0 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 C#CCSc1ccccn1 62a_100000038162_100011216584 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.17 C#CCSc1cccnc1 62a_100000038162_100000210063 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.17 C#CCSc1ccncc1 62a_100000038162_100000728582 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [0,0,0,0,0,0|1,0,0]=1 76 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [0,0,0,0,0,0|1,0,0]=1 77 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [0,0,0,0,0,0|1,0,0]=1 78 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [0,0,0,0,0,0|2,0,0]=2 106 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [0,0,0,0,0,0|4,0,0]=4 124 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [0,0,0,0,0,0|4,0,0]=4 125 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [0,0,0,0,0,0|3,0,0]=3 133 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [0,0,0,0,0,0|3,0,0]=3 134 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [0,0,0,0,0,0|4,0,0]=4 135 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [0,0,0,0,0,0|4,0,0]=4 136 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [0,0,0,0,0,0|4,0,0]=4 138 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [0,0,0,0,0,0|3,0,0]=3 142 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [0,0,0,0,0,0|3,0,0]=3 143 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [0,0,0,0,0,0|3,0,0]=3 145 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [0,0,0,0,0,0|4,0,0]=4 150 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [0,0,0,0,0,0|4,0,0]=4 151 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [0,0,0,0,0,0|2,0,1]=3 152 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [0,0,0,0,0,0|3,0,1]=4 153 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [0,0,0,0,0,0|2,0,1]=3 154 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [0,0,0,0,0,0|2,0,1]=3 155 B10R1.17 N#CCSc1ccccn1 62a_100011215382_100011216584 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.17 N#CCSc1ccccn1 62a_100011216584_100011215382 [0,0,0,0,0,0|3,0,1]=4 157 B10R1.17 N#CCSc1cccnc1 62a_100000210063_100011215382 [0,0,0,0,0,0|3,0,1]=4 158 B10R1.17 N#CCSc1cccnc1 62a_100011215382_100000210063 [0,0,0,0,0,0|3,0,1]=4 159 B10R1.17 N#CCSc1ccncc1 62a_100000728582_100011215382 [0,0,0,0,0,0|3,0,1]=4 160 B10R1.17 N#CCSc1ccncc1 62a_100011215382_100000728582 [0,0,0,0,0,0|3,0,1]=4 161 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [0,0,0,0,0,0|3,0,0]=3 162 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [0,0,0,0,0,0|3,0,0]=3 164 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [0,0,0,0,0,0|4,0,0]=4 165 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [0,0,0,0,0,0|4,0,0]=4 167 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [0,0,0,0,0,0|3,0,0]=3 169 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [0,0,0,0,0,0|4,0,0]=4 170 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [0,0,0,0,0,0|4,0,0]=4 172 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [0,0,0,0,0,0|4,0,0]=4 175 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [0,0,0,0,0,0|3,0,0]=3 176 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [0,0,0,0,0,0|3,0,0]=3 177 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [0,0,0,0,0,0|3,0,0]=3 178 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [0,0,0,0,0,0|4,0,0]=4 179 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [0,0,0,0,0,0|4,0,0]=4 180 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [0,0,0,0,0,0|4,0,0]=4 181 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [0,0,0,0,0,0|3,0,0]=3 182 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [0,0,0,0,0,0|3,0,0]=3 183 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [0,0,0,0,0,0|4,0,0]=4 184 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [0,0,0,0,0,0|4,0,0]=4 185 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [0,0,0,0,0,0|4,0,0]=4 186 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [0,0,0,0,0,0|4,0,0]=4 188 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [0,0,0,0,0,0|4,0,0]=4 189 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [0,0,0,0,0,0|1,0,0]=1 190 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [0,0,0,0,0,0|1,0,0]=1 191 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [0,0,0,0,0,0|2,0,0]=2 192 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [0,0,0,0,0,0|2,0,0]=2 193 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [0,0,0,0,0,0|2,0,0]=2 194 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [0,0,0,0,0,0|3,0,0]=3 195 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [0,0,0,0,0,0|3,0,0]=3 196 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [0,0,0,0,0,0|3,0,0]=3 197 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [0,0,0,0,0,0|4,0,0]=4 198 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [0,0,0,0,0,0|4,0,0]=4 199 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [0,0,0,0,0,0|2,0,0]=2 200 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [0,0,0,0,0,0|2,0,0]=2 201 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [0,0,0,0,0,0|3,0,0]=3 203 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [0,0,0,0,0,0|3,0,0]=3 204 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [0,0,0,0,0,0|3,0,0]=3 205 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [0,0,0,0,0,0|3,0,0]=3 206 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [0,0,0,0,0,0|3,0,0]=3 207 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [0,0,0,0,0,0|3,0,0]=3 208 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [0,0,0,0,0,0|3,0,0]=3 209 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|1,0,2]=4 210 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|1,0,2]=4 211 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,0,0,0,0,0|3,0,0]=4 217 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,0|1,0,0]=2 226 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,0|1,0,0]=2 227 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,0|1,0,0]=2 228 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,0|1,0,0]=2 229 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,0|1,0,0]=2 230 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,0|1,0,0]=2 232 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,0|2,0,0]=3 238 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,0|2,0,0]=3 265 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,0|2,0,0]=3 270 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,0,0,0,0,0|2,0,0]=3 