200000047263_100000744379 [0,2,0,0,0,0|1,0,0]=3 1181 B14R1.148 CC(=O)OCC=Cc1ccnc(n1)C 271570a_200000047263_100000749937 [0,2,0,0,0,0|2,0,0]=4 1182 B14R1.148 CC(=O)OCC=Cc1ccnc(n1)N 271570a_200000047263_100009820717 [0,2,0,0,0,0|2,0,0]=4 1183 B14R1.148 CC(=O)OCC=Cc1cn[nH]c(=O)c1 271570a_200000047263_100010197405 [0,2,0,0,0,0|2,0,0]=4 1184 B14R1.148 CC(=O)OCC=Cc1cncc(c1)Br 271570a_200000047263_100000728054 [0,2,0,0,0,0|1,0,0]=3 1185 B14R1.148 CC(=O)OCC=Cc1cncc(c1)C 271570a_200000047263_100000760492 [0,2,0,0,0,0|1,0,0]=3 1186 B14R1.148 CC(=O)OCC=Cc1cncc(c1)Cl 271570a_200000047263_100000049639 [0,2,0,0,0,0|1,0,0]=3 1187 B14R1.148 CC(=O)OCC=Cc1cncc(c1)F 271570a_200000047263_100000744099 [0,2,0,0,0,0|1,0,0]=3 1188 B14R1.148 CC(=O)OCC=Cc1cncc(c1)N 271570a_200000047263_100000687067 [0,2,0,0,0,0|1,0,0]=3 1189 B14R1.148 CC(=O)OCC=Cc1cncc(c1)O 271570a_200000047263_100000754920 [0,2,0,0,0,0|1,0,0]=3 1190 B14R1.148 CC(=O)OCC=Cc1cncc(n1)C 271570a_200000047263_100009842155 [0,2,0,0,0,0|2,0,0]=4 1191 B14R1.148 CC(=O)OCC=Cc1cncc(n1)F 271570a_200000047263_200009863489 [0,2,0,0,0,0|2,0,0]=4 1192 B14R1.148 CC(=O)OCC=Cc1cncc(n1)N 271570a_200000047263_100009819714 [0,2,0,0,0,0|2,0,0]=4 1193 B14R1.148 CC(=O)OCC=Cc1cncc(n1)O 271570a_200000047263_100011269956 [0,2,0,0,0,0|2,0,0]=4 1194 B14R1.148 CC(=O)OCC=Cc1cnnc(c1)N 271570a_200000047263_100000130277 [0,2,0,0,0,0|2,0,0]=4 1195 B14R1.148 CC(=O)OCC=Cc1nccc(n1)C 271570a_200000047263_100011243806 [0,2,0,0,0,0|2,0,0]=4 1196 B14R1.148 CC(=O)OCC=Cc1nccc(n1)N 271570a_200000047263_100000757536 [0,2,0,0,0,0|2,0,0]=4 1197 B14R1.148 CC(=O)OCC=Cc1nccc(n1)O 271570a_200000047263_100011649813 [0,2,0,0,0,0|2,0,0]=4 1198 B14R1.148 CC(=O)OCCNc1cccc(c1)Br 34a_100000210019_100009814007 [0,2,0,0,0,0|1,0,1]=4 1199 B14R1.148 CC(=O)OCCNc1cccc(c1)C 34a_100000188690_100009814007 [0,2,0,0,0,0|1,0,1]=4 1200 B14R1.148 CC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_100009814007 [0,2,0,0,0,0|1,0,1]=4 1201 B14R1.148 CC(=O)OCCNc1cccc(c1)F 34a_100000210047_100009814007 [0,2,0,0,0,0|1,0,1]=4 1202 B14R1.148 CC(=O)OCCNc1cccc(c1)I 34a_100000211102_100009814007 [0,2,0,0,0,0|1,0,1]=4 1203 B14R1.148 CC(=O)OCCNc1cccc(c1)O 34a_100000210217_100009814007 [0,2,0,0,0,0|1,0,1]=4 1204 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 34a_100000210342_100009814007 [0,2,0,0,0,0|1,0,1]=4 1205 B14R1.148 CC(=O)OCCOc1cccc(c1)Br 7a_100000210342_100009814007 [0,2,0,0,0,0|1,0,1]=4 1206 B14R1.148 CC(=O)OCCOc1cccc(c1)C 34a_100000210337_100009814007 [0,2,0,0,0,0|1,0,1]=4 1207 B14R1.148 CC(=O)OCCOc1cccc(c1)C 7a_100000210337_100009814007 [0,2,0,0,0,0|1,0,1]=4 1208 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_100009814007 [0,2,0,0,0,0|1,0,1]=4 1209 B14R1.148 CC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_100009814007 [0,2,0,0,0,0|1,0,1]=4 1210 B14R1.148 CC(=O)OCCOc1cccc(c1)F 34a_100000210426_100009814007 [0,2,0,0,0,0|1,0,1]=4 1211 B14R1.148 CC(=O)OCCOc1cccc(c1)F 7a_100000210426_100009814007 [0,2,0,0,0,0|1,0,1]=4 1212 B14R1.148 CC(=O)OCCOc1cccc(c1)I 34a_100000211634_100009814007 [0,2,0,0,0,0|1,0,1]=4 1213 B14R1.148 CC(=O)OCCOc1cccc(c1)I 7a_100000211634_100009814007 [0,2,0,0,0,0|1,0,1]=4 1214 B14R1.148 CC(=O)OCCOc1cccc(c1)N 34a_100000210217_100009814007 [0,2,0,0,0,0|1,0,1]=4 1215 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100000691529_100009814007 [0,2,0,0,0,0|1,0,1]=4 1216 B14R1.148 CC(=O)OCCSc1cccc(c1)Br 62a_100009814007_100000691529 [0,2,0,0,0,0|1,0,1]=4 1217 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100009814007_100011215228 [0,2,0,0,0,0|1,0,1]=4 1218 B14R1.148 CC(=O)OCCSc1cccc(c1)C 62a_100011215228_100009814007 [0,2,0,0,0,0|1,0,1]=4 1219 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_100009814007 [0,2,0,0,0,0|1,0,1]=4 1220 B14R1.148 CC(=O)OCCSc1cccc(c1)Cl 62a_100009814007_100000699651 [0,2,0,0,0,0|1,0,1]=4 1221 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100000685547_100009814007 [0,2,0,0,0,0|1,0,1]=4 1222 B14R1.148 CC(=O)OCCSc1cccc(c1)F 62a_100009814007_100000685547 [0,2,0,0,0,0|1,0,1]=4 1223 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100000210019_100009814007 [0,2,0,0,0,0|1,0,1]=4 1224 B14R1.148 CC(=O)OCCSc1cccc(c1)N 62a_100009814007_100000210019 [0,2,0,0,0,0|1,0,1]=4 1225 B14R1.148 CC(=O)OCCSc1cccc(c1)O 62a_100009814007_100000211634 [0,2,0,0,0,0|1,0,1]=4 1226 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_100009814007_114929384022 [0,2,0,0,0,0|1,0,1]=4 1227 B14R1.148 CC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_100009814007 [0,2,0,0,0,0|1,0,1]=4 1228 B14R1.148 CC(=O)OCNCc1cccc(c1)Br 34a_100000174977_100009813279 [0,2,0,0,0,0|1,0,1]=4 1229 B14R1.148 CC(=O)OCNCc1cccc(c1)C 34a_100000185548_100009813279 [0,2,0,0,0,0|1,0,1]=4 1230 B14R1.148 CC(=O)OCNCc1cccc(c1)Cl 34a_100000174878_100009813279 [0,2,0,0,0,0|1,0,1]=4 1231 B14R1.148 CC(=O)OCNCc1cccc(c1)F 34a_100000174948_100009813279 [0,2,0,0,0,0|1,0,1]=4 1232 B14R1.148 CC(=O)OCNCc1cccc(c1)I 34a_100000106179_100009813279 [0,2,0,0,0,0|1,0,1]=4 1233 B14R1.148 CC(=O)OCNCc1cccc(c1)O 34a_100000743036_100009813279 [0,2,0,0,0,0|1,0,1]=4 1234 B14R1.148 CC(=O)OCOCc1cccc(c1)Br 34a_100000687537_100009813279 [0,2,0,0,0,0|1,0,1]=4 1235 B14R1.148 CC(=O)OCOCc1cccc(c1)C 34a_100011217746_100009813279 [0,2,0,0,0,0|1,0,1]=4 1236 B14R1.148 CC(=O)OCOCc1cccc(c1)Cl 34a_100000241301_100009813279 [0,2,0,0,0,0|1,0,1]=4 1237 B14R1.148 CC(=O)OCOCc1cccc(c1)F 34a_100000210976_100009813279 [0,2,0,0,0,0|1,0,1]=4 1238 B14R1.148 CC(=O)OCOCc1cccc(c1)I 34a_100011215336_100009813279 [0,2,0,0,0,0|1,0,1]=4 1239 B14R1.148 CC(=O)OCOCc1cccc(c1)N 34a_100000211919_100009813279 [0,2,0,0,0,0|1,0,1]=4 1240 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000076356_100000211773 [0,2,0,0,0,0|1,0,1]=4 1241 B14R1.148 CC(=O)OCSCc1cccc(c1)Br 62a_100000211773_100000076356 [0,2,0,0,0,0|1,0,1]=4 1242 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000076356_100000211840 [0,2,0,0,0,0|1,0,1]=4 1243 B14R1.148 CC(=O)OCSCc1cccc(c1)C 62a_100000211840_100000076356 [0,2,0,0,0,0|1,0,1]=4 1244 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000076356_100000187163 [0,2,0,0,0,0|1,0,1]=4 1245 B14R1.148 CC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_100000076356 [0,2,0,0,0,0|1,0,1]=4 1246 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000076356_100000230114 [0,2,0,0,0,0|1,0,1]=4 1247 B14R1.148 CC(=O)OCSCc1cccc(c1)F 62a_100000230114_100000076356 [0,2,0,0,0,0|1,0,1]=4 1248 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100000076356_100011218688 [0,2,0,0,0,0|1,0,1]=4 1249 B14R1.148 CC(=O)OCSCc1cccc(c1)I 62a_100011218688_100000076356 [0,2,0,0,0,0|1,0,1]=4 1250 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100000076356_100011660834 [0,2,0,0,0,0|1,0,1]=4 1251 B14R1.148 CC(=O)OCSCc1cccc(c1)O 62a_100011660834_100000076356 [0,2,0,0,0,0|1,0,1]=4 1252 B14R1.148 Cc1cccc(c1)NCCOC(=O)N 34a_100000188690_200011214921 [0,2,0,0,0,0|1,0,1]=4 1253 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 34a_100000210337_200011214921 [0,2,0,0,0,0|1,0,1]=4 1254 B14R1.148 Cc1cccc(c1)OCCOC(=O)N 7a_100000210337_200011214921 [0,2,0,0,0,0|1,0,1]=4 1255 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_100011215228_200011214921 [0,2,0,0,0,0|1,0,1]=4 1256 B14R1.148 Cc1cccc(c1)SCCOC(=O)N 62a_200011214921_100011215228 [0,2,0,0,0,0|1,0,1]=4 1257 B14R1.148 NC(=O)OCCNc1cccc(c1)Br 34a_100000210019_200011214921 [0,2,0,0,0,0|1,0,1]=4 1258 B14R1.148 NC(=O)OCCNc1cccc(c1)Cl 34a_100000185859_200011214921 [0,2,0,0,0,0|1,0,1]=4 1259 B14R1.148 NC(=O)OCCNc1cccc(c1)F 34a_100000210047_200011214921 [0,2,0,0,0,0|1,0,1]=4 1260 B14R1.148 NC(=O)OCCNc1cccc(c1)I 34a_100000211102_200011214921 [0,2,0,0,0,0|1,0,1]=4 1261 B14R1.148 NC(=O)OCCNc1cccc(c1)O 34a_100000210217_200011214921 [0,2,0,0,0,0|1,0,1]=4 1262 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 34a_100000210342_200011214921 [0,2,0,0,0,0|1,0,1]=4 1263 B14R1.148 NC(=O)OCCOc1cccc(c1)Br 7a_100000210342_200011214921 [0,2,0,0,0,0|1,0,1]=4 1264 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 34a_100000210295_200011214921 [0,2,0,0,0,0|1,0,1]=4 1265 B14R1.148 NC(=O)OCCOc1cccc(c1)Cl 7a_100000210295_200011214921 [0,2,0,0,0,0|1,0,1]=4 1266 B14R1.148 NC(=O)OCCOc1cccc(c1)F 34a_100000210426_200011214921 [0,2,0,0,0,0|1,0,1]=4 1267 B14R1.148 NC(=O)OCCOc1cccc(c1)F 7a_100000210426_200011214921 [0,2,0,0,0,0|1,0,1]=4 1268 B14R1.148 NC(=O)OCCOc1cccc(c1)I 34a_100000211634_200011214921 [0,2,0,0,0,0|1,0,1]=4 1269 B14R1.148 NC(=O)OCCOc1cccc(c1)I 7a_100000211634_200011214921 [0,2,0,0,0,0|1,0,1]=4 1270 B14R1.148 NC(=O)OCCOc1cccc(c1)N 34a_100000210217_200011214921 [0,2,0,0,0,0|1,0,1]=4 1271 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_100000691529_200011214921 [0,2,0,0,0,0|1,0,1]=4 1272 B14R1.148 NC(=O)OCCSc1cccc(c1)Br 62a_200011214921_100000691529 [0,2,0,0,0,0|1,0,1]=4 1273 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_100000699651_200011214921 [0,2,0,0,0,0|1,0,1]=4 1274 B14R1.148 NC(=O)OCCSc1cccc(c1)Cl 62a_200011214921_100000699651 [0,2,0,0,0,0|1,0,1]=4 1275 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_100000685547_200011214921 [0,2,0,0,0,0|1,0,1]=4 1276 B14R1.148 NC(=O)OCCSc1cccc(c1)F 62a_200011214921_100000685547 [0,2,0,0,0,0|1,0,1]=4 1277 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_100000210019_200011214921 [0,2,0,0,0,0|1,0,1]=4 1278 B14R1.148 NC(=O)OCCSc1cccc(c1)N 62a_200011214921_100000210019 [0,2,0,0,0,0|1,0,1]=4 1279 B14R1.148 NC(=O)OCCSc1cccc(c1)O 62a_200011214921_100000211634 [0,2,0,0,0,0|1,0,1]=4 1280 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_114929384022_200011214921 [0,2,0,0,0,0|1,0,1]=4 1281 B14R1.148 NC(=O)OCCSc1cccc(c1)[S] 62a_200011214921_114929384022 [0,2,0,0,0,0|1,0,1]=4 1282 B14R1.443 CCOC/C=C/c1cc(cc(c1)F)F 34a_200012000220_100000210202 [0,2,0,0,0,0|1,0,1]=4 1283 B14R1.443 CCOC/C=C/c1cc(cc(c1)F)F 7a_200012000220_100000210202 [0,2,0,0,0,0|1,0,1]=4 1284 B14R1.443 FCOC/C=C/c1cc(cc(c1)F)F 34a_200012000220_100015361967 [0,2,0,0,0,0|1,0,1]=4 1285 B14R1.443 FCOC/C=C/c1cc(cc(c1)F)F 7a_200012000220_100015361967 [0,2,0,0,0,0|1,0,1]=4 1286 B14R1.14 C=CCNCC=Cc1ccc(cc1)Br 270004a_100020586998_100016291818 [0,2,0,0,0,0|2,0,0]=4 1287 B14R1.14 C=CCNCC=Cc1ccc(cc1)C 270004a_100020586998_100016257026 [0,2,0,0,0,0|2,0,0]=4 1288 B14R1.14 C=CCNCC=Cc1ccc(cc1)Cl 270004a_100020586998_100102525842 [0,2,0,0,0,0|2,0,0]=4 1289 B14R1.14 C=CCNCC=Cc1ccc(cc1)F 270004a_100020586998_100016272083 [0,2,0,0,0,0|2,0,0]=4 1290 B14R1.14 Cc1ccc(cc1)C#CCOCC=O 34a_100000696136_200009817547 [0,2,0,0,0,0|0,0,2]=4 1291 B14R1.14 Cc1ccc(cc1)C#CCOCC=O 7a_100000696136_200015260668 [0,2,0,0,0,0|0,0,2]=4 1292 B14R1.14 Cc1ccc(cc1)CCCOCC=O 34a_100000189427_200009817547 [0,2,0,0,0,0|0,0,2]=4 1293 B14R1.14 Cc1ccc(cc1)CCCOCC=O 7a_100000189427_200015260668 [0,2,0,0,0,0|0,0,2]=4 1294 B14R1.14 Cc1ccc(cc1)OCCOCC=O 34a_100011219107_200009817547 [0,2,0,0,0,0|1,0,1]=4 1295 