277 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,0,0,0,0,0|2,0,0]=3 278 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,0,0,0,0,0|2,0,0]=3 283 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,0,0,0,0,0|2,0,0]=3 284 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [1,0,0,0,0,0|3,0,0]=4 290 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,0|1,0,0]=2 291 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,0|1,0,0]=2 292 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 295 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,0|2,0,0]=3 296 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,0|2,0,0]=3 297 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [0,1,0,0,0,0|1,0,0]=2 463 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [0,1,0,0,0,0|1,0,0]=2 466 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [0,1,0,0,0,0|1,0,0]=2 474 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [0,1,0,0,0,0|1,0,0]=2 476 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [0,1,0,0,0,0|1,0,0]=2 478 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [0,1,0,0,0,0|1,0,0]=2 479 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [0,1,0,0,0,0|1,0,0]=2 480 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [0,1,0,0,0,0|1,0,0]=2 482 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [0,1,0,0,0,0|1,0,0]=2 483 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [0,1,0,0,0,0|1,0,0]=2 484 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [0,1,0,0,0,0|1,0,0]=2 485 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [0,1,0,0,0,0|3,0,0]=4 514 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [0,1,0,0,0,0|3,0,0]=4 516 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [0,1,0,0,0,0|3,0,0]=4 517 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [0,1,0,0,0,0|3,0,0]=4 518 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 537 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [0,1,0,0,0,0|1,0,0]=2 555 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [0,1,0,0,0,0|1,0,0]=2 556 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [0,1,0,0,0,0|3,0,0]=4 574 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [0,1,0,0,0,0|3,0,0]=4 601 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [0,1,0,0,0,0|3,0,0]=4 608 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [0,1,0,0,0,0|3,0,0]=4 610 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [0,1,0,0,0,0|3,0,0]=4 618 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [0,1,0,0,0,0|3,0,0]=4 622 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [0,1,0,0,0,0|1,0,1]=3 623 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [0,1,0,0,0,0|2,0,1]=4 624 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [0,1,0,0,0,0|2,0,1]=4 625 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [0,1,0,0,0,0|2,0,1]=4 626 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [0,1,0,0,0,0|2,0,1]=4 627 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [0,1,0,0,0,0|2,0,1]=4 628 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [0,1,0,0,0,0|2,0,1]=4 630 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [0,1,0,0,0,0|2,0,1]=4 633 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [0,1,0,0,0,0|2,0,1]=4 634 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [0,1,0,0,0,0|2,0,1]=4 635 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [0,1,0,0,0,0|2,0,1]=4 639 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.1 NCCNc1ccc(cn1)O 271570a_203496583355_200011214600 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|3,0,0]=4 646 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [0,1,0,0,0,0|3,0,0]=4 647 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [0,1,0,0,0,0|3,0,0]=4 648 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [0,1,0,0,0,0|3,0,0]=4 649 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [0,1,0,0,0,0|3,0,0]=4 650 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [0,1,0,0,0,0|3,0,0]=4 651 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [0,1,0,0,0,0|3,0,0]=4 652 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [0,1,0,0,0,0|3,0,0]=4 653 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [0,1,0,0,0,0|3,0,0]=4 655 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [0,1,0,0,0,0|3,0,0]=4 677 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [0,1,0,0,0,0|3,0,0]=4 679 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [0,1,0,0,0,0|3,0,0]=4 682 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [0,1,0,0,0,0|1,0,0]=2 703 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [0,1,0,0,0,0|1,0,0]=2 705 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [0,1,0,0,0,0|1,0,0]=2 707 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [0,1,0,0,0,0|1,0,0]=2 708 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [0,1,0,0,0,0|1,0,0]=2 709 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [0,1,0,0,0,0|2,0,0]=3 728 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [0,1,0,0,0,0|2,0,0]=3 729 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,1,0,0,0,0|2,0,1]=4 733 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,1,0,0,0,0|3,0,0]=4 742 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,1,0,0,0,0|1,0,0]=2 743 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,1,0,0,0,0|3,0,0]=4 749 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,1,0,0,0,0|3,0,0]=4 750 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 752 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 753 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 754 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 755 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,1,0,0,0,0|3,0,0]=4 756 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,1,0,0,0,0|3,0,0]=4 757 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,1,0,0,0,0|2,0,1]=4 769 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,1,0,0,0,0|2,0,1]=4 770 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,1,0,0,0,0|3,0,0]=4 771 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,1,0,0,0,0|3,0,0]=4 772 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,1,0,0,0,0|1,0,1]=3 783 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,1,0,0,0,0|2,0,1]=4 784 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,1,0,0,0,0|2,0,1]=4 785 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,1,0,0,0,0|1,0,0]=2 787 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,1,0,0,0,0|1,0,0]=2 788 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,1,0,0,0,0|1,0,0]=2 789 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,1,0,0,0,0|1,0,0]=2 790 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,1,0,0,0,0|1,0,0]=2 791 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,1,0,0,0,0|1,0,0]=2 792 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,1,0,0,0,0|1,0,0]=2 793 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,1,0,0,0,0|1,0,0]=2 794 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,1,0,0,0,0|1,0,0]=2 795 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,1,0,0,0,0|1,0,0]=2 796 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,1,0,0,0,0|1,0,0]=2 799 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,1,0,0,0,0|1,0,0]=2 800 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,1,0,0,0,0|1,0,0]=2 801 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,1,0,0,0,0|2,0,0]=3 803 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,1,0,0,0,0|2,0,0]=3 804 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,1,0,0,0,0|2,0,0]=3 805 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,1,0,0,0,0|2,0,0]=3 806 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 807 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,1,0,0,0,0|3,0,0]=4 808 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,0,0|2,0,0]=3 809 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,1,0,0,0,0|2,0,0]=3 811 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,1,0,0,0,0|2,0,0]=3 814 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,1,0,0,0,0|2,0,0]=3 815 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 819 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,1,0,0,0,0|3,0,0]=4 820 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,1,0,0,0,0|3,0,0]=4 821 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,1,0,0,0,0|2,0,0]=3 822 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,1,0,0,0,0|2,0,0]=3 823 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,1,0,0,0,0|3,0,0]=4 825 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,1,0,0,0,0|1,0,2]=4 826 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,1,0,0,0,0|2,0,1]=4 827 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,1,0,0,0,0|2,0,1]=4 828 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 829 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 830 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,1,0,0,0,0|1,0,0]=2 832 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,1,0,0,0,0|2,0,0]=3 833 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,1,0,0,0,0|2,0,1]=4 837 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,1,0,0,0,0|2,0,1]=4 838 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,1,0,0,0,0|3,0,0]=4 841 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.17 C#CCNc1ccccc1Br 34a_100000210017_100000184674 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.17 C#CCNc1ccccc1C 34a_100015192222_100000184674 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.17 C#CCNc1ccccc1Cl 34a_100000185783_100000184674 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.17 C#CCNc1ccccc1F 34a_100000210422_100000184674 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.17 C#CCNc1ccccc1I 34a_100000210053_100000184674 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.17 C#CCNc1ccccc1O 34a_100000185747_100000184674 [0,1,0,0,0,0|3,0,0]=4 849 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [0,1,0,0,0,0|3,0,0]=4 857 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [0,1,0,0,0,0|3,0,0]=4 858 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [0,1,0,0,0,0|3,0,0]=4 861 B11R1.17 C#CCSc1ccccc1Br 62a_100000038162_100000695589 [0,1,0,0,0,0|3,0,0]=4 862 B11R1.17 C#CCSc1ccccc1C 62a_100000038162_100000210755 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.17 C#CCSc1ccccc1Cl 62a_100000038162_100000764095 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.17 C#CCSc1ccccc1F 62a_100000038162_100011215700 [0,1,0,0,0,0|3,0,0]=4 865 B11R1.17 C#CCSc1ccccc1N 62a_100000038162_100000210017 [0,1,0,0,0,0|3,0,0]=4 866 B11R1.17 C#CCSc1ccccc1O 62a_100000038162_100000739446 [0,1,0,0,0,0|3,0,0]=4 867 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [0,1,0,0,0,0|3,0,0]=4 869 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [0,1,0,0,0,0|3,0,0]=4 870 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [0,1,0,0,0,0|3,0,0]=4 871 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [0,1,0,0,0,0|3,0,0]=4 875 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [0,1,0,0,0,0|3,0,0]=4 877 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [0,1,0,0,0,0|3,0,0]=4 878 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [0,1,0,0,0,0|3,0,0]=4 879 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [0,1,0,0,0,0|3,0,0]=4 880 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [0,1,0,0,0,0|3,0,0]=4 881 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [0,1,0,0,0,0|3,0,0]=4 882 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [0,1,0,0,0,0|3,0,0]=4 883 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [0,1,0,0,0,0|3,0,0]=4 884 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [0,1,0,0,0,0|3,0,0]=4 887 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [0,1,0,0,0,0|3,0,0]=4 888 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [0,1,0,0,0,0|3,0,0]=4 889 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [0,1,0,0,0,0|3,0,0]=4 890 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [0,1,0,0,0,0|3,0,0]=4 891 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [0,1,0,0,0,0|3,0,0]=4 892 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [0,1,0,0,0,0|3,0,0]=4 893 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [0,1,0,0,0,0|3,0,0]=4 894 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [0,1,0,0,0,0|3,0,0]=4 895 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [0,1,0,0,0,0|3,0,0]=4 896 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [0,1,0,0,0,0|3,0,0]=4 898 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [0,1,0,0,0,0|3,0,0]=4 899 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [0,1,0,0,0,0|2,0,0]=3 903 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [0,1,0,0,0,0|2,0,0]=3 906 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [0,1,0,0,0,0|3,0,0]=4 909 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [0,1,0,0,0,0|3,0,0]=4 926 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [0,1,0,0,0,0|3,0,0]=4 