B14R1.14 Cc1ccc(cc1)OCCOCC=O 7a_100011219107_200015260668 [0,2,0,0,0,0|1,0,1]=4 1296 B14R1.14 Cc1ccc(cc1)SCCOCC=O 34a_200000230582_200009817547 [0,2,0,0,0,0|1,0,1]=4 1297 B14R1.14 Cc1ccc(cc1)SCCOCC=O 7a_200000230582_200015260668 [0,2,0,0,0,0|1,0,1]=4 1298 B14R1.14 Nc1ccc(cc1)OCCOCC=O 34a_100000754363_200009817547 [0,2,0,0,0,0|1,0,1]=4 1299 B14R1.14 O=CCOCC#Cc1ccc(cc1)Br 34a_100009814260_200009817547 [0,2,0,0,0,0|0,0,2]=4 1300 B14R1.14 O=CCOCC#Cc1ccc(cc1)Br 7a_100009814260_200015260668 [0,2,0,0,0,0|0,0,2]=4 1301 B14R1.14 O=CCOCC#Cc1ccc(cc1)F 34a_100011219116_200009817547 [0,2,0,0,0,0|0,0,2]=4 1302 B14R1.14 O=CCOCC#Cc1ccc(cc1)F 7a_100011219116_200015260668 [0,2,0,0,0,0|0,0,2]=4 1303 B14R1.14 O=CCOCCCc1ccc(cc1)Br 34a_100011709247_200009817547 [0,2,0,0,0,0|0,0,2]=4 1304 B14R1.14 O=CCOCCCc1ccc(cc1)Br 7a_100011709247_200015260668 [0,2,0,0,0,0|0,0,2]=4 1305 B14R1.14 O=CCOCCCc1ccc(cc1)Cl 34a_100011217485_200009817547 [0,2,0,0,0,0|0,0,2]=4 1306 B14R1.14 O=CCOCCCc1ccc(cc1)Cl 7a_100011217485_200015260668 [0,2,0,0,0,0|0,0,2]=4 1307 B14R1.14 O=CCOCCCc1ccc(cc1)F 34a_100000757351_200009817547 [0,2,0,0,0,0|0,0,2]=4 1308 B14R1.14 O=CCOCCCc1ccc(cc1)F 7a_100000757351_200015260668 [0,2,0,0,0,0|0,0,2]=4 1309 B14R1.14 O=CCOCCOc1ccc(cc1)Br 34a_100000686261_200009817547 [0,2,0,0,0,0|1,0,1]=4 1310 B14R1.14 O=CCOCCOc1ccc(cc1)Br 7a_100000686261_200015260668 [0,2,0,0,0,0|1,0,1]=4 1311 B14R1.14 O=CCOCCOc1ccc(cc1)Cl 34a_100000237962_200009817547 [0,2,0,0,0,0|1,0,1]=4 1312 B14R1.14 O=CCOCCOc1ccc(cc1)Cl 7a_100000237962_200015260668 [0,2,0,0,0,0|1,0,1]=4 1313 B14R1.14 O=CCOCCSc1ccc(cc1)Cl 34a_100000230527_200009817547 [0,2,0,0,0,0|1,0,1]=4 1314 B14R1.14 O=CCOCCSc1ccc(cc1)Cl 7a_100000230527_200015260668 [0,2,0,0,0,0|1,0,1]=4 1315 B14R1.14 O=CCOCCSc1ccc(cc1)F 34a_200000230679_200009817547 [0,2,0,0,0,0|1,0,1]=4 1316 B14R1.14 O=CCOCCSc1ccc(cc1)F 7a_200000230679_200015260668 [0,2,0,0,0,0|1,0,1]=4 1317 B14R1.19 C=COCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000039644 [0,2,0,0,0,0|1,0,1]=4 1318 B14R1.19 C=COCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000039644 [0,2,0,0,0,0|1,0,1]=4 1319 B14R1.19 C=COCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000039644 [0,2,0,0,0,0|1,0,1]=4 1320 B14R1.19 C=COCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000039644 [0,2,0,0,0,0|1,0,1]=4 1321 B14R1.19 C=COCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000039644 [0,2,0,0,0,0|1,0,1]=4 1322 B14R1.19 C=COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000039644 [0,2,0,0,0,0|1,0,1]=4 1323 B14R1.677 CC(=O)OCC=Cc1cc[n+](cc1)[O-] 271570a_200000047263_100000039755 [0,2,0,0,0,0|1,0,0]=3 1324 B14R1.677 CC(=O)OCC=Cc1ccc(=O)[nH]c1 271570a_200000047263_100000212171 [0,2,0,0,0,0|1,0,0]=3 1325 B14R1.677 CC(=O)OCC=Cc1ccc(=O)[nH]n1 271570a_200000047263_100009820020 [0,2,0,0,0,0|2,0,0]=4 1326 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)Br 271570a_200000047263_100000752885 [0,2,0,0,0,0|0,0,0]=2 1327 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)C 271570a_200000047263_100000186775 [0,2,0,0,0,0|0,0,0]=2 1328 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)Cl 271570a_200000047263_100000755918 [0,2,0,0,0,0|0,0,0]=2 1329 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)F 271570a_200000047263_100000211213 [0,2,0,0,0,0|0,0,0]=2 1330 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)N 271570a_200000047263_100000185761 [0,2,0,0,0,0|0,0,0]=2 1331 B14R1.677 CC(=O)OCC=Cc1ccc(cc1)O 271570a_200000047263_100000185759 [0,2,0,0,0,0|0,0,0]=2 1332 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)Br 271570a_200000047263_100000686858 [0,2,0,0,0,0|1,0,0]=3 1333 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)C 271570a_200000047263_100000754016 [0,2,0,0,0,0|1,0,0]=3 1334 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)Cl 271570a_200000047263_100011356976 [0,2,0,0,0,0|1,0,0]=3 1335 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)F 271570a_200000047263_100000744514 [0,2,0,0,0,0|1,0,0]=3 1336 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)N 271570a_200000047263_100000744251 [0,2,0,0,0,0|1,0,0]=3 1337 B14R1.677 CC(=O)OCC=Cc1ccc(cn1)O 271570a_200000047263_100000685995 [0,2,0,0,0,0|1,0,0]=3 1338 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)Br 271570a_200000047263_100009814638 [0,2,0,0,0,0|1,0,0]=3 1339 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)C 271570a_200000047263_100000751577 [0,2,0,0,0,0|1,0,0]=3 1340 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)Cl 271570a_200000047263_100000034144 [0,2,0,0,0,0|1,0,0]=3 1341 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)F 271570a_200000047263_100000748661 [0,2,0,0,0,0|1,0,0]=3 1342 B14R1.677 CC(=O)OCC=Cc1ccc(nc1)N 271570a_200000047263_100000187370 [0,2,0,0,0,0|1,0,0]=3 1343 B14R1.677 CC(=O)OCC=Cc1ccc(nn1)C 271570a_200000047263_100011450037 [0,2,0,0,0,0|2,0,0]=4 1344 B14R1.677 CC(=O)OCC=Cc1ccc(nn1)N 271570a_200000047263_100009816609 [0,2,0,0,0,0|2,0,0]=4 1345 B14R1.677 CC(=O)OCC=Cc1cnc(=O)[nH]c1 271570a_200000047263_102495366499 [0,2,0,0,0,0|2,0,0]=4 1346 B14R1.677 CC(=O)OCC=Cc1cnc(cn1)C 271570a_200000047263_100011999403 [0,2,0,0,0,0|2,0,0]=4 1347 B14R1.677 CC(=O)OCC=Cc1cnc(cn1)F 271570a_200000047263_100009856528 [0,2,0,0,0,0|2,0,0]=4 1348 B14R1.677 CC(=O)OCC=Cc1cnc(cn1)N 271570a_200000047263_100000761932 [0,2,0,0,0,0|2,0,0]=4 1349 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)Br 271570a_200000047263_200012349914 [0,2,0,0,0,0|2,0,0]=4 1350 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)C 271570a_200000047263_100000686985 [0,2,0,0,0,0|2,0,0]=4 1351 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)F 271570a_200000047263_100000685262 [0,2,0,0,0,0|2,0,0]=4 1352 B14R1.677 CC(=O)OCC=Cc1cnc(nc1)N 271570a_200000047263_100000760574 [0,2,0,0,0,0|2,0,0]=4 1353 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)Br 271570a_200000047263_100000690281 [0,2,0,0,0,0|2,0,0]=4 1354 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)C 271570a_200000047263_100011825175 [0,2,0,0,0,0|2,0,0]=4 1355 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)Cl 271570a_200000047263_100011356929 [0,2,0,0,0,0|2,0,0]=4 1356 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)F 271570a_200000047263_100000685220 [0,2,0,0,0,0|2,0,0]=4 1357 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)N 271570a_200000047263_100000068403 [0,2,0,0,0,0|2,0,0]=4 1358 B14R1.677 CC(=O)OCC=Cc1ncc(cn1)O 271570a_200000047263_100000730009 [0,2,0,0,0,0|2,0,0]=4 1359 B14R1.677 CC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_100009814007 [0,2,0,0,0,0|1,0,1]=4 1360 B14R1.677 CC(=O)OCCNc1ccc(cc1)C 34a_100000124888_100009814007 [0,2,0,0,0,0|1,0,1]=4 1361 B14R1.677 CC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_100009814007 [0,2,0,0,0,0|1,0,1]=4 1362 B14R1.677 CC(=O)OCCNc1ccc(cc1)F 34a_100000185862_100009814007 [0,2,0,0,0,0|1,0,1]=4 1363 B14R1.677 CC(=O)OCCNc1ccc(cc1)I 34a_100000185761_100009814007 [0,2,0,0,0,0|1,0,1]=4 1364 B14R1.677 CC(=O)OCCNc1ccc(cc1)O 34a_100000185829_100009814007 [0,2,0,0,0,0|1,0,1]=4 1365 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_100009814007 [0,2,0,0,0,0|1,0,1]=4 1366 B14R1.677 CC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_100009814007 [0,2,0,0,0,0|1,0,1]=4 1367 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 34a_100000210336_100009814007 [0,2,0,0,0,0|1,0,1]=4 1368 B14R1.677 CC(=O)OCCOc1ccc(cc1)C 7a_100000210336_100009814007 [0,2,0,0,0,0|1,0,1]=4 1369 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_100009814007 [0,2,0,0,0,0|1,0,1]=4 1370 B14R1.677 CC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_100009814007 [0,2,0,0,0,0|1,0,1]=4 1371 B14R1.677 CC(=O)OCCOc1ccc(cc1)F 34a_100000210339_100009814007 [0,2,0,0,0,0|1,0,1]=4 1372 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 34a_100000212066_100009814007 [0,2,0,0,0,0|1,0,1]=4 1373 B14R1.677 CC(=O)OCCOc1ccc(cc1)I 7a_100000212066_100009814007 [0,2,0,0,0,0|1,0,1]=4 1374 B14R1.677 CC(=O)OCCOc1ccc(cc1)N 34a_100000185829_100009814007 [0,2,0,0,0,0|1,0,1]=4 1375 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_100009814007 [0,2,0,0,0,0|1,0,1]=4 1376 B14R1.677 CC(=O)OCCSc1ccc(cc1)Br 62a_100009814007_100000752885 [0,2,0,0,0,0|1,0,1]=4 1377 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100000186775_100009814007 [0,2,0,0,0,0|1,0,1]=4 1378 B14R1.677 CC(=O)OCCSc1ccc(cc1)C 62a_100009814007_100000186775 [0,2,0,0,0,0|1,0,1]=4 1379 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_100009814007 [0,2,0,0,0,0|1,0,1]=4 1380 B14R1.677 CC(=O)OCCSc1ccc(cc1)Cl 62a_100009814007_100000755918 [0,2,0,0,0,0|1,0,1]=4 1381 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100000211213_100009814007 [0,2,0,0,0,0|1,0,1]=4 1382 B14R1.677 CC(=O)OCCSc1ccc(cc1)F 62a_100009814007_100000211213 [0,2,0,0,0,0|1,0,1]=4 1383 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100000185761_100009814007 [0,2,0,0,0,0|1,0,1]=4 1384 B14R1.677 CC(=O)OCCSc1ccc(cc1)N 62a_100009814007_100000185761 [0,2,0,0,0,0|1,0,1]=4 1385 B14R1.677 CC(=O)OCCSc1ccc(cc1)O 62a_100009814007_100000185759 [0,2,0,0,0,0|1,0,1]=4 1386 B14R1.677 CC(=O)OCNCc1ccc(cc1)Br 34a_100000174875_100009813279 [0,2,0,0,0,0|1,0,1]=4 1387 B14R1.677 CC(=O)OCNCc1ccc(cc1)C 34a_100000174908_100009813279 [0,2,0,0,0,0|1,0,1]=4 1388 B14R1.677 CC(=O)OCNCc1ccc(cc1)Cl 34a_100000174871_100009813279 [0,2,0,0,0,0|1,0,1]=4 1389 B14R1.677 CC(=O)OCNCc1ccc(cc1)F 34a_100000174882_100009813279 [0,2,0,0,0,0|1,0,1]=4 1390 B14R1.677 CC(=O)OCNCc1ccc(cc1)I 34a_100016989417_100009813279 [0,2,0,0,0,0|1,0,1]=4 1391 B14R1.677 CC(=O)OCNCc1ccc(cc1)O 34a_100000185549_100009813279 [0,2,0,0,0,0|1,0,1]=4 1392 B14R1.677 CC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_100009813279 [0,2,0,0,0,0|1,0,1]=4 1393 B14R1.677 CC(=O)OCOCc1ccc(cc1)C 34a_100011215236_100009813279 [0,2,0,0,0,0|1,0,1]=4 1394 B14R1.677 CC(=O)OCOCc1ccc(cc1)Cl 34a_100000211118_100009813279 [0,2,0,0,0,0|1,0,1]=4 1395 B14R1.677 CC(=O)OCOCc1ccc(cc1)F 34a_100000210977_100009813279 [0,2,0,0,0,0|1,0,1]=4 1396 B14R1.677 CC(=O)OCOCc1ccc(cc1)I 34a_100000690907_100009813279 [0,2,0,0,0,0|1,0,1]=4 1397 B14R1.677 CC(=O)OCOCc1ccc(cc1)N 34a_100011215238_100009813279 [0,2,0,0,0,0|1,0,1]=4 1398 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000076356_100000189115 [0,2,0,0,0,0|1,0,1]=4 1399 B14R1.677 CC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_100000076356 [0,2,0,0,0,0|1,0,1]=4 1400 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000076356_100000210814 [0,2,0,0,0,0|1,0,1]=4 1401 B14R1.677 CC(=O)OCSCc1ccc(cc1)C 62a_100000210814_100000076356 [0,2,0,0,0,0|1,0,1]=4 1402 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000076356_100000187161 [0,2,0,0,0,0|1,0,1]=4 1403 B14R1.677 CC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_100000076356 [0,2,0,0,0,0|1,0,1]=4 1404 