927 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [0,1,0,0,0,0|3,0,0]=4 928 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [0,1,0,0,0,0|3,0,0]=4 930 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [0,1,0,0,0,0|3,0,0]=4 932 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [0,1,0,0,0,0|3,0,0]=4 933 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [0,1,0,0,0,0|3,0,0]=4 936 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [0,1,0,0,0,0|3,0,0]=4 942 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [0,1,0,0,0,0|3,0,0]=4 951 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [0,1,0,0,0,0|3,0,0]=4 952 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [0,1,0,0,0,0|3,0,0]=4 953 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [0,1,0,0,0,0|3,0,0]=4 954 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [0,1,0,0,0,0|3,0,0]=4 957 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [0,1,0,0,0,0|3,0,0]=4 959 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [0,1,0,0,0,0|3,0,0]=4 960 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [0,1,0,0,0,0|3,0,0]=4 961 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 962 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 963 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [0,1,0,0,0,0|3,0,0]=4 964 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [0,1,0,0,0,0|3,0,0]=4 965 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 966 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 967 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [0,1,0,0,0,0|3,0,0]=4 968 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [0,1,0,0,0,0|3,0,0]=4 969 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 971 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 972 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [0,1,0,0,0,0|3,0,0]=4 973 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [0,1,0,0,0,0|3,0,0]=4 977 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [0,1,0,0,0,0|3,0,0]=4 985 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [0,1,0,0,0,0|3,0,0]=4 988 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [0,1,0,0,0,0|3,0,0]=4 989 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 990 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [0,1,0,0,0,0|3,0,0]=4 991 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 996 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [0,1,0,0,0,0|3,0,0]=4 997 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 998 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [0,1,0,0,0,0|3,0,0]=4 999 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [0,1,0,0,0,0|3,0,0]=4 1000 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [0,1,0,0,0,0|3,0,0]=4 1005 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [0,1,0,0,0,0|3,0,0]=4 1006 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [0,1,0,0,0,0|1,0,0]=2 1012 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [0,1,0,0,0,0|1,0,0]=2 1013 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [0,1,0,0,0,0|1,0,0]=2 1014 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [0,1,0,0,0,0|1,0,0]=2 1015 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [0,1,0,0,0,0|1,0,0]=2 1016 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [0,1,0,0,0,0|1,0,0]=2 1017 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [0,1,0,0,0,0|1,0,0]=2 1018 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [0,1,0,0,0,0|1,0,0]=2 1019 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [0,1,0,0,0,0|1,0,0]=2 1020 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [0,1,0,0,0,0|1,0,0]=2 1021 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [0,1,0,0,0,0|1,0,0]=2 1022 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [0,1,0,0,0,0|1,0,0]=2 1023 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [0,1,0,0,0,0|1,0,0]=2 1024 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [0,1,0,0,0,0|1,0,0]=2 1025 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [0,1,0,0,0,0|1,0,0]=2 1026 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [0,1,0,0,0,0|1,0,0]=2 1027 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [0,1,0,0,0,0|1,0,0]=2 1028 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [0,1,0,0,0,0|1,0,0]=2 1029 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [0,1,0,0,0,0|1,0,0]=2 1030 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [0,1,0,0,0,0|1,0,0]=2 1031 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [0,1,0,0,0,0|1,0,0]=2 1032 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [0,1,0,0,0,0|1,0,0]=2 1033 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [0,1,0,0,0,0|1,0,0]=2 1034 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [0,1,0,0,0,0|1,0,0]=2 1035 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1037 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [0,1,0,0,0,0|2,0,0]=3 1038 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1039 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,0]=3 1041 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,0]=3 1042 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1043 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [0,1,0,0,0,0|2,0,0]=3 1049 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,0]=3 1051 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [0,1,0,0,0,0|3,0,0]=4 1053 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [0,1,0,0,0,0|3,0,0]=4 1057 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|3,0,0]=4 1059 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [0,1,0,0,0,0|3,0,0]=4 1060 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [0,1,0,0,0,0|3,0,0]=4 1061 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [0,1,0,0,0,0|3,0,0]=4 1062 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [0,1,0,0,0,0|2,0,0]=3 1068 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [0,1,0,0,0,0|2,0,0]=3 1069 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1070 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [0,1,0,0,0,0|2,0,0]=3 1071 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [0,1,0,0,0,0|2,0,0]=3 1072 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [0,1,0,0,0,0|2,0,0]=3 1074 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [0,1,0,0,0,0|2,0,0]=3 1075 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [0,1,0,0,0,0|2,0,0]=3 1076 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [0,1,0,0,0,0|2,0,0]=3 1077 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [0,1,0,0,0,0|3,0,0]=4 1081 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [0,1,0,0,0,0|3,0,0]=4 1086 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [0,1,0,0,0,0|3,0,0]=4 1087 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [0,1,0,0,0,0|3,0,0]=4 1089 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [0,1,0,0,0,0|3,0,0]=4 1090 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [0,1,0,0,0,0|1,0,0]=2 1102 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [0,1,0,0,0,0|1,0,0]=2 1103 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,0]=3 1104 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [0,1,0,0,0,0|2,0,0]=3 1106 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [0,1,0,0,0,0|2,0,0]=3 1107 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [0,1,0,0,0,0|3,0,0]=4 1110 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [0,1,0,0,0,0|3,0,0]=4 1111 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|3,0,0]=4 1115 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [0,1,0,0,0,0|2,0,1]=4 1116 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.17 Cc1ccccc1SCC#N 62a_100000210755_100011215382 [0,1,0,0,0,0|2,0,1]=4 1123 B11R1.17 Cc1ccccc1SCC#N 62a_100011215382_100000210755 [0,1,0,0,0,0|2,0,1]=4 1124 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [0,1,0,0,0,0|3,0,0]=4 1125 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|3,0,0]=4 1129 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [0,1,0,0,0,0|3,0,0]=4 1132 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [0,1,0,0,0,0|3,0,0]=4 1137 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [0,1,0,0,0,0|3,0,0]=4 1138 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [0,1,0,0,0,0|3,0,0]=4 1148 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [0,1,0,0,0,0|3,0,0]=4 1149 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [0,1,0,0,0,0|3,0,0]=4 1153 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [0,1,0,0,0,0|3,0,0]=4 1154 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [0,1,0,0,0,0|3,0,0]=4 1157 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [0,1,0,0,0,0|3,0,0]=4 1159 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 1161 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [0,1,0,0,0,0|3,0,0]=4 1162 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [0,1,0,0,0,0|3,0,0]=4 1163 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [0,1,0,0,0,0|3,0,0]=4 1165 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [0,1,0,0,0,0|3,0,0]=4 1166 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [0,1,0,0,0,0|2,0,1]=4 1171 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [0,1,0,0,0,0|2,0,1]=4 1172 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [0,1,0,0,0,0|2,0,1]=4 1173 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [0,1,0,0,0,0|2,0,1]=4 1174 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [0,1,0,0,0,0|2,0,1]=4 1175 B11R1.17 N#CCSc1ccccc1Br 62a_100000695589_100011215382 [0,1,0,0,0,0|2,0,1]=4 1176 B11R1.17 N#CCSc1ccccc1Br 62a_100011215382_100000695589 [0,1,0,0,0,0|2,0,1]=4 1177 B11R1.17 N#CCSc1ccccc1Cl 62a_100000764095_100011215382 [0,1,0,0,0,0|2,0,1]=4 1178 B11R1.17 N#CCSc1ccccc1Cl 62a_100011215382_100000764095 [0,1,0,0,0,0|2,0,1]=4 1179 B11R1.17 N#CCSc1ccccc1F 62a_100011215382_100011215700 [0,1,0,0,0,0|2,0,1]=4 1180 B11R1.17 N#CCSc1ccccc1F 62a_100011215700_100011215382 [0,1,0,0,0,0|2,0,1]=4 1181 B11R1.17 N#CCSc1ccccc1N 62a_100000210017_100011215382 [0,1,0,0,0,0|2,0,1]=4 1182 B11R1.17 N#CCSc1ccccc1N 62a_100011215382_100000210017 [0,1,0,0,0,0|2,0,1]=4 1183 B11R1.17 N#CCSc1ccccc1O 62a_100000739446_100011215382 [0,1,0,0,0,0|2,0,1]=4 1184 B11R1.17 N#CCSc1ccccc1O 62a_100011215382_100000739446 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.17 N#CSCc1ccccc1O 271570a_203496583355_200010199460 [0,1,0,0,0,0|2,0,1]=4 1186 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [0,1,0,0,0,0|2,0,0]=3 1187 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [0,1,0,0,0,0|3,0,0]=4 1188 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [0,1,0,0,0,0|3,0,0]=4 1189 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [0,1,0,0,0,0|3,0,0]=4 1190 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|3,0,0]=4 1191 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [0,1,0,0,0,0|3,0,0]=4 1192 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [0,1,0,0,0,0|3,0,0]=4 1194 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [0,1,0,0,0,0|3,0,0]=4 1196 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [0,1,0,0,0,0|3,0,0]=4 1197 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [0,1,0,0,0,0|2,0,0]=3 1201 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [0,1,0,0,0,0|3,0,0]=4 1202 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [0,1,0,0,0,0|3,0,0]=4 1203 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [0,1,0,0,0,0|3,0,0]=4 1208 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [0,1,0,0,0,0|3,0,0]=4 1211 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [0,1,0,0,0,0|3,0,0]=4 1214 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [0,1,0,0,0,0|3,0,0]=4 1215 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [0,1,0,0,0,0|3,0,0]=4 1216 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [0,1,0,0,0,0|3,0,0]=4 1219 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [0,1,0,0,0,0|3,0,0]=4 1226 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [0,1,0,0,0,0|3,0,0]=4 1227 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [0,1,0,0,0,0|3,0,0]=4 1228 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [0,1,0,0,0,0|3,0,0]=4 1229 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [0,1,0,0,0,0|3,0,0]=4 1230 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [0,1,0,0,0,0|3,0,0]=4 1231 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [0,1,0,0,0,0|3,0,0]=4 1232 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [0,1,0,0,0,0|3,0,0]=4 1234 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [0,1,0,0,0,0|3,0,0]=4 1237 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [0,1,0,0,0,0|3,0,0]=4 1238 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [0,1,0,0,0,0|3,0,0]=4 1239 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [0,1,0,0,0,0|3,0,0]=4 1240 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [0,1,0,0,0,0|3,0,0]=4 1241 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [0,1,0,0,0,0|3,0,0]=4 