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000076356_100000187164 [0,2,0,0,0,0|1,0,1]=4 1405 B14R1.677 CC(=O)OCSCc1ccc(cc1)F 62a_100000198546_100000076356 [0,2,0,0,0,0|1,0,1]=4 1406 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000076356_100000189116 [0,2,0,0,0,0|1,0,1]=4 1407 B14R1.677 CC(=O)OCSCc1ccc(cc1)I 62a_100000189116_100000076356 [0,2,0,0,0,0|1,0,1]=4 1408 B14R1.677 Cc1ccc(cc1)NCCOC(=O)N 34a_100000124888_200011214921 [0,2,0,0,0,0|1,0,1]=4 1409 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 34a_100000210336_200011214921 [0,2,0,0,0,0|1,0,1]=4 1410 B14R1.677 Cc1ccc(cc1)OCCOC(=O)N 7a_100000210336_200011214921 [0,2,0,0,0,0|1,0,1]=4 1411 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_100000186775_200011214921 [0,2,0,0,0,0|1,0,1]=4 1412 B14R1.677 Cc1ccc(cc1)SCCOC(=O)N 62a_200011214921_100000186775 [0,2,0,0,0,0|1,0,1]=4 1413 B14R1.677 NC(=O)OCCNc1ccc(cc1)Br 34a_100000210018_200011214921 [0,2,0,0,0,0|1,0,1]=4 1414 B14R1.677 NC(=O)OCCNc1ccc(cc1)Cl 34a_100000210052_200011214921 [0,2,0,0,0,0|1,0,1]=4 1415 B14R1.677 NC(=O)OCCNc1ccc(cc1)F 34a_100000185862_200011214921 [0,2,0,0,0,0|1,0,1]=4 1416 B14R1.677 NC(=O)OCCNc1ccc(cc1)I 34a_100000185761_200011214921 [0,2,0,0,0,0|1,0,1]=4 1417 B14R1.677 NC(=O)OCCNc1ccc(cc1)O 34a_100000185829_200011214921 [0,2,0,0,0,0|1,0,1]=4 1418 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 34a_100000185759_200011214921 [0,2,0,0,0,0|1,0,1]=4 1419 B14R1.677 NC(=O)OCCOc1ccc(cc1)Br 7a_100000185759_200011214921 [0,2,0,0,0,0|1,0,1]=4 1420 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 34a_100000210216_200011214921 [0,2,0,0,0,0|1,0,1]=4 1421 B14R1.677 NC(=O)OCCOc1ccc(cc1)Cl 7a_100000210216_200011214921 [0,2,0,0,0,0|1,0,1]=4 1422 B14R1.677 NC(=O)OCCOc1ccc(cc1)F 34a_100000210339_200011214921 [0,2,0,0,0,0|1,0,1]=4 1423 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 34a_100000212066_200011214921 [0,2,0,0,0,0|1,0,1]=4 1424 B14R1.677 NC(=O)OCCOc1ccc(cc1)I 7a_100000212066_200011214921 [0,2,0,0,0,0|1,0,1]=4 1425 B14R1.677 NC(=O)OCCOc1ccc(cc1)N 34a_100000185829_200011214921 [0,2,0,0,0,0|1,0,1]=4 1426 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_100000752885_200011214921 [0,2,0,0,0,0|1,0,1]=4 1427 B14R1.677 NC(=O)OCCSc1ccc(cc1)Br 62a_200011214921_100000752885 [0,2,0,0,0,0|1,0,1]=4 1428 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_100000755918_200011214921 [0,2,0,0,0,0|1,0,1]=4 1429 B14R1.677 NC(=O)OCCSc1ccc(cc1)Cl 62a_200011214921_100000755918 [0,2,0,0,0,0|1,0,1]=4 1430 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_100000211213_200011214921 [0,2,0,0,0,0|1,0,1]=4 1431 B14R1.677 NC(=O)OCCSc1ccc(cc1)F 62a_200011214921_100000211213 [0,2,0,0,0,0|1,0,1]=4 1432 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_100000185761_200011214921 [0,2,0,0,0,0|1,0,1]=4 1433 B14R1.677 NC(=O)OCCSc1ccc(cc1)N 62a_200011214921_100000185761 [0,2,0,0,0,0|1,0,1]=4 1434 B14R1.677 NC(=O)OCCSc1ccc(cc1)O 62a_200011214921_100000185759 [0,2,0,0,0,0|1,0,1]=4 1435 B14R1.776 CCOC/C=C/c1ccc(cc1)OC 34a_200016269047_100000210202 [0,2,0,0,0,0|1,0,1]=4 1436 B14R1.776 COc1ccc(cc1)/C=C/COCF 34a_200016269047_100015361967 [0,2,0,0,0,0|1,0,1]=4 1437 B14R1.38 N[C@@H](CCOCC=O)c1ccccc1 34a_100025705951_200009817547 [0,2,0,0,0,0|0,0,2]=4 1438 B14R1.38 O=CCSCCC(=O)c1ccccc1 62a_100000750707_200015260668 [0,2,0,0,0,0|0,1,1]=4 1439 B14R1.38 O=CCSCCC(=O)c1ccccc1 62a_200015260668_100000750707 [0,2,0,0,0,0|0,1,1]=4 1440 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_100000073877_200015260668 [0,2,0,0,0,0|1,1,0]=4 1441 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_200015260668_100000073877 [0,2,0,0,0,0|1,1,0]=4 1442 B14R1.166 C=C(C(=O)C/C=C/C)c1ccccc1 1458a_100000065200_100102629194 [0,2,0,0,0,0|2,0,0]=4 1443 B14R1.166 C=C(C(=O)CC=CC)c1ccccc1 1458a_100000065200_100000070051 [0,2,0,0,0,0|2,0,0]=4 1444 B14R1.166 C=CCCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000754431 [0,2,0,0,0,0|2,0,0]=4 1445 B14R1.420 C=C(CCCC(=O)C)c1ccccc1 1458a_200009911520_200000210301 [0,2,0,0,0,0|1,0,1]=4 1446 B14R1.420 C=C(CCCC(=O)[13CH3])c1ccccc1 1458a_200009911520_200025704644 [0,2,0,0,0,0|1,0,1]=4 1447 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000070787_100000211006 [0,2,0,0,0,0|1,0,1]=4 1448 B14R1.420 CC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215641 [0,2,0,0,0,0|1,0,1]=4 1449 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000070787_200011215302 [0,2,0,0,0,0|2,0,0]=4 1450 B14R1.420 CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200000210301 [0,2,0,0,0,0|2,0,0]=4 1451 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 1458a_100000070787_100000184176 [0,2,0,0,0,0|2,0,0]=4 1452 B14R1.420 CC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_100000189650 [0,2,0,0,0,0|1,0,1]=4 1453 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [0,2,0,0,0,0|0,0,1]=3 1454 B14R1.420 CC(=O)OCCN(C)c1ccccc1 269982a_100000210012_100009814007 [0,2,0,0,0,0|1,0,1]=4 1455 B14R1.420 CC(=O)OCCN(C)c1ccccc1 34a_100000210012_100009814007 [0,2,0,0,0,0|1,0,1]=4 1456 B14R1.420 CC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_100009813279 [0,2,0,0,0,0|1,0,1]=4 1457 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000076356_100000230085 [0,2,0,0,0,0|1,0,1]=4 1458 B14R1.420 CC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000076356 [0,2,0,0,0,0|1,0,1]=4 1459 B14R1.420 CN(CCOC(=O)N)c1ccccc1 269982a_100000210012_200011214921 [0,2,0,0,0,0|1,0,1]=4 1460 B14R1.420 CN(CCOC(=O)N)c1ccccc1 34a_100000210012_200011214921 [0,2,0,0,0,0|1,0,1]=4 1461 B14R1.420 NC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100102525003 [0,2,0,0,0,0|1,0,1]=4 1462 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 11a_100000740010_100000185807 [0,2,0,0,0,0|2,0,0]=4 1463 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 240690a_100000740010_100000185807 [0,2,0,0,0,0|2,0,0]=4 1464 B14R1.420 NC(=O)CCNC(=O)c1ccccc1 527a_100000740010_100000185807 [0,2,0,0,0,0|2,0,0]=4 1465 B14R1.420 NC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_200000034859 [0,2,0,0,0,0|1,0,1]=4 1466 B14R1.420 NC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_200011214921 [0,2,0,0,0,0|0,0,1]=3 1467 B14R1.420 [13CH3]C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_200025704644 [0,2,0,0,0,0|2,0,0]=4 1468 B14R1.1035 C=COCCC(=O)c1ccccc1Br 1458a_100000188424_100000039644 [0,2,0,0,0,0|1,0,1]=4 1469 B14R1.1035 C=COCCC(=O)c1ccccc1C 1458a_100000212026_100000039644 [0,2,0,0,0,0|1,0,1]=4 1470 B14R1.1035 C=COCCC(=O)c1ccccc1Cl 1458a_100000185844_100000039644 [0,2,0,0,0,0|1,0,1]=4 1471 B14R1.1035 C=COCCC(=O)c1ccccc1F 1458a_100000188656_100000039644 [0,2,0,0,0,0|1,0,1]=4 1472 B14R1.1035 C=COCCC(=O)c1ccccc1I 1458a_100000187884_100000039644 [0,2,0,0,0,0|1,0,1]=4 1473 B14R1.1035 C=COCCC(=O)c1ccccc1O 1458a_100015234032_100000039644 [0,2,0,0,0,0|1,0,1]=4 1474 B14R1.1035 C=COCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000039644 [0,2,0,0,0,0|1,0,1]=4 1475 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [0,2,0,0,0,0|1,0,1]=4 1476 B14R1.123 C#CCCOC/C=C/c1ccccc1 34a_100000210256_100000688953 [0,2,0,0,0,0|1,0,1]=4 1477 B14R1.123 C#CCCOC/C=C/c1ccccc1 34a_100011215631_100016265936 [0,2,0,0,0,0|1,0,1]=4 1478 B14R1.123 C/C=C/CNC/C=C/c1ccccc1 34a_100020603302_100102629194 [0,2,0,0,0,0|2,0,0]=4 1479 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100000210256_100102629194 [0,2,0,0,0,0|1,0,0]=3 1480 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100016270725_100016265936 [0,2,0,0,0,0|1,0,0]=3 1481 B14R1.123 C/C=C/COC/C=C/c1cccnc1 34a_200102594124_100102629194 [0,2,0,0,0,0|2,0,0]=4 1482 B14R1.123 C/C=C/CSC/C=C/c1ccccc1 62a_100016265936_100102629194 [0,2,0,0,0,0|1,1,0]=4 1483 B14R1.123 C/C=C/CSC/C=C/c1ccccc1 62a_100102629194_100016265936 [0,2,0,0,0,0|1,1,0]=4 1484 B14R1.123 C=CCCNC/C=C/c1ccccc1 2230a_100015191253_100016265936 [0,2,0,0,0,0|2,0,0]=4 1485 B14R1.123 C=CCCNC/C=C/c1ccccc1 2230a_100020603302_100000754431 [0,2,0,0,0,0|2,0,0]=4 1486 B14R1.123 C=CCCNC/C=C/c1ccccc1 34a_100020603302_100000754431 [0,2,0,0,0,0|2,0,0]=4 1487 B14R1.123 C=CCCNCC=Cc1ccccc1 270004a_100015191253_100000210105 [0,2,0,0,0,0|2,0,0]=4 1488 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100000210256_100000754431 [0,2,0,0,0,0|1,0,0]=3 1489 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100011205117_100016265936 [0,2,0,0,0,0|1,0,0]=3 1490 B14R1.123 C=CCCOC/C=C/c1cccnc1 34a_200102594124_100000754431 [0,2,0,0,0,0|2,0,0]=4 1491 B14R1.123 C=CCCSC/C=C/c1ccccc1 62a_100000754431_100016265936 [0,2,0,0,0,0|1,1,0]=4 1492 B14R1.123 C=CCCSC/C=C/c1ccccc1 62a_100016265936_100000754431 [0,2,0,0,0,0|1,1,0]=4 1493 B14R1.123 CC#CCOC/C=C/c1ccccc1 34a_100000210256_100000748600 [0,2,0,0,0,0|1,0,1]=4 1494 B14R1.123 CC#CCOC/C=C/c1ccccc1 34a_100000761923_100016265936 [0,2,0,0,0,0|1,0,1]=4 1495 B14R1.123 CC=CCNC/C=C/c1ccccc1 2230a_100020603302_100000070051 [0,2,0,0,0,0|2,0,0]=4 1496 B14R1.123 CC=CCNC/C=C/c1ccccc1 34a_100020603302_100000070051 [0,2,0,0,0,0|2,0,0]=4 1497 B14R1.123 CC=CCOC/C=C/c1ccccc1 34a_100000210256_100000070051 [0,2,0,0,0,0|1,0,0]=3 1498 B14R1.123 CC=CCOC/C=C/c1cccnc1 34a_200102594124_100000070051 [0,2,0,0,0,0|2,0,0]=4 1499 B14R1.123 CC=CCSC/C=C/c1ccccc1 62a_100000070051_100016265936 [0,2,0,0,0,0|1,1,0]=4 1500 B14R1.123 CC=CCSC/C=C/c1ccccc1 62a_100016265936_100000070051 [0,2,0,0,0,0|1,1,0]=4 1501 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [0,2,0,0,0,0|1,0,1]=4 1502 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [0,2,0,0,0,0|1,0,1]=4 1503 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [0,2,0,0,0,0|1,0,1]=4 1504 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100000739092_100016265936 [0,2,0,0,0,0|1,0,1]=4 1505 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100016265936_100000739092 [0,2,0,0,0,0|1,0,1]=4 1506 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [0,2,0,0,0,0|0,0,2]=4 1507 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [0,2,0,0,0,0|0,0,2]=4 1508 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000210256_100000212216 [0,2,0,0,0,0|0,1,1]=4 1509 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000230434_100016265936 [0,2,0,0,0,0|0,1,1]=4 1510 B14R1.123 CSCCOC/C=C/c1ccccc1 7a_100000230434_100016265936 [0,2,0,0,0,0|0,1,1]=4 1511 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [0,2,0,0,0,0|1,0,1]=4 1512 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [0,2,0,0,0,0|1,0,1]=4 1513 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [0,2,0,0,0,0|1,0,1]=4 1514 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [0,2,0,0,0,0|1,0,1]=4 1515 B14R1.123 NOCCOC/C=C/c1ccccc1 34a_100000700252_100016265936 [0,2,0,0,0,0|0,0,2]=4 1516 B14R1.123 O=CCOCCC#Cc1ccccc1 34a_100000760064_200009817547 [0,2,0,0,0,0|0,0,2]=4 1517 B14R1.123 O=CCOCCC#Cc1ccccc1 7a_100000760064_200015260668 [0,2,0,0,0,0|0,0,2]=4 1518 B14R1.123 O=CCOCCCCc1ccccc1 34a_100000703073_200009817547 [0,2,0,0,0,0|0,0,2]=4 1519 B14R1.123 O=CCOCCCCc1ccccc1 7a_100000703073_200015260668 [0,2,0,0,0,0|0,0,2]=4 1520 B14R1.123 O=CCOCCCNc1ccccc1 34a_100000212590_200009817547 [0,2,0,0,0,0|0,0,2]=4 1521 B14R1.123 O=CCOCCCOc1ccccc1 34a_100011215863_200009817547 [0,2,0,0,0,0|0,0,2]=4 1522 B14R1.123 O=CCOCCCOc1ccccc1 7a_100011215863_200015260668 [0,2,0,0,0,0|0,0,2]=4 1523 B14R1.123 O=CCOCCNCc1ccccc1 34a_100000180844_200009817547 [0,2,0,0,0,0|0,0,2]=4 1524 B14R1.123 O=CCOCCOCc1ccccc1 34a_100000759325_200009817547 [0,2,0,0,0,0|0,0,2]=4 1525 B14R1.123 O=CCOCCOCc1ccccc1 7a_100000759325_200015260668 [0,2,0,0,0,0|0,0,2]=4 1526 B14R1.123 O=CCOCCSCc1ccccc1 34a_100011205989_200009817547 [0,2,0,0,0,0|0,0,2]=4 1527 B14R1.123 O=CCOCCSCc1ccccc1 7a_100011205989_200015260668 [0,2,0,0,0,0|0,0,2]=4 1528 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [0,2,0,0,0,0|0,0,2]=4 1529 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [0,2,0,0,0,0|2,0,0]=4 1530 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [0,2,0,0,0,0|2,0,0]=4 1531 B14R1.156 CC(C#Cc1ccccc1)OCC=O 34a_200000065209_200009817547 [0,2,0,0,0,0|0,0,2]=4 1532 B14R1.156 CC(C#Cc1ccccc1)OCC=O 7a_200000065209_200015260668 [0,2,0,0,0,0|0,0,2]=4 1533 B14R1.156 CC(COc1ccccc1)OCC=O 34a_100000210911_200009817547 [0,2,0,0,0,0|1,0,1]=4 1534 B14R1.156 CC(COc1ccccc1)OCC=O 7a_100000210911_200015260668 [0,2,0,0,0,0|1,0,1]=4 1535 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [0,2,0,0,0,0|2,0,0]=4 1536 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 34a_100009815974_200009817547 [0,2,0,0,0,0|0,0,2]=4 1537 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 7a_100009815974_200015260668 [0,2,0,0,0,0|0,0,2]=4 1538 B14R1.158 C#CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000184674 [0,2,0,0,0,0|1,0,1]=4 1539 B14R1.158 C#CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000038162 [0,2,0,0,0,0|1,0,1]=4 1540 B14R1.158 C/C(=C\c1ccccc1)/COCC#N 7a_200025717232_100011215382 [0,2,0,0,0,0|1,0,1]=4 1541 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 34a_200025717232_200009817547 [0,2,0,0,0,0|0,0,0]=2 1542 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 7a_200025717232_200015260668 [0,2,0,0,0,0|0,0,0]=2 1543 B14R1.158 C/C(=C\c1ccccc1)/COCCF 34a_200025717232_100011217306 [0,2,0,0,0,0|1,0,1]=4 1544 B14R1.158 C/C(=C\c1ccccc1)/COCCF 7a_200025717232_100011217306 [0,2,0,0,0,0|1,0,1]=4 1545 B14R1.158 C/C(=C\c1ccccc1)/COCCO 34a_200025717232_100000211926 [0,2,0,0,0,0|0,0,2]=4 1546 B14R1.158 C/C(=C\c1ccccc1)/COCCO 7a_200025717232_100000211926 [0,2,0,0,0,0|0,0,2]=4 1547 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100015514636 [0,2,0,0,0,0|1,0,0]=3 1548 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100015514636 [0,2,0,0,0,0|1,0,0]=3 1549 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_100000246334_100015514636 [0,2,0,0,0,0|2,0,0]=4 1550 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_200000210373_100000182850 [0,2,0,0,0,0|2,0,0]=4 1551 B14R1.158 C=CCOCC(=O)Oc1ccccc1 34a_200000210373_100009813826 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.158 CC(COCC=O)Cc1ccccc1 34a_100012125295_200009817547 [0,2,0,0,0,0|0,0,2]=4 1553 B14R1.158 CC(COCC=O)Cc1ccccc1 7a_100012125295_200015260668 [0,2,0,0,0,0|0,0,2]=4 1554 B14R1.158 CC(COCC=O)Oc1ccccc1 34a_200000036796_200009817547 [0,2,0,0,0,0|1,0,1]=4 1555 B14R1.158 CC(COCC=O)Oc1ccccc1 7a_200000036796_200015260668 [0,2,0,0,0,0|1,0,1]=4 1556 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210303 [0,2,0,0,0,0|1,0,1]=4 1557 B14R1.158 CCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210303 [0,2,0,0,0,0|1,0,1]=4 1558 B14R1.158 CSCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011218213 [0,2,0,0,0,0|0,1,1]=4 1559 B14R1.158 NC(COCC=O)Cc1ccccc1 34a_100000739027_200009817547 [0,2,0,0,0,0|0,0,2]=4 1560 B14R1.158 O=CCOCC(=O)Nc1ccccc1 34a_100000246334_200009817547 [0,2,0,0,0,0|1,0,0]=3 1561 B14R1.158 O=CCSCC(=O)Cc1ccccc1 62a_100000233483_200015260668 [0,2,0,0,0,0|0,1,1]=4 1562 B14R1.158 O=CCSCC(=O)Cc1ccccc1 62a_200015260668_100000233483 [0,2,0,0,0,0|0,1,1]=4 1563 B14R1.158 O=CCSCC(=O)Nc1ccccc1 62a_100012148978_200015260668 [0,2,0,0,0,0|1,1,0]=4 1564 B14R1.158 O=CCSCC(=O)Nc1ccccc1 62a_200015260668_100000182850 [0,2,0,0,0,0|1,1,0]=4 1565 B14R1.158 O=CCSCC(=O)Oc1ccccc1 62a_100009813826_200015260668 [0,2,0,0,0,0|1,1,0]=4 1566 B14R1.158 O=CCSCC(=O)Oc1ccccc1 62a_200015260668_100009813826 [0,2,0,0,0,0|1,1,0]=4 1567 B14R1.422 C=C(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000748629 [0,2,0,0,0,0|2,0,0]=4 1568 B14R1.422 C=C(C)CNC/C=C/c1ccccc1 34a_100020603302_100000748629 [0,2,0,0,0,0|2,0,0]=4 1569 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210245_100016265936 [0,2,0,0,0,0|1,0,0]=3 1570 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210256_100000748629 [0,2,0,0,0,0|1,0,0]=3 1571 B14R1.422 C=C(C)COC/C=C/c1cccnc1 34a_200102594124_100000748629 [0,2,0,0,0,0|2,0,0]=4 1572 B14R1.422 C=C(C)CSC/C=C/c1ccccc1 62a_100000748629_100016265936 [0,2,0,0,0,0|1,1,0]=4 1573 B14R1.422 C=C(C)CSC/C=C/c1ccccc1 62a_100016265936_100000211660 [0,2,0,0,0,0|1,1,0]=4 1574 B14R1.422 C=C(F)CNC/C=C/c1ccccc1 2230a_100020603302_100009893438 [0,2,0,0,0,0|2,0,0]=4 1575 B14R1.422 C=C(F)CNC/C=C/c1ccccc1 34a_100020603302_100009893438 [0,2,0,0,0,0|2,0,0]=4 1576 B14R1.422 C=C(F)COC/C=C/c1ccccc1 34a_100000210256_100009893438 [0,2,0,0,0,0|1,0,0]=3 1577 B14R1.422 C=C(F)COC/C=C/c1ccccc1 34a_200010262243_100016265936 [0,2,0,0,0,0|1,0,0]=3 1578 B14R1.422 C=C(F)COC/C=C/c1cccnc1 34a_200102594124_100009893438 [0,2,0,0,0,0|2,0,0]=4 1579 B14R1.422 C=C(F)CSC/C=C/c1ccccc1 62a_100000042424_100016265936 [0,2,0,0,0,0|1,1,0]=4 1580 B14R1.422 C=C(F)CSC/C=C/c1ccccc1 62a_100016265936_100000042424 [0,2,0,0,0,0|1,1,0]=4 1581 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [0,2,0,0,0,0|0,0,0]=2 1582 B14R1.422 CC(=O)COCC#Cc1ccccc1 34a_100000211253_100011352542 [0,2,0,0,0,0|0,0,2]=4 1583 B14R1.422 CC(=O)COCCCc1ccccc1 34a_100000211253_100000211621 [0,2,0,0,0,0|0,0,2]=4 1584 B14R1.422 CC(=O)COCCOc1ccccc1 34a_100000211253_100000184471 [0,2,0,0,0,0|1,0,1]=4 1585 B14R1.422 CC(=O)COCCSc1ccccc1 34a_100000211253_100000246102 [0,2,0,0,0,0|1,0,1]=4 1586 B14R1.422 CC(=O)COCOCc1ccccc1 34a_100000211253_100000763385 [0,2,0,0,0,0|1,0,1]=4 1587 B14R1.422 CC(=O)COCSCc1ccccc1 34a_100000211253_200011217039 [0,2,0,0,0,0|1,0,1]=4 1588 B14R1.422 CC(=O)NN=CC=Cc1ccccc1 4a_100000189765_100000210105 [0,2,0,0,0,0|1,0,1]=4 1589 B14R1.422 CC(=O)OCCCNc1ccccc1 34a_100000106764_100000042594 [0,2,0,0,0,0|0,0,2]=4 1590 B14R1.422 CC(=O)OCCCOc1ccccc1 34a_100000210340_100000042594 [0,2,0,0,0,0|0,0,2]=4 1591 B14R1.422 CC(=O)OCCCOc1ccccc1 7a_100000210340_100000042594 [0,2,0,0,0,0|0,0,2]=4 1592 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000042594_100000041952 [0,2,0,0,0,0|0,0,2]=4 1593 B14R1.422 CC(=O)OCCCSc1ccccc1 62a_100000719477_100000042594 [0,2,0,0,0,0|0,0,2]=4 1594 B14R1.422 CC(=O)OCCNCc1ccccc1 34a_100015324214_100009814007 [0,2,0,0,0,0|0,0,2]=4 1595 B14R1.422 CC(=O)OCCOCc1ccccc1 34a_100000210790_100009814007 [0,2,0,0,0,0|0,0,2]=4 1596 B14R1.422 CC(=O)OCCOCc1ccccc1 7a_100000210790_100009814007 [0,2,0,0,0,0|0,0,2]=4 1597 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100000211182_100009814007 [0,2,0,0,0,0|0,0,2]=4 1598 B14R1.422 CC(=O)OCCSCc1ccccc1 62a_100009814007_100015291786 [0,2,0,0,0,0|0,0,2]=4 1599 B14R1.422 CC(=O)OCNCCc1ccccc1 34a_100000106460_100009813279 [0,2,0,0,0,0|0,0,2]=4 1600 B14R1.422 CC(=O)OCOCCc1ccccc1 34a_100000210268_100009813279 [0,2,0,0,0,0|0,0,2]=4 1601 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000076356_100011218657 [0,2,0,0,0,0|0,0,2]=4 1602 B14R1.422 CC(=O)OCSCCc1ccccc1 62a_100000765856_100000076356 [0,2,0,0,0,0|0,0,2]=4 1603 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100000076356_100011218342 [0,2,0,0,0,0|1,0,1]=4 1604 B14R1.422 CC(=O)OCSCSc1ccccc1 62a_100011218342_100000076356 [0,2,0,0,0,0|1,0,1]=4 1605 B14R1.422 CC(Br)COC/C=C/c1ccccc1 34a_100012180447_100016265936 [0,2,0,0,0,0|1,0,1]=4 1606 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210256_100000210624 [0,2,0,0,0,0|1,0,1]=4 1607 B14R1.422 CC(C)COC/C=C/c1ccccc1 34a_100000210257_100016265936 [0,2,0,0,0,0|1,0,1]=4 1608 B14R1.422 CC(F)COC/C=C/c1ccccc1 34a_100015925927_100016265936 [0,2,0,0,0,0|1,0,1]=4 1609 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [0,2,0,0,0,0|0,0,2]=4 1610 B14R1.422 C[C@@H](Cl)COC/C=C/c1ccccc1 34a_100016084084_100016265936 [0,2,0,0,0,0|1,0,1]=4 1611 B14R1.422 C[C@@H](N)COC/C=C/c1ccccc1 34a_100000737577_100016265936 [0,2,0,0,0,0|1,0,1]=4 1612 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [0,2,0,0,0,0|0,0,2]=4 1613 B14R1.422 FC(F)COC/C=C/c1ccccc1 34a_100000210256_100011934356 [0,2,0,0,0,0|1,0,1]=4 1614 B14R1.422 FC(F)COC/C=C/c1ccccc1 34a_100000743014_100016265936 [0,2,0,0,0,0|1,0,1]=4 1615 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100000711301_100016265936 [0,2,0,0,0,0|1,0,0]=3 1616 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 2230a_100020603302_100000747473 [0,2,0,0,0,0|1,0,0]=3 1617 B14R1.422 NC(=O)CNC/C=C/c1ccccc1 34a_100020603302_100000187820 [0,2,0,0,0,0|1,0,0]=3 1618 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [0,2,0,0,0,0|0,0,0]=2 1619 B14R1.422 NC(=O)COC/C=C/c1cccnc1 34a_200102594124_100000187820 [0,2,0,0,0,0|1,0,0]=3 1620 B14R1.422 NC(=O)COCC#Cc1ccccc1 34a_100011217464_100000187820 [0,2,0,0,0,0|0,0,2]=4 1621 B14R1.422 NC(=O)COCC#Cc1ccccc1 7a_100011217464_100000187820 [0,2,0,0,0,0|0,0,2]=4 1622 B14R1.422 NC(=O)COCCCc1ccccc1 34a_100000210828_100000187820 [0,2,0,0,0,0|0,0,2]=4 1623 B14R1.422 NC(=O)COCCCc1ccccc1 7a_100000210828_100000187820 [0,2,0,0,0,0|0,0,2]=4 1624 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000106764_100000076697 [0,2,0,0,0,0|1,0,1]=4 1625 B14R1.422 NC(=O)COCCNc1ccccc1 34a_100000211345_100000187820 [0,2,0,0,0,0|1,0,1]=4 1626 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210260_100000187820 [0,2,0,0,0,0|1,0,1]=4 1627 B14R1.422 NC(=O)COCCOc1ccccc1 34a_100000210340_100000076697 [0,2,0,0,0,0|1,0,1]=4 1628 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210260_100000187820 [0,2,0,0,0,0|1,0,1]=4 1629 B14R1.422 NC(=O)COCCOc1ccccc1 7a_100000210340_100000076697 [0,2,0,0,0,0|1,0,1]=4 1630 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000076697_100000041952 [0,2,0,0,0,0|1,0,1]=4 1631 B14R1.422 NC(=O)COCCSc1ccccc1 62a_100000719477_100000076697 [0,2,0,0,0,0|1,0,1]=4 1632 B14R1.422 NC(=O)COCCSc1ccccc1 7a_100000230494_100000187820 [0,2,0,0,0,0|1,0,1]=4 1633 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100000747473_100016265936 [0,2,0,0,0,0|0,1,0]=3 1634 B14R1.422 NC(=O)CSC/C=C/c1ccccc1 62a_100016265936_100000747473 [0,2,0,0,0,0|0,1,0]=3 1635 B14R1.422 NC(=O)OCCNCc1ccccc1 34a_100015324214_200011214921 [0,2,0,0,0,0|0,0,2]=4 1636 B14R1.422 NC(=O)OCCOCc1ccccc1 34a_100000210790_200011214921 [0,2,0,0,0,0|0,0,2]=4 1637 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000210790_200011214921 [0,2,0,0,0,0|0,0,2]=4 1638 B14R1.422 NC(=O)OCCOCc1ccccc1 7a_100000766696_100000211182 [0,2,0,0,0,0|0,0,2]=4 1639 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_100000211182_200011214921 [0,2,0,0,0,0|0,0,2]=4 1640 B14R1.422 NC(=O)OCCSCc1ccccc1 62a_200011214921_100015291786 [0,2,0,0,0,0|0,0,2]=4 1641 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,2,0,0,0,0|1,0,0]=3 1642 B14R1.422 O=C([O-])CNC/C=C/c1ccccc1 34a_100020603302_100020667443 [0,2,0,0,0,0|1,0,0]=3 1643 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [0,2,0,0,0,0|0,0,0]=2 1644 B14R1.422 O=C([O-])COC/C=C/c1cccnc1 34a_200102594124_100020667443 [0,2,0,0,0,0|1,0,0]=3 1645 B14R1.422 O=C([O-])COCC#Cc1ccccc1 34a_100011217464_100020667443 [0,2,0,0,0,0|0,0,2]=4 1646 B14R1.422 O=C([O-])COCCCc1ccccc1 34a_100000210828_100020667443 [0,2,0,0,0,0|0,0,2]=4 1647 B14R1.422 O=C([O-])COCCNc1ccccc1 34a_100000211345_100020667443 [0,2,0,0,0,0|1,0,1]=4 1648 B14R1.422 O=C([O-])COCCOc1ccccc1 34a_100000210260_100020667443 [0,2,0,0,0,0|1,0,1]=4 1649 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100016265936_100020667443 [0,2,0,0,0,0|0,1,0]=3 1650 B14R1.422 O=C([O-])CSC/C=C/c1ccccc1 62a_100020667443_100016265936 [0,2,0,0,0,0|0,1,0]=3 1651 B14R1.422 O=[N+]([O-])CNC/C=C/c1ccccc1 34a_100020603302_100000761209 [0,2,0,0,0,0|1,0,1]=4 1652 B14R1.422 O=[N+]([O-])COC/C=C/c1ccccc1 34a_100000210256_100000761209 [0,2,0,0,0,0|0,0,1]=3 1653 B14R1.422 O=[N+]([O-])COC/C=C/c1cccnc1 34a_200102594124_100000761209 [0,2,0,0,0,0|1,0,1]=4 1654 B14R1.422 O=[N+]([O-])CSC/C=C/c1ccccc1 62a_100016265936_100000761209 [0,2,0,0,0,0|0,1,1]=4 1655 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100000210193_100016265936 [0,2,0,0,0,0|2,0,0]=4 1656 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210623 [0,2,0,0,0,0|2,0,0]=4 1657 B14R1.520 C=CCN(C)C/C=C/c1ccccc1 2230a_100000225617_100016265936 [0,2,0,0,0,0|2,0,0]=4 1658 B14R1.520 C=CCN(C)C/C=C/c1ccccc1 269982a_100000225617_100016265936 [0,2,0,0,0,0|2,0,0]=4 1659 B14R1.520 C=CCN(C)CC=Cc1ccccc1 270004a_100000225617_100000210105 [0,2,0,0,0,0|2,0,0]=4 1660 B14R1.520 CC=CC(=O)C/C=C/c1ccccc1 1458a_100000210699_100016265936 [0,2,0,0,0,0|2,0,0]=4 1661 B14R1.520 O=C(C=CBr)C/C=C/c1ccccc1 1458a_100016273825_100016265936 [0,2,0,0,0,0|2,0,0]=4 1662 B14R1.520 O=C(C=CCl)C/C=C/c1ccccc1 1458a_200016279998_100016265936 [0,2,0,0,0,0|2,0,0]=4 1663 B14R1.520 O=C(C=CI)C/C=C/c1ccccc1 1458a_100016256311_100016265936 [0,2,0,0,0,0|2,0,0]=4 1664 B14R1.716 C#CC(C)OC/C=C/c1ccccc1 34a_100000210256_200000035995 [0,2,0,0,0,0|1,0,1]=4 1665 B14R1.716 C#C[C@@H](C)OC/C=C/c1ccccc1 34a_100009815206_100016265936 [0,2,0,0,0,0|1,0,1]=4 1666 B14R1.716 C#C[C@@H](C)OC/C=C/c1ccccc1 7a_100009815206_100016265936 [0,2,0,0,0,0|1,0,1]=4 1667 B14R1.716 C=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000185746 [0,2,0,0,0,0|1,0,0]=3 1668 B14R1.716 C=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_200121576911 [0,2,0,0,0,0|1,0,0]=3 1669 B14R1.716 C=CC(=O)OCCNc1ccccc1 34a_100000106764_100009813456 [0,2,0,0,0,0|1,0,1]=4 1670 B14R1.716 C=CC(=O)OCCOc1ccccc1 34a_100000210340_100009813456 [0,2,0,0,0,0|1,0,1]=4 1671 B14R1.716 C=CC(=O)OCCOc1ccccc1 7a_100000210340_100009813456 [0,2,0,0,0,0|1,0,1]=4 1672 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100000719477_100009813456 [0,2,0,0,0,0|1,0,1]=4 1673 B14R1.716 C=CC(=O)OCCSc1ccccc1 62a_100009813456_100000041952 [0,2,0,0,0,0|1,0,1]=4 1674 B14R1.716 C=CC(C)OC/C=C/c1ccccc1 34a_100000695699_100016265936 [0,2,0,0,0,0|1,0,0]=3 1675 B14R1.716 C=CC(C)SC/C=C/c1ccccc1 62a_100011215867_100016265936 [0,2,0,0,0,0|1,1,0]=4 1676 B14R1.716 CC(C#N)OC/C=C/c1ccccc1 34a_100011218135_100016265936 [0,2,0,0,0,0|1,0,1]=4 1677 B14R1.716 CC(CF)OC/C=C/c1ccccc1 34a_100016041109_100016265936 [0,2,0,0,0,0|1,0,1]=4 1678 B14R1.716 CC(CF)OC/C=C/c1ccccc1 7a_100016041109_100016265936 [0,2,0,0,0,0|1,0,1]=4 1679 B14R1.716 CC(CN)OC/C=C/c1ccccc1 34a_100000210904_100016265936 [0,2,0,0,0,0|1,0,1]=4 1680 B14R1.716 CC(CO)OC/C=C/c1ccccc1 34a_100000210256_100012180447 [0,2,0,0,0,0|0,0,2]=4 1681 B14R1.716 CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210202 [0,2,0,0,0,0|1,0,1]=4 1682 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210414 [0,2,0,0,0,0|1,0,0]=3 1683 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210414 [0,2,0,0,0,0|1,0,0]=3 1684 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210414 [0,2,0,0,0,0|1,0,0]=3 1685 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210414 [0,2,0,0,0,0|1,0,0]=3 1686 B14R1.716 CCC(C)OC/C=C/c1ccccc1 34a_100000210256_100011215416 [0,2,0,0,0,0|1,0,1]=4 1687 B14R1.716 CCC(C)OC/C=C/c1ccccc1 7a_100000210228_100016265936 [0,2,0,0,0,0|1,0,1]=4 1688 B14R1.716 CNC(=O)C=C/C=C/c1ccccc1 1626a_100102657272_100016289705 [0,2,0,0,0,0|1,0,1]=4 1689 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_106832991635 [0,2,0,0,0,0|1,0,0]=3 1690 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 2708a_100102657272_100020603302 [0,2,0,0,0,0|1,0,0]=3 1691 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100102657272 [0,2,0,0,0,0|1,0,0]=3 1692 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 273464a_100102657272_100020603302 [0,2,0,0,0,0|1,0,0]=3 1693 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100102657272 [0,2,0,0,0,0|1,0,0]=3 1694 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 512a_106832991638_100020603302 [0,2,0,0,0,0|1,0,0]=3 1695 B14R1.716 CNC(=O)OCCNc1ccccc1 34a_100000106764_200011997002 [0,2,0,0,0,0|1,0,1]=4 1696 B14R1.716 CNC(=O)OCCOc1ccccc1 34a_100000210340_200011997002 [0,2,0,0,0,0|1,0,1]=4 1697 B14R1.716 CNC(=O)OCCOc1ccccc1 7a_100000210340_200011997002 [0,2,0,0,0,0|1,0,1]=4 1698 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_100000719477_200011997002 [0,2,0,0,0,0|1,0,1]=4 1699 B14R1.716 CNC(=O)OCCSc1ccccc1 62a_200011997002_100000041952 [0,2,0,0,0,0|1,0,1]=4 1700 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,2,0,0,0,0|1,0,1]=4 1701 B14R1.716 O=C(C=C/C=C/c1ccccc1)CF 1458a_100016289705_100015361967 [0,2,0,0,0,0|1,0,1]=4 1702 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [0,2,0,0,0,0|1,0,0]=3 1703 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [0,2,0,0,0,0|1,0,0]=3 1704 B14R1.882 C=CCNCC=Cc1ccccc1Br 270004a_100020586998_200016268969 [0,2,0,0,0,0|2,0,0]=4 1705 B14R1.882 C=CCNCC=Cc1ccccc1Cl 270004a_100020586998_200102525841 [0,2,0,0,0,0|2,0,0]=4 1706 B14R1.882 C=CCNCC=Cc1ccccc1F 270004a_100020586998_200102525844 [0,2,0,0,0,0|2,0,0]=4 1707 B14R1.882 Cc1ccccc1C#CCOCC=O 34a_200011352491_200009817547 [0,2,0,0,0,0|0,0,2]=4 1708 B14R1.882 Cc1ccccc1C#CCOCC=O 7a_200011352491_200015260668 [0,2,0,0,0,0|0,0,2]=4 1709 B14R1.882 Cc1ccccc1NCCOCC=O 34a_100011233185_200009817547 [0,2,0,0,0,0|1,0,1]=4 1710 B14R1.882 Nc1ccccc1NCCOCC=O 34a_100000683943_200009817547 [0,2,0,0,0,0|1,0,1]=4 1711 B14R1.882 Nc1ccccc1OCCOCC=O 34a_100132302172_200009817547 [0,2,0,0,0,0|1,0,1]=4 1712 B14R1.882 O=CCOCC#Cc1ccccc1Br 34a_100009814404_200009817547 [0,2,0,0,0,0|0,0,2]=4 1713 B14R1.882 O=CCOCC#Cc1ccccc1Br 7a_100009814404_200015260668 [0,2,0,0,0,0|0,0,2]=4 1714 B14R1.882 O=CCOCC#Cc1ccccc1Cl 34a_100011219350_200009817547 [0,2,0,0,0,0|0,0,2]=4 1715 B14R1.882 O=CCOCC#Cc1ccccc1Cl 7a_100011219350_200015260668 [0,2,0,0,0,0|0,0,2]=4 1716 B14R1.882 O=CCOCC#Cc1ccccc1F 34a_100011219114_200009817547 [0,2,0,0,0,0|0,0,2]=4 1717 B14R1.882 O=CCOCC#Cc1ccccc1F 7a_100011219114_200015260668 [0,2,0,0,0,0|0,0,2]=4 1718 B14R1.882 O=CCOCCCc1ccccc1Br 34a_100000699526_200009817547 [0,2,0,0,0,0|0,0,2]=4 1719 B14R1.882 O=CCOCCCc1ccccc1Br 7a_100000699526_200015260668 [0,2,0,0,0,0|0,0,2]=4 1720 B14R1.882 O=CCOCCCc1ccccc1Cl 34a_100011709251_200009817547 [0,2,0,0,0,0|0,0,2]=4 1721 B14R1.882 O=CCOCCCc1ccccc1Cl 7a_100011709251_200015260668 [0,2,0,0,0,0|0,0,2]=4 1722 B14R1.882 O=CCOCCCc1ccccc1F 34a_100011709249_200009817547 [0,2,0,0,0,0|0,0,2]=4 1723 B14R1.882 O=CCOCCCc1ccccc1F 7a_100011709249_200015260668 [0,2,0,0,0,0|0,0,2]=4 1724 B14R1.882 O=CCOCCOc1ccccc1Br 34a_100000230753_200009817547 [0,2,0,0,0,0|1,0,1]=4 1725 B14R1.882 O=CCOCCOc1ccccc1Br 7a_100000230753_200015260668 [0,2,0,0,0,0|1,0,1]=4 1726 B14R1.882 O=CCOCCOc1ccccc1Cl 34a_200000230518_200009817547 [0,2,0,0,0,0|1,0,1]=4 1727 B14R1.882 O=CCOCCOc1ccccc1Cl 7a_200000230518_200015260668 [0,2,0,0,0,0|1,0,1]=4 1728 B14R1.882 O=CCOCCOc1ccccc1F 34a_100000756447_200009817547 [0,2,0,0,0,0|1,0,1]=4 1729 B14R1.882 O=CCOCCOc1ccccc1F 7a_100000756447_200015260668 [0,2,0,0,0,0|1,0,1]=4 1730 B14R1.882 O=CCOCCSc1ccccc1Br 34a_200000230852_200009817547 [0,2,0,0,0,0|1,0,1]=4 1731 B14R1.882 O=CCOCCSc1ccccc1Br 7a_200000230852_200015260668 [0,2,0,0,0,0|1,0,1]=4 1732 B14R1.882 O=CCOCCSc1ccccc1Cl 34a_200000230572_200009817547 [0,2,0,0,0,0|1,0,1]=4 1733 B14R1.882 O=CCOCCSc1ccccc1Cl 7a_200000230572_200015260668 [0,2,0,0,0,0|1,0,1]=4 1734 B14R1.882 O=CCOCCSc1ccccc1F 34a_200000230732_200009817547 [0,2,0,0,0,0|1,0,1]=4 1735 B14R1.882 O=CCOCCSc1ccccc1F 7a_200000230732_200015260668 [0,2,0,0,0,0|1,0,1]=4 1736 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100000211182_100009818208 [0,2,0,0,0,0|1,0,1]=4 1737 B14R1.818 CC(=O)OC(C)SCc1ccccc1 62a_100009818208_100015291786 [0,2,0,0,0,0|1,0,1]=4 1738 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,2,0,0,0,0|1,0,1]=4 1739 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,2,0,0,0,0|1,0,1]=4 1740 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 34a_200025717232_100000210206 [0,2,0,0,0,0|1,0,1]=4 1741 B14R1.423 C/C(=C\c1ccccc1)/COC(C)C 7a_200025717232_100000210206 [0,2,0,0,0,0|1,0,1]=4 1742 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000070787_100000242058 [0,2,0,0,0,0|2,0,0]=4 1743 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200000210301 [0,2,0,0,0,0|2,0,0]=4 1744 B14R1.423 CC(=O)CCC(=O)Oc1ccccc1 1458a_100000070787_200000035796 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.423 CC(=O)NCC(=O)Cc1ccccc1 1458a_100000194580_100015291786 [0,2,0,0,0,0|1,0,1]=4 1746 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000194580 [0,2,0,0,0,0|2,0,0]=4 1747 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100015343762 [0,2,0,0,0,0|2,0,0]=4 1748 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000194580 [0,2,0,0,0,0|2,0,0]=4 1749 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100015343762 [0,2,0,0,0,0|2,0,0]=4 1750 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000194580 [0,2,0,0,0,0|2,0,0]=4 1751 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100015343762 [0,2,0,0,0,0|2,0,0]=4 1752 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000194580 [0,2,0,0,0,0|2,0,0]=4 1753 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100103153847 [0,2,0,0,0,0|2,0,0]=4 1754 B14R1.423 CC(=O)OCC(=O)Cc1ccccc1 1458a_100000183556_100015291786 [0,2,0,0,0,0|0,0,1]=3 1755 B14R1.423 CC(=O)OCC(=O)Cc1ccccn1 1458a_100000183556_100000721315 [0,2,0,0,0,0|1,0,1]=4 1756 B14R1.423 CC(=O)OCC(=O)Cc1cccnc1 1458a_100000183556_100000733263 [0,2,0,0,0,0|1,0,1]=4 1757 B14R1.423 CC(=O)OCC(=O)Cc1ccncc1 1458a_100000183556_100000705612 [0,2,0,0,0,0|1,0,1]=4 1758 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 1626a_100000106764_100000183556 [0,2,0,0,0,0|1,0,0]=3 1759 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 22a_100000106764_100000183556 [0,2,0,0,0,0|1,0,0]=3 1760 B14R1.423 CC(=O)OCC(=O)Nc1ccccc1 527a_100000106764_100000183556 [0,2,0,0,0,0|1,0,0]=3 1761 B14R1.423 CC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_100000076356 [0,2,0,0,0,0|1,0,1]=4 1762 B14R1.423 CC(=O)SCC(=O)Cc1ccccc1 1458a_100000049016_100015291786 [0,2,0,0,0,0|0,1,1]=4 1763 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 11a_100000106764_100000049016 [0,2,0,0,0,0|1,1,0]=4 1764 B14R1.423 CC(=O)SCC(=O)Nc1ccccc1 1626a_100000106764_100000049016 [0,2,0,0,0,0|1,1,0]=4 1765 B14R1.423 NC(=O)CCC(=O)Cc1ccccc1 1458a_100011215257_100015291786 [0,2,0,0,0,0|1,0,1]=4 1766 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100011215257 [0,2,0,0,0,0|2,0,0]=4 1767 B14R1.423 NC(=O)CCC(=O)Nc1ccccc1 527a_100000106764_100011215257 [0,2,0,0,0,0|2,0,0]=4 1768 B14R1.423 NC(=O)NCC(=O)Cc1ccccc1 1458a_100000184981_100015291786 [0,2,0,0,0,0|1,0,1]=4 1769 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000184981 [0,2,0,0,0,0|2,0,0]=4 1770 B14R1.423 NC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000184981 [0,2,0,0,0,0|2,0,0]=4 1771 B14R1.423 [13CH3]C(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_200025704644 [0,2,0,0,0,0|2,0,0]=4 1772 B14R1.159 CC(=O)OCC=Cc1c[nH]ccc1=O 271570a_200000047263_100009998708 [0,2,0,0,0,0|1,0,0]=3 1773 B14R1.159 CC(=O)OCC=Cc1c[nH]ccc1=S 271570a_200000047263_200012280681 [0,2,0,0,0,0|1,0,0]=3 1774 B14R1.159 CC(=O)OCC=Cc1ccc[nH]c1=O 271570a_200000047263_100000050042 [0,2,0,0,0,0|1,0,0]=3 1775 B14R1.159 CC(=O)OCC=Cc1cccc[n+]1C 271570a_200000047263_100000212160 [0,2,0,0,0,0|1,0,0]=3 1776 B14R1.159 CC(=O)OCC=Cc1cccc[n+]1[O-] 271570a_200000047263_200000042595 [0,2,0,0,0,0|1,0,0]=3 1777 B14R1.159 CC(=O)OCC=Cc1ccccc1Br 271570a_200000047263_100000695589 [0,2,0,0,0,0|0,0,0]=2 1778 B14R1.159 CC(=O)OCC=Cc1ccccc1C 271570a_200000047263_100000210755 [0,2,0,0,0,0|0,0,0]=2 1779 B14R1.159 CC(=O)OCC=Cc1ccccc1Cl 271570a_200000047263_100000764095 [0,2,0,0,0,0|0,0,0]=2 1780 B14R1.159 CC(=O)OCC=Cc1ccccc1F 271570a_200000047263_100011215700 [0,2,0,0,0,0|0,0,0]=2 1781 B14R1.159 CC(=O)OCC=Cc1ccccc1N 271570a_200000047263_100000210017 [0,2,0,0,0,0|0,0,0]=2 1782 B14R1.159 CC(=O)OCC=Cc1ccccc1O 271570a_200000047263_100000739446 [0,2,0,0,0,0|0,0,0]=2 1783 B14R1.159 CC(=O)OCC=Cc1cccnc1Br 271570a_200000047263_100010202626 [0,2,0,0,0,0|1,0,0]=3 1784 B14R1.159 CC(=O)OCC=Cc1cccnc1C 271570a_200000047263_100000751574 [0,2,0,0,0,0|1,0,0]=3 1785 B14R1.159 CC(=O)OCC=Cc1cccnc1Cl 271570a_200000047263_100000036424 [0,2,0,0,0,0|1,0,0]=3 1786 B14R1.159 CC(=O)OCC=Cc1cccnc1F 271570a_200000047263_100009816115 [0,2,0,0,0,0|1,0,0]=3 1787 B14R1.159 CC(=O)OCC=Cc1cccnc1N 271570a_200000047263_100000045569 [0,2,0,0,0,0|1,0,0]=3 1788 B14R1.159 CC(=O)OCC=Cc1ccn[nH]c1=O 271570a_200000047263_100000087129 [0,2,0,0,0,0|2,0,0]=4 1789 B14R1.159 CC(=O)OCC=Cc1ccncc1Br 271570a_200000047263_100000726257 [0,2,0,0,0,0|1,0,0]=3 1790 B14R1.159 CC(=O)OCC=Cc1ccncc1C 271570a_200000047263_100015191297 [0,2,0,0,0,0|1,0,0]=3 1791 B14R1.159 CC(=O)OCC=Cc1ccncc1Cl 271570a_200000047263_100000708259 [0,2,0,0,0,0|1,0,0]=3 1792 B14R1.159 CC(=O)OCC=Cc1ccncc1F 271570a_200000047263_100000047030 [0,2,0,0,0,0|1,0,0]=3 1793 B14R1.159 CC(=O)OCC=Cc1ccncc1N 271570a_200000047263_100009815883 [0,2,0,0,0,0|1,0,0]=3 1794 B14R1.159 CC(=O)OCC=Cc1ccncc1O 271570a_200000047263_100009817591 [0,2,0,0,0,0|1,0,0]=3 1795 B14R1.159 CC(=O)OCC=Cc1cnccc1Br 271570a_200000047263_100010138639 [0,2,0,0,0,0|1,0,0]=3 1796 B14R1.159 CC(=O)OCC=Cc1cnccc1C 271570a_200000047263_100000761580 [0,2,0,0,0,0|1,0,0]=3 1797 B14R1.159 CC(=O)OCC=Cc1cnccc1Cl 271570a_200000047263_100009995489 [0,2,0,0,0,0|1,0,0]=3 1798 B14R1.159 CC(=O)OCC=Cc1cnccc1F 271570a_200000047263_100009820683 [0,2,0,0,0,0|1,0,0]=3 1799 B14R1.159 CC(=O)OCC=Cc1cnccc1N 271570a_200000047263_100000047001 [0,2,0,0,0,0|1,0,0]=3 1800 B14R1.159 CC(=O)OCC=Cc1cncnc1Br 271570a_200000047263_200012461658 [0,2,0,0,0,0|2,0,0]=4 1801 B14R1.159 CC(=O)OCC=Cc1cncnc1C 271570a_200000047263_100009819671 [0,2,0,0,0,0|2,0,0]=4 1802 B14R1.159 CC(=O)OCC=Cc1cncnc1Cl 271570a_200000047263_100000758962 [0,2,0,0,0,0|2,0,0]=4 1803 B14R1.159 CC(=O)OCC=Cc1cncnc1N 271570a_200000047263_100011996079 [0,2,0,0,0,0|2,0,0]=4 1804 B14R1.159 CC(=O)OCC=Cc1cncnc1O 271570a_200000047263_100000751107 [0,2,0,0,0,0|2,0,0]=4 1805 B14R1.159 CC(=O)OCC=Cc1cnncc1N 271570a_200000047263_100009829405 [0,2,0,0,0,0|2,0,0]=4 1806 B14R1.159 CC(=O)OCC=Cc1ncc[nH]c1=O 271570a_200000047263_100000763361 [0,2,0,0,0,0|2,0,0]=4 1807 B14R1.159 CC(=O)OCC=Cc1ncccc1Br 271570a_200000047263_100000696092 [0,2,0,0,0,0|1,0,0]=3 1808 B14R1.159 CC(=O)OCC=Cc1ncccc1C 271570a_200000047263_100000751373 [0,2,0,0,0,0|1,0,0]=3 1809 B14R1.159 CC(=O)OCC=Cc1ncccc1Cl 271570a_200000047263_100011356963 [0,2,0,0,0,0|1,0,0]=3 1810 B14R1.159 CC(=O)OCC=Cc1ncccc1F 271570a_200000047263_100000685392 [0,2,0,0,0,0|1,0,0]=3 1811 B14R1.159 CC(=O)OCC=Cc1ncccc1N 271570a_200000047263_100000688686 [0,2,0,0,0,0|1,0,0]=3 1812 B14R1.159 CC(=O)OCC=Cc1ncccc1O 271570a_200000047263_100000034122 [0,2,0,0,0,0|1,0,0]=3 1813 B14R1.159 CC(=O)OCC=Cc1nccnc1C 271570a_200000047263_100011999405 [0,2,0,0,0,0|2,0,0]=4 1814 B14R1.159 CC(=O)OCC=Cc1nccnc1F 271570a_200000047263_200010125657 [0,2,0,0,0,0|2,0,0]=4 1815 B14R1.159 CC(=O)OCC=Cc1nccnc1N 271570a_200000047263_100000747729 [0,2,0,0,0,0|2,0,0]=4 1816 B14R1.159 CC(=O)OCC=Cc1ncncc1C 271570a_200000047263_100011998708 [0,2,0,0,0,0|2,0,0]=4 1817 B14R1.159 CC(=O)OCC=Cc1ncncc1F 271570a_200000047263_100000069762 [0,2,0,0,0,0|2,0,0]=4 1818 B14R1.159 CC(=O)OCC=Cc1ncncc1N 271570a_200000047263_100000709731 [0,2,0,0,0,0|2,0,0]=4 1819 B14R1.159 CC(=O)OCC=Cc1nnccc1C 271570a_200000047263_100000089043 [0,2,0,0,0,0|2,0,0]=4 1820 B14R1.159 CC(=O)OCCNc1ccccc1Br 34a_100000210017_100009814007 [0,2,0,0,0,0|1,0,1]=4 1821 B14R1.159 CC(=O)OCCNc1ccccc1C 34a_100015192222_100009814007 [0,2,0,0,0,0|1,0,1]=4 1822 B14R1.159 CC(=O)OCCNc1ccccc1Cl 34a_100000185783_100009814007 [0,2,0,0,0,0|1,0,1]=4 1823 B14R1.159 CC(=O)OCCNc1ccccc1F 34a_100000210422_100009814007 [0,2,0,0,0,0|1,0,1]=4 1824 B14R1.159 CC(=O)OCCNc1ccccc1I 34a_100000210053_100009814007 [0,2,0,0,0,0|1,0,1]=4 1825 B14R1.159 CC(=O)OCCNc1ccccc1O 34a_100000185747_100009814007 [0,2,0,0,0,0|1,0,1]=4 1826 B14R1.159 CC(=O)OCCOc1ccccc1Br 34a_100000181306_100009814007 [0,2,0,0,0,0|1,0,1]=4 1827 B14R1.159 CC(=O)OCCOc1ccccc1Br 7a_100000181306_100009814007 [0,2,0,0,0,0|1,0,1]=4 1828 B14R1.159 CC(=O)OCCOc1ccccc1C 34a_100000210338_100009814007 [0,2,0,0,0,0|1,0,1]=4 1829 B14R1.159 CC(=O)OCCOc1ccccc1C 7a_100000210338_100009814007 [0,2,0,0,0,0|1,0,1]=4 1830 B14R1.159 CC(=O)OCCOc1ccccc1Cl 34a_100000210172_100009814007 [0,2,0,0,0,0|1,0,1]=4 1831 B14R1.159 CC(=O)OCCOc1ccccc1Cl 7a_100000210172_100009814007 [0,2,0,0,0,0|1,0,1]=4 1832 B14R1.159 CC(=O)OCCOc1ccccc1F 34a_100000210171_100009814007 [0,2,0,0,0,0|1,0,1]=4 1833 B14R1.159 CC(=O)OCCOc1ccccc1F 7a_100000210171_100009814007 [0,2,0,0,0,0|1,0,1]=4 1834 B14R1.159 CC(=O)OCCOc1ccccc1I 34a_100000739446_100009814007 [0,2,0,0,0,0|1,0,1]=4 1835 B14R1.159 CC(=O)OCCOc1ccccc1I 7a_100000739446_100009814007 [0,2,0,0,0,0|1,0,1]=4 1836 B14R1.159 CC(=O)OCCOc1ccccc1N 34a_100000185747_100009814007 [0,2,0,0,0,0|1,0,1]=4 1837 B14R1.159 CC(=O)OCCOc1ccccc1N 7a_100000185747_100009814007 [0,2,0,0,0,0|1,0,1]=4 1838 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100000695589_100009814007 [0,2,0,0,0,0|1,0,1]=4 1839 B14R1.159 CC(=O)OCCSc1ccccc1Br 62a_100009814007_100000695589 [0,2,0,0,0,0|1,0,1]=4 1840 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100000210755_100009814007 [0,2,0,0,0,0|1,0,1]=4 1841 B14R1.159 CC(=O)OCCSc1ccccc1C 62a_100009814007_100000210755 [0,2,0,0,0,0|1,0,1]=4 1842 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100000764095_100009814007 [0,2,0,0,0,0|1,0,1]=4 1843 B14R1.159 CC(=O)OCCSc1ccccc1Cl 62a_100009814007_100000764095 [0,2,0,0,0,0|1,0,1]=4 1844 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100009814007_100011215700 [0,2,0,0,0,0|1,0,1]=4 1845 B14R1.159 CC(=O)OCCSc1ccccc1F 62a_100011215700_100009814007 [0,2,0,0,0,0|1,0,1]=4 1846 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100000210017_100009814007 [0,2,0,0,0,0|1,0,1]=4 1847 B14R1.159 CC(=O)OCCSc1ccccc1N 62a_100009814007_100000210017 [0,2,0,0,0,0|1,0,1]=4 1848 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100000739446_100009814007 [0,2,0,0,0,0|1,0,1]=4 1849 B14R1.159 CC(=O)OCCSc1ccccc1O 62a_100009814007_100000739446 [0,2,0,0,0,0|1,0,1]=4 1850 B14R1.159 CC(=O)OCNCc1ccccc1Br 34a_100000689332_100009813279 [0,2,0,0,0,0|1,0,1]=4 1851 B14R1.159 CC(=O)OCNCc1ccccc1C 34a_100000174972_100009813279 [0,2,0,0,0,0|1,0,1]=4 1852 B14R1.159 CC(=O)OCNCc1ccccc1Cl 34a_100000174879_100009813279 [0,2,0,0,0,0|1,0,1]=4 1853 B14R1.159 CC(=O)OCNCc1ccccc1F 34a_100000174869_100009813279 [0,2,0,0,0,0|1,0,1]=4 1854 B14R1.159 CC(=O)OCNCc1ccccc1O 34a_100000185550_100009813279 [0,2,0,0,0,0|1,0,1]=4 1855 B14R1.159 CC(=O)OCOCc1ccccc1Br 34a_100000756307_100009813279 [0,2,0,0,0,0|1,0,1]=4 1856 B14R1.159 CC(=O)OCOCc1ccccc1C 34a_100000698903_100009813279 [0,2,0,0,0,0|1,0,1]=4 1857 B14R1.159 CC(=O)OCOCc1ccccc1Cl 34a_100000210847_100009813279 [0,2,0,0,0,0|1,0,1]=4 1858 B14R1.159 CC(=O)OCOCc1ccccc1F 34a_100000211962_100009813279 [0,2,0,0,0,0|1,0,1]=4 1859 B14R1.159 CC(=O)OCOCc1ccccc1I 34a_100000187465_100009813279 [0,2,0,0,0,0|1,0,1]=4 1860 B14R1.159 CC(=O)OCOCc1ccccc1N 34a_100000212039_100009813279 [0,2,0,0,0,0|1,0,1]=4 1861 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000076356_100000184730 [0,2,0,0,0,0|1,0,1]=4 1862 B14R1.159 CC(=O)OCSCc1ccccc1Br 62a_100000184730_100000076356 [0,2,0,0,0,0|1,0,1]=4 1863 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000076356_100000211839 [0,2,0,0,0,0|1,0,1]=4 1864 B14R1.159 CC(=O)OCSCc1ccccc1C 62a_100000211839_100000076356 [0,2,0,0,0,0|1,0,1]=4 1865 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000076356_100000187162 [0,2,0,0,0,0|1,0,1]=4 1866 B14R1.159 CC(=O)OCSCc1ccccc1Cl 62a_100000187162_100000076356 [0,2,0,0,0,0|1,0,1]=4 1867 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000076356_100000211605 [0,2,0,0,0,0|1,0,1]=4 1868 B14R1.159 CC(=O)OCSCc1ccccc1F 62a_100000211605_100000076356 [0,2,0,0,0,0|1,0,1]=4 1869 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100000076356_100011216222 [0,2,0,0,0,0|1,0,1]=4 1870 B14R1.159 CC(=O)OCSCc1ccccc1I 62a_100011216222_100000076356 [0,2,0,0,0,0|1,0,1]=4 1871 B14R1.159 Cc1ccccc1NCCOC(=O)N 34a_100015192222_200011214921 [0,2,0,0,0,0|1,0,1]=4 1872 B14R1.159 Cc1ccccc1OCCOC(=O)N 34a_100000210338_200011214921 [0,2,0,0,0,0|1,0,1]=4 1873 B14R1.159 Cc1ccccc1OCCOC(=O)N 7a_100000210338_200011214921 [0,2,0,0,0,0|1,0,1]=4 1874 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_100000210755_200011214921 [0,2,0,0,0,0|1,0,1]=4 1875 B14R1.159 Cc1ccccc1SCCOC(=O)N 62a_200011214921_100000210755 [0,2,0,0,0,0|1,0,1]=4 1876 B14R1.159 NC(=O)OCCNc1ccccc1Br 34a_100000210017_200011214921 [0,2,0,0,0,0|1,0,1]=4 1877 B14R1.159 NC(=O)OCCNc1ccccc1Cl 34a_100000185783_200011214921 [0,2,0,0,0,0|1,0,1]=4 1878 B14R1.159 NC(=O)OCCNc1ccccc1F 34a_100000210422_200011214921 [0,2,0,0,0,0|1,0,1]=4 1879 B14R1.159 NC(=O)OCCNc1ccccc1I 34a_100000210053_200011214921 [0,2,0,0,0,0|1,0,1]=4 1880 B14R1.159 NC(=O)OCCNc1ccccc1O 34a_100000185747_200011214921 [0,2,0,0,0,0|1,0,1]=4 1881 B14R1.159 NC(=O)OCCOc1ccccc1Br 34a_100000181306_200011214921 [0,2,0,0,0,0|1,0,1]=4 1882 B14R1.159 NC(=O)OCCOc1ccccc1Br 7a_100000181306_200011214921 [0,2,0,0,0,0|1,0,1]=4 1883 B14R1.159 NC(=O)OCCOc1ccccc1Cl 34a_100000210172_200011214921 [0,2,0,0,0,0|1,0,1]=4 1884 B14R1.159 NC(=O)OCCOc1ccccc1Cl 7a_100000210172_200011214921 [0,2,0,0,0,0|1,0,1]=4 1885 B14R1.159 NC(=O)OCCOc1ccccc1F 34a_100000210171_200011214921 [0,2,0,0,0,0|1,0,1]=4 1886 B14R1.159 NC(=O)OCCOc1ccccc1F 7a_100000210171_200011214921 [0,2,0,0,0,0|1,0,1]=4 1887 B14R1.159 NC(=O)OCCOc1ccccc1I 34a_100000739446_200011214921 [0,2,0,0,0,0|1,0,1]=4 1888 B14R1.159 NC(=O)OCCOc1ccccc1I 7a_100000739446_200011214921 [0,2,0,0,0,0|1,0,1]=4 1889 B14R1.159 NC(=O)OCCOc1ccccc1N 34a_100000185747_200011214921 [0,2,0,0,0,0|1,0,1]=4 1890 B14R1.159 NC(=O)OCCOc1ccccc1N 7a_100000185747_200011214921 [0,2,0,0,0,0|1,0,1]=4 1891 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_100000695589_200011214921 [0,2,0,0,0,0|1,0,1]=4 1892 B14R1.159 NC(=O)OCCSc1ccccc1Br 62a_200011214921_100000695589 [0,2,0,0,0,0|1,0,1]=4 1893 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_100000764095_200011214921 [0,2,0,0,0,0|1,0,1]=4 1894 B14R1.159 NC(=O)OCCSc1ccccc1Cl 62a_200011214921_100000764095 [0,2,0,0,0,0|1,0,1]=4 1895 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_100011215700_200011214921 [0,2,0,0,0,0|1,0,1]=4 1896 B14R1.159 NC(=O)OCCSc1ccccc1F 62a_200011214921_100011215700 [0,2,0,0,0,0|1,0,1]=4 1897 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_100000210017_200011214921 [0,2,0,0,0,0|1,0,1]=4 1898 B14R1.159 NC(=O)OCCSc1ccccc1N 62a_200011214921_100000210017 [0,2,0,0,0,0|1,0,1]=4 1899 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_100000739446_200011214921 [0,2,0,0,0,0|1,0,1]=4 1900 B14R1.159 NC(=O)OCCSc1ccccc1O 62a_200011214921_100000739446 [0,2,0,0,0,0|1,0,1]=4 1901 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 34a_100000210256_100000210625 [0,2,0,0,0,0|1,0,1]=4 1902 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 34a_100015890283_100016265936 [0,2,0,0,0,0|1,0,1]=4 1903 B14R1.3331 CC(C)(C)OC/C=C/c1ccccc1 7a_100015890283_100016265936 [0,2,0,0,0,0|1,0,1]=4 1904 B14R1.3331 CS(=O)(=O)NC/C=C/c1ccccc1 40a_100020603302_100000738038 [0,2,0,0,0,0|2,0,0]=4 1905 B14R1.3331 FC(F)(F)OC/C=C/c1ccccc1 34a_100000210256_200103152311 [0,2,0,0,0,0|1,0,1]=4 1906 B14R1.6449 C=C(C)C(=O)C/C=C/c1ccccc1 1458a_100000185857_100016265936 [0,2,0,0,0,0|2,0,0]=4 1907 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,0,1,1,0,0|1,0,0]=3 1908 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,0,1,1,0,0|1,0,1]=4 1909 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,0,1,1,0,0|1,0,1]=4 1910 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,0,1,1,0,0|1,0,1]=4 1911 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [0,0,1,1,0,0|1,0,1]=4 1912 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [0,0,1,1,0,0|1,0,1]=4 1913 B12R1.121 C=Cc1ccccc1NCC=O 34a_100012022501_200009817547 [0,0,1,1,0,0|2,0,0]=4 1914 B12R1.121 C=Cc1ccccc1SCC=O 62a_100011218376_200015260668 [0,0,1,1,0,0|2,0,0]=4 1915 B12R1.121 C=Cc1ccccc1SCC=O 62a_200015260668_100011218376 [0,0,1,1,0,0|2,0,0]=4 1916 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,1,0,0|1,0,1]=4 1917 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [1,0,0,1,0,0|0,0,1]=3 1918 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [1,0,0,1,0,0|1,0,1]=4 1919 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [1,0,0,1,0,0|1,0,1]=4 1920 B12R2.2 C1=C(CCO1)c2ccncc2 271570a_100000118173_100000035832 [1,0,0,1,0,0|1,0,1]=4 1921 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [1,0,0,1,0,0|0,0,1]=3 1922 B12R2.2 C1=C(COC1)c2ccccn2 271570a_100009872500_100011216584 [1,0,0,1,0,0|1,0,1]=4 1923 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [1,0,0,1,0,0|1,0,1]=4 1924 B12R2.2 C1=C(COC1)c2ccncc2 271570a_100009872500_100000035832 [1,0,0,1,0,0|1,0,1]=4 1925 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100000752145_100011215275 [1,0,0,1,0,0|1,0,1]=4 1926 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100011218838_100000035832 [1,0,0,1,0,0|1,0,1]=4 1927 B12R2.2 c1cc(ccn1)c2cnoc2 271570a_100000752145_100009815712 [1,0,0,1,0,0|2,0,0]=4 1928 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [1,0,0,1,0,0|2,0,0]=4 1929 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [1,0,0,1,0,0|1,0,1]=4 1930 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [1,0,0,1,0,0|0,0,2]=4 1931 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [1,0,0,1,0,0|0,0,2]=4 1932 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [1,0,0,1,0,0|0,1,1]=4 1933 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [1,0,0,1,0,0|0,1,1]=4 1934 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [1,0,0,1,0,0|0,0,1]=3 1935 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [1,0,0,1,0,0|0,0,1]=3 1936 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [1,0,0,1,0,0|0,1,1]=4 1937 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [1,0,0,1,0,0|0,1,1]=4 1938 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [1,0,0,1,0,0|2,0,0]=4 1939 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [1,0,0,1,0,0|2,0,0]=4 1940 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [1,0,0,1,0,0|1,0,1]=4 1941 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [1,0,0,1,0,0|1,1,0]=4 1942 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [1,0,0,1,0,0|1,1,0]=4 1943 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [1,0,0,1,0,0|1,0,0]=3 1944 B12R2.2 c1ccc(cc1)c2cnsc2 271570a_100011218836_100009815736 [1,0,0,1,0,0|1,1,0]=4 1945 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [1,0,0,1,0,0|1,1,0]=4 1946 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011218838_100011216584 [1,0,0,1,0,0|1,0,1]=4 1947 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011264011_100011215275 [1,0,0,1,0,0|1,0,1]=4 1948 B12R2.2 c1ccc(nc1)c2cnoc2 271570a_100011264011_100009815712 [1,0,0,1,0,0|2,0,0]=4 1949 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100000757648_100011215275 [1,0,0,1,0,0|1,0,1]=4 1950 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100011218838_100000752921 [1,0,0,1,0,0|1,0,1]=4 1951 B12R2.2 c1cncc(c1)c2cnoc2 271570a_100000757648_100009815712 [1,0,0,1,0,0|2,0,0]=4 1952 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,1,0,0|0,0,2]=4 1953 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,1,0,0|1,0,1]=4 1954 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [1,0,0,1,0,0|1,0,1]=4 1955 B14R2.21 Brc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000691529 [0,1,0,1,0,0|1,0,1]=4 1956 B14R2.21 Cc1cccc(c1)C2=CCOCC2 271570a_100000070234_100011215228 [0,1,0,1,0,0|1,0,1]=4 1957 B14R2.21 Clc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000699651 [0,1,0,1,0,0|1,0,1]=4 1958 B14R2.21 Fc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000685547 [0,1,0,1,0,0|1,0,1]=4 1959 B14R2.21 Nc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000210019 [0,1,0,1,0,0|1,0,1]=4 1960 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,1,0,1,0,0|1,0,1]=4 1961 B14R2.21 O=c1cc(cc[nH]1)c2ccccc2 271570a_100011218836_100009816521 [0,1,0,1,0,0|1,0,1]=4 1962 B14R2.21 O=c1cc(cn[nH]1)c2ccccc2 271570a_100011218836_100010197405 [0,1,0,1,0,0|2,0,0]=4 1963 B14R2.21 O=c1cccc([nH]1)c2ccccc2 271570a_100011218836_100000761760 [0,1,0,1,0,0|1,0,1]=4 1964 B14R2.21 O=c1nc(cc[nH]1)c2ccccc2 271570a_100011218836_200000134032 [0,1,0,1,0,0|1,0,1]=4 1965 B14R2.21 Oc1cccc(c1)C2=CCOCC2 271570a_100000070234_100000211634 [0,1,0,1,0,0|1,0,1]=4 1966 B14R2.21 [S]c1cccc(c1)C2=CCOCC2 271570a_100000070234_114929384022 [0,1,0,1,0,0|1,0,1]=4 1967 B14R2.269 Cc1cccc(c1)c2ccoc2C 271570a_100000070625_100011215228 [0,1,0,1,0,0|1,0,1]=4 1968 B14R2.269 Cc1cccc(c1)c2cnoc2C 271570a_100000723675_100011215228 [0,1,0,1,0,0|2,0,0]=4 1969 B14R2.269 Cc1cccc(c1)c2cnoc2C 271570a_100000749446_100009872056 [0,1,0,1,0,0|2,0,0]=4 1970 B14R2.269 Cc1occc1c2cccc(c2)Br 271570a_100000070625_100000691529 [0,1,0,1,0,0|1,0,1]=4 1971 B14R2.269 Cc1occc1c2cccc(c2)Cl 271570a_100000070625_100000699651 [0,1,0,1,0,0|1,0,1]=4 1972 B14R2.269 Cc1occc1c2cccc(c2)F 271570a_100000070625_100000685547 [0,1,0,1,0,0|1,0,1]=4 1973 B14R2.269 Cc1occc1c2cccc(c2)N 271570a_100000070625_100000210019 [0,1,0,1,0,0|1,0,1]=4 1974 B14R2.269 Cc1occc1c2cccc(c2)O 271570a_100000070625_100000211634 [0,1,0,1,0,0|1,0,1]=4 1975 B14R2.269 Cc1occc1c2cccc(c2)[S] 271570a_100000070625_114929384022 [0,1,0,1,0,0|1,0,1]=4 1976 B14R2.269 Cc1oncc1c2cccc(c2)Br 271570a_100000723675_100000691529 [0,1,0,1,0,0|2,0,0]=4 1977 B14R2.269 Cc1oncc1c2cccc(c2)Cl 271570a_100000723675_100000699651 [0,1,0,1,0,0|2,0,0]=4 1978 B14R2.269 Cc1oncc1c2cccc(c2)Cl 271570a_100011214927_100009872056 [0,1,0,1,0,0|2,0,0]=4 1979 B14R2.269 Cc1oncc1c2cccc(c2)F 271570a_100000723675_100000685547 [0,1,0,1,0,0|2,0,0]=4 1980 B14R2.269 Cc1oncc1c2cccc(c2)F 271570a_100012349223_100009872056 [0,1,0,1,0,0|2,0,0]=4 1981 B14R2.269 Cc1oncc1c2cccc(c2)I 271570a_100000043368_100009872056 [0,1,0,1,0,0|2,0,0]=4 1982 B14R2.269 Cc1oncc1c2cccc(c2)N 271570a_100000699968_100009872056 [0,1,0,1,0,0|2,0,0]=4 1983 B14R2.269 Cc1oncc1c2cccc(c2)N 271570a_100000723675_100000210019 [0,1,0,1,0,0|2,0,0]=4 1984 B14R2.269 Cc1oncc1c2cccc(c2)O 271570a_100000693801_100009872056 [0,1,0,1,0,0|2,0,0]=4 1985 B14R2.269 Cc1oncc1c2cccc(c2)O 271570a_100000723675_100000211634 [0,1,0,1,0,0|2,0,0]=4 1986 B14R2.269 Cc1oncc1c2cccc(c2)[S] 271570a_100000723675_114929384022 [0,1,0,1,0,0|2,0,0]=4 1987 B14R2.68 Brc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000752885 [0,1,0,1,0,0|1,0,1]=4 1988 B14R2.68 Cc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000186775 [0,1,0,1,0,0|1,0,1]=4 1989 B14R2.68 Clc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000755918 [0,1,0,1,0,0|1,0,1]=4 1990 B14R2.68 Fc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000211213 [0,1,0,1,0,0|1,0,1]=4 1991 