1242 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [0,1,0,0,0,0|3,0,0]=4 1243 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [0,1,0,0,0,0|3,0,0]=4 1245 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [0,1,0,0,0,0|3,0,0]=4 1246 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [0,1,0,0,0,0|3,0,0]=4 1247 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [0,1,0,0,0,0|3,0,0]=4 1248 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [0,1,0,0,0,0|3,0,0]=4 1250 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [0,1,0,0,0,0|1,0,0]=2 1251 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [0,1,0,0,0,0|1,0,0]=2 1252 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [0,1,0,0,0,0|1,0,0]=2 1253 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [0,1,0,0,0,0|1,0,0]=2 1255 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [0,1,0,0,0,0|1,0,0]=2 1256 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [0,1,0,0,0,0|1,0,0]=2 1257 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [0,1,0,0,0,0|2,0,0]=3 1258 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 1260 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [0,1,0,0,0,0|2,0,0]=3 1261 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [0,1,0,0,0,0|2,0,0]=3 1263 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [0,1,0,0,0,0|2,0,0]=3 1264 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [0,1,0,0,0,0|2,0,0]=3 1265 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [0,1,0,0,0,0|2,0,0]=3 1266 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,0]=3 1267 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [0,1,0,0,0,0|2,0,0]=3 1268 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [0,1,0,0,0,0|2,0,0]=3 1271 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [0,1,0,0,0,0|2,0,0]=3 1272 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.24 C#CCNc1cccc(c1)Br 34a_100000210019_100000184674 [0,1,0,0,0,0|3,0,0]=4 1276 B11R1.24 C#CCNc1cccc(c1)C 2230a_100000188690_100000038162 [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.24 C#CCNc1cccc(c1)C 34a_100000188690_100000184674 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.24 C#CCNc1cccc(c1)Cl 34a_100000185859_100000184674 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.24 C#CCNc1cccc(c1)F 34a_100000210047_100000184674 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.24 C#CCNc1cccc(c1)I 34a_100000211102_100000184674 [0,1,0,0,0,0|3,0,0]=4 1281 B11R1.24 C#CCNc1cccc(c1)O 34a_100000210217_100000184674 [0,1,0,0,0,0|3,0,0]=4 1282 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [0,1,0,0,0,0|3,0,0]=4 1283 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [0,1,0,0,0,0|3,0,0]=4 1287 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [0,1,0,0,0,0|3,0,0]=4 1290 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [0,1,0,0,0,0|3,0,0]=4 1293 B11R1.24 C#CCSc1cccc(c1)Br 62a_100000038162_100000691529 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.24 C#CCSc1cccc(c1)C 62a_100000038162_100011215228 [0,1,0,0,0,0|3,0,0]=4 1295 B11R1.24 C#CCSc1cccc(c1)Cl 62a_100000038162_100000699651 [0,1,0,0,0,0|3,0,0]=4 1296 B11R1.24 C#CCSc1cccc(c1)F 62a_100000038162_100000685547 [0,1,0,0,0,0|3,0,0]=4 1297 B11R1.24 C#CCSc1cccc(c1)N 62a_100000038162_100000210019 [0,1,0,0,0,0|3,0,0]=4 1298 B11R1.24 C#CCSc1cccc(c1)O 62a_100000038162_100000211634 [0,1,0,0,0,0|3,0,0]=4 1299 B11R1.24 C#CCSc1cccc(c1)[S] 62a_100000038162_114929384022 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [0,1,0,0,0,0|3,0,0]=4 1302 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,1,0,0,0,0|3,0,0]=4 1304 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [0,1,0,0,0,0|3,0,0]=4 1306 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [0,1,0,0,0,0|3,0,0]=4 1307 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,1,0,0,0,0|3,0,0]=4 1313 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,1,0,0,0,0|3,0,0]=4 1316 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,1,0,0,0,0|3,0,0]=4 1317 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,1,0,0,0,0|3,0,0]=4 1318 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [0,1,0,0,0,0|3,0,0]=4 1320 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [0,1,0,0,0,0|3,0,0]=4 1322 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,1,0,0,0,0|3,0,0]=4 1323 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,1,0,0,0,0|3,0,0]=4 1324 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [0,1,0,0,0,0|3,0,0]=4 1325 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [0,1,0,0,0,0|3,0,0]=4 1326 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [0,1,0,0,0,0|3,0,0]=4 1327 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [0,1,0,0,0,0|3,0,0]=4 1329 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [0,1,0,0,0,0|3,0,0]=4 1330 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [0,1,0,0,0,0|3,0,0]=4 1331 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [0,1,0,0,0,0|3,0,0]=4 1333 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [0,1,0,0,0,0|3,0,0]=4 1334 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [0,1,0,0,0,0|3,0,0]=4 1335 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [0,1,0,0,0,0|3,0,0]=4 1336 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [0,1,0,0,0,0|3,0,0]=4 1339 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [0,1,0,0,0,0|2,0,0]=3 1341 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,1,0,0,0,0|2,0,0]=3 1342 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [0,1,0,0,0,0|2,0,0]=3 1343 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [0,1,0,0,0,0|2,0,0]=3 1344 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [0,1,0,0,0,0|2,0,0]=3 1345 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [0,1,0,0,0,0|2,0,0]=3 1346 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [0,1,0,0,0,0|2,0,0]=3 1347 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [0,1,0,0,0,0|2,0,0]=3 1348 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [0,1,0,0,0,0|3,0,0]=4 1349 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,1,0,0,0,0|3,0,0]=4 1350 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [0,1,0,0,0,0|3,0,0]=4 1351 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [0,1,0,0,0,0|3,0,0]=4 1352 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [0,1,0,0,0,0|3,0,0]=4 1353 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [0,1,0,0,0,0|3,0,0]=4 1354 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [0,1,0,0,0,0|3,0,0]=4 1355 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [0,1,0,0,0,0|3,0,0]=4 1356 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [0,1,0,0,0,0|3,0,0]=4 1357 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [0,1,0,0,0,0|3,0,0]=4 1361 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [0,1,0,0,0,0|3,0,0]=4 1362 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [0,1,0,0,0,0|3,0,0]=4 1363 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [0,1,0,0,0,0|3,0,0]=4 1364 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [0,1,0,0,0,0|3,0,0]=4 1365 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [0,1,0,0,0,0|3,0,0]=4 1366 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [0,1,0,0,0,0|3,0,0]=4 1367 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [0,1,0,0,0,0|3,0,0]=4 1368 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [0,1,0,0,0,0|3,0,0]=4 1374 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [0,1,0,0,0,0|3,0,0]=4 1379 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [0,1,0,0,0,0|3,0,0]=4 1380 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [0,1,0,0,0,0|3,0,0]=4 1381 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [0,1,0,0,0,0|3,0,0]=4 1382 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [0,1,0,0,0,0|3,0,0]=4 1383 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [0,1,0,0,0,0|3,0,0]=4 1385 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [0,1,0,0,0,0|3,0,0]=4 1386 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [0,1,0,0,0,0|3,0,0]=4 1392 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [0,1,0,0,0,0|3,0,0]=4 1393 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [0,1,0,0,0,0|3,0,0]=4 1394 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [0,1,0,0,0,0|3,0,0]=4 1395 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [0,1,0,0,0,0|3,0,0]=4 1405 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [0,1,0,0,0,0|3,0,0]=4 1406 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [0,1,0,0,0,0|3,0,0]=4 1409 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [0,1,0,0,0,0|3,0,0]=4 1410 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1413 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [0,1,0,0,0,0|3,0,0]=4 1415 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1416 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 1418 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [0,1,0,0,0,0|3,0,0]=4 1421 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [0,1,0,0,0,0|3,0,0]=4 1425 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [0,1,0,0,0,0|3,0,0]=4 1427 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 1428 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [0,1,0,0,0,0|3,0,0]=4 1435 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [0,1,0,0,0,0|3,0,0]=4 1436 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [0,1,0,0,0,0|3,0,0]=4 1451 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [0,1,0,0,0,0|3,0,0]=4 1457 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [0,1,0,0,0,0|1,0,0]=2 1458 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [0,1,0,0,0,0|1,0,0]=2 1459 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [0,1,0,0,0,0|1,0,0]=2 1460 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [0,1,0,0,0,0|1,0,0]=2 1461 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [0,1,0,0,0,0|1,0,0]=2 1462 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [0,1,0,0,0,0|1,0,0]=2 1463 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [0,1,0,0,0,0|1,0,0]=2 1464 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [0,1,0,0,0,0|1,0,0]=2 1465 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [0,1,0,0,0,0|1,0,0]=2 1466 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [0,1,0,0,0,0|1,0,0]=2 1467 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [0,1,0,0,0,0|1,0,0]=2 1468 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [0,1,0,0,0,0|1,0,0]=2 1469 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [0,1,0,0,0,0|1,0,0]=2 1470 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [0,1,0,0,0,0|1,0,0]=2 1471 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [0,1,0,0,0,0|1,0,0]=2 1472 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1473 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [0,1,0,0,0,0|1,0,0]=2 1474 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1475 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [0,1,0,0,0,0|1,0,0]=2 1476 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [0,1,0,0,0,0|1,0,0]=2 1477 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [0,1,0,0,0,0|1,0,0]=2 1478 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [0,1,0,0,0,0|1,0,0]=2 1479 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [0,1,0,0,0,0|2,0,0]=3 1480 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [0,1,0,0,0,0|2,0,0]=3 1481 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1482 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [0,1,0,0,0,0|2,0,0]=3 1483 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1484 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [0,1,0,0,0,0|2,0,0]=3 1485 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [0,1,0,0,0,0|2,0,0]=3 1486 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [0,1,0,0,0,0|2,0,0]=3 1487 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [0,1,0,0,0,0|2,0,0]=3 1488 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [0,1,0,0,0,0|2,0,0]=3 1489 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [0,1,0,0,0,0|2,0,0]=3 1490 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [0,1,0,0,0,0|2,0,0]=3 1491 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [0,1,0,0,0,0|2,0,0]=3 1492 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [0,1,0,0,0,0|2,0,0]=3 1493 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,0]=3 1494 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [0,1,0,0,0,0|3,0,0]=4 1495 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [0,1,0,0,0,0|3,0,0]=4 1496 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [0,1,0,0,0,0|3,0,0]=4 1497 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [0,1,0,0,0,0|3,0,0]=4 1498 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [0,1,0,0,0,0|3,0,0]=4 1499 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [0,1,0,0,0,0|3,0,0]=4 1500 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [0,1,0,0,0,0|3,0,0]=4 1501 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [0,1,0,0,0,0|3,0,0]=4 