B14R2.68 Nc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000185761 [0,1,0,1,0,0|1,0,1]=4 1992 B14R2.68 Oc1ccc(cc1)C2=CCOCC2 271570a_100000070234_100000185759 [0,1,0,1,0,0|1,0,1]=4 1993 B14R2.926 Cc1ccc(cc1)c2ccoc2C 271570a_100000070625_100000186775 [0,1,0,1,0,0|1,0,1]=4 1994 B14R2.926 Cc1ccc(cc1)c2cnoc2C 271570a_100000708704_100009872056 [0,1,0,1,0,0|2,0,0]=4 1995 B14R2.926 Cc1ccc(cc1)c2cnoc2C 271570a_100000723675_100000186775 [0,1,0,1,0,0|2,0,0]=4 1996 B14R2.926 Cc1occc1c2ccc(cc2)Br 271570a_100000070625_100000752885 [0,1,0,1,0,0|1,0,1]=4 1997 B14R2.926 Cc1occc1c2ccc(cc2)Cl 271570a_100000070625_100000755918 [0,1,0,1,0,0|1,0,1]=4 1998 B14R2.926 Cc1occc1c2ccc(cc2)F 271570a_100000070625_100000211213 [0,1,0,1,0,0|1,0,1]=4 1999 B14R2.926 Cc1occc1c2ccc(cc2)N 271570a_100000070625_100000185761 [0,1,0,1,0,0|1,0,1]=4 2000 B14R2.926 Cc1occc1c2ccc(cc2)O 271570a_100000070625_100000185759 [0,1,0,1,0,0|1,0,1]=4 2001 B14R2.926 Cc1oncc1c2ccc(cc2)Br 271570a_100000723675_100000752885 [0,1,0,1,0,0|2,0,0]=4 2002 B14R2.926 Cc1oncc1c2ccc(cc2)Br 271570a_100010235827_100009872056 [0,1,0,1,0,0|2,0,0]=4 2003 B14R2.926 Cc1oncc1c2ccc(cc2)Cl 271570a_100000723675_100000755918 [0,1,0,1,0,0|2,0,0]=4 2004 B14R2.926 Cc1oncc1c2ccc(cc2)Cl 271570a_100011213355_100009872056 [0,1,0,1,0,0|2,0,0]=4 2005 B14R2.926 Cc1oncc1c2ccc(cc2)F 271570a_100000723675_100000211213 [0,1,0,1,0,0|2,0,0]=4 2006 B14R2.926 Cc1oncc1c2ccc(cc2)F 271570a_100011934326_100009872056 [0,1,0,1,0,0|2,0,0]=4 2007 B14R2.926 Cc1oncc1c2ccc(cc2)I 271570a_100000033156_100009872056 [0,1,0,1,0,0|2,0,0]=4 2008 B14R2.926 Cc1oncc1c2ccc(cc2)N 271570a_100000723675_100000185761 [0,1,0,1,0,0|2,0,0]=4 2009 B14R2.926 Cc1oncc1c2ccc(cc2)N 271570a_100015188457_100009872056 [0,1,0,1,0,0|2,0,0]=4 2010 B14R2.926 Cc1oncc1c2ccc(cc2)O 271570a_100000723675_100000185759 [0,1,0,1,0,0|2,0,0]=4 2011 B14R2.926 Cc1oncc1c2ccc(cc2)O 271570a_100015205159_100009872056 [0,1,0,1,0,0|2,0,0]=4 2012 B14R2.8 O=Cc1cc(co1)c2ccccc2 271570a_100000068347_100000210277 [0,1,0,1,0,0|2,0,0]=4 2013 B14R2.8 O=Cc1cc(co1)c2ccccc2 271570a_100011218836_100000747035 [0,1,0,1,0,0|2,0,0]=4 2014 B14R2.8 O=Cc1cc(cs1)c2ccccc2 271570a_100000067010_100000210277 [0,1,0,1,0,0|2,0,0]=4 2015 B14R2.8 O=Cc1cc(cs1)c2ccccc2 271570a_100011218836_100000211722 [0,1,0,1,0,0|2,0,0]=4 2016 B14R2.8 O=Cc1ccc(o1)c2ccccc2 271570a_100000034841_100000210277 [0,1,0,1,0,0|1,0,1]=4 2017 B14R2.8 O=Cc1ccc(o1)c2ccccc2 271570a_100011218836_100000185145 [0,1,0,1,0,0|1,0,1]=4 2018 B14R2.8 O=Cc1ccc(s1)c2ccccc2 271570a_100000033420_100000210277 [0,1,0,1,0,0|1,0,1]=4 2019 B14R2.8 O=Cc1ccc(s1)c2ccccc2 271570a_100011218836_100000179771 [0,1,0,1,0,0|1,0,1]=4 2020 B14R2.8 O=Cc1nc(cs1)c2ccccc2 271570a_100011218836_100009816814 [0,1,0,1,0,0|2,0,0]=4 2021 B14R2.8 O=Cc1ncc(s1)c2ccccc2 271570a_100011218836_100000699580 [0,1,0,1,0,0|2,0,0]=4 2022 B14R2.114 C=C(c1ccccc1)c2ccoc2 271570a_100000068269_100011215275 [0,1,0,1,0,0|1,0,1]=4 2023 B14R2.335 O=C1CCC1C(=O)c2ccccc2 1458a_100000185807_100009892977 [0,1,0,1,0,0|1,0,1]=4 2024 B14R2.1131 O=Cc1ccc(c2c1cccc2)O 271570a_203496583355_100012359940 [0,1,0,1,0,0|1,0,1]=4 2025 B14R2.16538 O=CCOCC1Cc2c1cccc2 34a_100012476685_200009817547 [0,1,0,1,0,0|0,0,2]=4 2026 B14R2.16538 O=CCOCC1Cc2c1cccc2 7a_100012476685_200015260668 [0,1,0,1,0,0|0,0,2]=4 2027 B14R2.3 CCOCc1csc2c1cccc2 34a_100011219454_100000210202 [0,1,0,1,0,0|1,0,1]=4 2028 B14R2.3 CCOCc1csc2c1cccc2 34a_100121572206_200000742921 [0,1,0,1,0,0|1,0,1]=4 2029 B14R2.3 FCOCc1csc2c1cccc2 34a_100011219454_100015361967 [0,1,0,1,0,0|1,0,1]=4 2030 B14R2.3 O=CCOC1CCc2c1cccc2 34a_100000212247_200009817547 [0,1,0,1,0,0|0,0,2]=4 2031 B14R2.3 O=CCOC1CCc2c1cccc2 7a_100000212247_200015260668 [0,1,0,1,0,0|0,0,2]=4 2032 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [0,1,0,1,0,0|1,0,1]=4 2033 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [0,1,0,1,0,0|1,0,1]=4 2034 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [0,1,0,1,0,0|2,0,0]=4 2035 B14R2.3 O=CCSc1csc2c1cccc2 62a_200015260668_100009813928 [0,1,0,1,0,0|2,0,0]=4 2036 B14R2.14 O=Cc1ccoc1c2ccccc2 271570a_200000039635_100000210277 [0,1,0,1,0,0|1,0,1]=4 2037 B14R2.14 O=Cc1ccsc1c2ccccc2 271570a_100000034323_100000210277 [0,1,0,1,0,0|1,0,1]=4 2038 B14R2.14 O=Cc1ccsc1c2ccccc2 271570a_100011218836_100009816921 [0,1,0,1,0,0|1,0,1]=4 2039 B14R2.14 O=Cc1cscc1c2ccccc2 271570a_100000077414_100000210277 [0,1,0,1,0,0|1,0,1]=4 2040 B14R2.14 O=Cc1cscc1c2ccccc2 271570a_100011218836_100000685484 [0,1,0,1,0,0|1,0,1]=4 2041 B14R2.14 O=Cc1occc1c2ccccc2 271570a_100011218836_100000756499 [0,1,0,1,0,0|0,0,1]=3 2042 B14R2.14 O=Cc1occc1c2ccccn2 271570a_100011264011_100000756499 [0,1,0,1,0,0|1,0,1]=4 2043 B14R2.14 O=Cc1occc1c2cccnc2 271570a_100000757648_100000756499 [0,1,0,1,0,0|1,0,1]=4 2044 B14R2.14 O=Cc1occc1c2ccncc2 271570a_100000752145_100000756499 [0,1,0,1,0,0|1,0,1]=4 2045 B14R2.14 O=Cc1sccc1c2ccccc2 271570a_100010083059_100000210277 [0,1,0,1,0,0|0,1,1]=4 2046 B14R2.14 O=Cc1sccc1c2ccccc2 271570a_100011218836_100000766043 [0,1,0,1,0,0|0,1,1]=4 2047 B14R2.24 Brc1ccccc1C2=CCOCC2 271570a_100000070234_100000695589 [0,1,0,1,0,0|1,0,1]=4 2048 B14R2.24 Cc1ccccc1C2=CCOCC2 271570a_100000070234_100000210755 [0,1,0,1,0,0|1,0,1]=4 2049 B14R2.24 Clc1ccccc1C2=CCOCC2 271570a_100000070234_100000764095 [0,1,0,1,0,0|1,0,1]=4 2050 B14R2.24 Fc1ccccc1C2=CCOCC2 271570a_100000070234_100011215700 [0,1,0,1,0,0|1,0,1]=4 2051 B14R2.24 Nc1ccccc1C2=CCOCC2 271570a_100000070234_100000210017 [0,1,0,1,0,0|1,0,1]=4 2052 B14R2.24 O=c1[nH]cccc1c2ccccc2 271570a_100000099769_100000210277 [0,1,0,1,0,0|1,0,1]=4 2053 B14R2.24 O=c1[nH]cccc1c2ccccc2 271570a_100011218836_100000050042 [0,1,0,1,0,0|1,0,1]=4 2054 B14R2.24 O=c1[nH]ccnc1c2ccccc2 271570a_100011218836_100000763361 [0,1,0,1,0,0|1,0,1]=4 2055 B14R2.24 O=c1[nH]nccc1c2ccccc2 271570a_100011218836_100000087129 [0,1,0,1,0,0|1,0,1]=4 2056 B14R2.24 O=c1cc[nH]cc1c2ccccc2 271570a_100011218836_100009998708 [0,1,0,1,0,0|1,0,1]=4 2057 B14R2.24 Oc1ccccc1C2=CCOCC2 271570a_100000070234_100000739446 [0,1,0,1,0,0|1,0,1]=4 2058 B14R2.30 Cc1oncc1Sc2ccccc2 62a_100000719477_100009872056 [0,1,0,1,0,0|2,0,0]=4 2059 B14R2.30 Cc1oncc1Sc2ccccc2 62a_100009872056_100000041952 [0,1,0,1,0,0|2,0,0]=4 2060 B14R2.30 O=C1OCCC1Nc2ccccc2 34a_100000106764_100000211211 [0,1,0,1,0,0|0,0,2]=4 2061 B14R2.30 O=C1OCCC1Oc2ccccc2 34a_100000210340_100000211211 [0,1,0,1,0,0|0,0,2]=4 2062 B14R2.30 O=C1OCCC1Oc2ccccc2 7a_100000210340_100000211211 [0,1,0,1,0,0|0,0,2]=4 2063 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000211211_100000041952 [0,1,0,1,0,0|0,0,2]=4 2064 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000719477_100000211211 [0,1,0,1,0,0|0,0,2]=4 2065 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,1,0,1,0,0|1,0,1]=4 2066 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [0,1,0,1,0,0|1,0,1]=4 2067 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,1,0,1,0,0|1,0,1]=4 2068 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [0,1,0,1,0,0|1,0,1]=4 2069 B14R2.3018 C(=C/c1ccccc1)\COC2CC2 34a_100000210256_100000211595 [0,1,0,1,0,0|1,0,1]=4 2070 B14R2.203 O=Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010090029 [0,1,0,1,0,0|1,0,1]=4 2071 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,1,0,1,0,0|1,0,1]=4 2072 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,1,0,1,0,0|1,0,1]=4 2073 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,1,0,1,0,0|1,0,1]=4 2074 B14R2.67 CCOCc1cc2ccccc2o1 34a_100000233474_100000210202 [0,1,0,1,0,0|1,0,1]=4 2075 B14R2.67 CCOCc1cc2ccccc2o1 7a_100000233474_100000210202 [0,1,0,1,0,0|1,0,1]=4 2076 B14R2.67 FCOCc1cc2ccccc2o1 34a_100000233474_100015361967 [0,1,0,1,0,0|1,0,1]=4 2077 B14R2.67 FCOCc1cc2ccccc2o1 7a_100000233474_100015361967 [0,1,0,1,0,0|1,0,1]=4 2078 B14R2.67 O=CCSc1cc2ccccc2[nH]1 62a_200015260668_100010232065 [0,1,0,1,0,0|2,0,0]=4 2079 B14R2.67 O=CCSc1cc2ccccc2o1 62a_200015260668_100010159458 [0,1,0,1,0,0|2,0,0]=4 2080 B14R2.67 O=CCSc1cc2ccccc2s1 62a_200015260668_100009816949 [0,1,0,1,0,0|2,0,0]=4 2081 B14R2.277 Cc1[nH][nH]c(=O)c1c2ccccc2 271570a_100011218836_100000686169 [0,1,0,1,0,0|2,0,0]=4 2082 B14R2.277 Cc1noc(c1c2ccccc2)C 271570a_100000067829_100000210277 [0,1,0,1,0,0|2,0,0]=4 2083 B14R2.277 Cc1noc(c1c2ccccc2)C 271570a_100011218836_100000694658 [0,1,0,1,0,0|2,0,0]=4 2084 B14R2.277 Cc1noc(c1c2ccccc2)N 271570a_100011218836_100000754107 [0,1,0,1,0,0|2,0,0]=4 2085 B14R2.277 Cc1onc(c1c2ccccc2)N 271570a_100011218836_100011216220 [0,1,0,1,0,0|2,0,0]=4 2086 B14R2.277 Cc1onc(c1c2ccccc2)O 271570a_100011218836_100010730664 [0,1,0,1,0,0|2,0,0]=4 2087 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [0,1,0,1,0,0|2,0,0]=4 2088 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [0,1,0,1,0,0|2,0,0]=4 2089 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [0,1,0,1,0,0|1,0,1]=4 2090 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [0,1,0,1,0,0|1,0,1]=4 2091 B14R2.296 Cc1ccccc1c2ccoc2C 271570a_100000070625_100000210755 [0,1,0,1,0,0|1,0,1]=4 2092 B14R2.296 Cc1ccccc1c2cnoc2C 271570a_100000723675_100000210755 [0,1,0,1,0,0|2,0,0]=4 2093 B14R2.296 Cc1ccccc1c2cnoc2C 271570a_100000747142_100009872056 [0,1,0,1,0,0|2,0,0]=4 2094 B14R2.296 Cc1occc1c2ccccc2Br 271570a_100000070625_100000695589 [0,1,0,1,0,0|1,0,1]=4 2095 B14R2.296 Cc1occc1c2ccccc2Cl 271570a_100000070625_100000764095 [0,1,0,1,0,0|1,0,1]=4 2096 B14R2.296 Cc1occc1c2ccccc2F 271570a_100000070625_100011215700 [0,1,0,1,0,0|1,0,1]=4 2097 B14R2.296 Cc1occc1c2ccccc2N 271570a_100000070625_100000210017 [0,1,0,1,0,0|1,0,1]=4 2098 B14R2.296 Cc1occc1c2ccccc2O 271570a_100000070625_100000739446 [0,1,0,1,0,0|1,0,1]=4 2099 B14R2.296 Cc1oncc1c2ccccc2Br 271570a_100000723675_100000695589 [0,1,0,1,0,0|2,0,0]=4 2100 B14R2.296 Cc1oncc1c2ccccc2Cl 271570a_100000723675_100000764095 [0,1,0,1,0,0|2,0,0]=4 2101 B14R2.296 Cc1oncc1c2ccccc2Cl 271570a_100011934419_100009872056 [0,1,0,1,0,0|2,0,0]=4 2102 B14R2.296 Cc1oncc1c2ccccc2F 271570a_100000723675_100011215700 [0,1,0,1,0,0|2,0,0]=4 2103 B14R2.296 Cc1oncc1c2ccccc2F 271570a_100000761933_100009872056 [0,1,0,1,0,0|2,0,0]=4 2104 B14R2.296 Cc1oncc1c2ccccc2I 271570a_100000069755_100009872056 [0,1,0,1,0,0|2,0,0]=4 2105 B14R2.296 Cc1oncc1c2ccccc2N 271570a_100000034411_100009872056 [0,1,0,1,0,0|2,0,0]=4 2106 B14R2.296 Cc1oncc1c2ccccc2N 271570a_100000723675_100000210017 [0,1,0,1,0,0|2,0,0]=4 2107 B14R2.296 Cc1oncc1c2ccccc2O 271570a_100000035170_100009872056 [0,1,0,1,0,0|2,0,0]=4 2108 B14R2.296 Cc1oncc1c2ccccc2O 271570a_100000723675_100000739446 [0,1,0,1,0,0|2,0,0]=4 2109 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,0,0,0,1,0|1,0,1]=4 2110 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [1,0,0,0,1,0|1,0,1]=4 2111 B10R1.21 COCC=Cc1ccoc1 271570a_100016286323_100011215275 [1,0,0,0,1,0|1,0,1]=4 2112 B10R1.21 COCC=Cc1ccsc1 271570a_100016286323_100000738268 [1,0,0,0,1,0|1,0,1]=4