1502 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [0,1,0,0,0,0|3,0,0]=4 1503 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [0,1,0,0,0,0|3,0,0]=4 1506 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [0,1,0,0,0,0|3,0,0]=4 1507 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [0,1,0,0,0,0|3,0,0]=4 1508 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [0,1,0,0,0,0|2,0,0]=3 1512 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [0,1,0,0,0,0|2,0,0]=3 1513 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [0,1,0,0,0,0|2,0,0]=3 1514 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [0,1,0,0,0,0|2,0,0]=3 1515 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [0,1,0,0,0,0|2,0,0]=3 1516 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [0,1,0,0,0,0|2,0,0]=3 1517 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [0,1,0,0,0,0|2,0,0]=3 1518 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [0,1,0,0,0,0|2,0,0]=3 1519 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 1520 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 1521 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [0,1,0,0,0,0|3,0,0]=4 1522 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [0,1,0,0,0,0|3,0,0]=4 1523 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [0,1,0,0,0,0|3,0,0]=4 1528 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,1,0,0,0,0|3,0,0]=4 1529 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [0,1,0,0,0,0|3,0,0]=4 1530 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [0,1,0,0,0,0|3,0,0]=4 1534 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [0,1,0,0,0,0|3,0,0]=4 1538 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [0,1,0,0,0,0|3,0,0]=4 1539 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [0,1,0,0,0,0|3,0,0]=4 1540 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [0,1,0,0,0,0|3,0,0]=4 1542 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [0,1,0,0,0,0|3,0,0]=4 1543 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [0,1,0,0,0,0|1,0,0]=2 1546 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [0,1,0,0,0,0|1,0,0]=2 1547 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [0,1,0,0,0,0|2,0,0]=3 1548 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [0,1,0,0,0,0|2,0,0]=3 1549 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [0,1,0,0,0,0|2,0,0]=3 1550 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [0,1,0,0,0,0|2,0,0]=3 1551 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [0,1,0,0,0,0|3,0,0]=4 1555 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.24 Cc1cccc(c1)NCC#N 2230a_100000188690_100011215382 [0,1,0,0,0,0|2,0,1]=4 1557 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [0,1,0,0,0,0|3,0,0]=4 1558 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [0,1,0,0,0,0|3,0,0]=4 1559 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [0,1,0,0,0,0|3,0,0]=4 1560 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [0,1,0,0,0,0|3,0,0]=4 1561 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [0,1,0,0,0,0|3,0,0]=4 1562 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [0,1,0,0,0,0|3,0,0]=4 1563 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [0,1,0,0,0,0|2,0,1]=4 1564 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,1,0,0,0,0|3,0,0]=4 1565 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,1,0,0,0,0|3,0,0]=4 1566 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [0,1,0,0,0,0|3,0,0]=4 1567 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [0,1,0,0,0,0|3,0,0]=4 1568 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,1,0,0,0,0|3,0,0]=4 1569 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,1,0,0,0,0|3,0,0]=4 1570 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215228_100011215382 [0,1,0,0,0,0|2,0,1]=4 1571 B11R1.24 Cc1cccc(c1)SCC#N 62a_100011215382_100011215228 [0,1,0,0,0,0|2,0,1]=4 1572 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [0,1,0,0,0,0|3,0,0]=4 1578 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [0,1,0,0,0,0|2,0,0]=3 1579 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [0,1,0,0,0,0|2,0,0]=3 1580 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [0,1,0,0,0,0|3,0,0]=4 1581 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [0,1,0,0,0,0|3,0,0]=4 1582 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [0,1,0,0,0,0|3,0,0]=4 1583 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [0,1,0,0,0,0|3,0,0]=4 1584 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [0,1,0,0,0,0|3,0,0]=4 1585 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [0,1,0,0,0,0|3,0,0]=4 1586 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [0,1,0,0,0,0|3,0,0]=4 1587 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [0,1,0,0,0,0|3,0,0]=4 1588 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [0,1,0,0,0,0|3,0,0]=4 1589 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [0,1,0,0,0,0|3,0,0]=4 1590 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [0,1,0,0,0,0|3,0,0]=4 1591 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [0,1,0,0,0,0|3,0,0]=4 1592 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [0,1,0,0,0,0|3,0,0]=4 1593 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [0,1,0,0,0,0|3,0,0]=4 1594 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [0,1,0,0,0,0|3,0,0]=4 1595 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [0,1,0,0,0,0|3,0,0]=4 1596 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [0,1,0,0,0,0|3,0,0]=4 1599 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [0,1,0,0,0,0|3,0,0]=4 1603 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [0,1,0,0,0,0|3,0,0]=4 1608 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [0,1,0,0,0,0|3,0,0]=4 1610 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [0,1,0,0,0,0|3,0,0]=4 1611 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [0,1,0,0,0,0|3,0,0]=4 1612 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [0,1,0,0,0,0|3,0,0]=4 1615 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [0,1,0,0,0,0|3,0,0]=4 1616 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [0,1,0,0,0,0|3,0,0]=4 1617 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [0,1,0,0,0,0|1,0,1]=3 1621 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [0,1,0,0,0,0|2,0,1]=4 1622 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [0,1,0,0,0,0|2,0,1]=4 1623 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [0,1,0,0,0,0|2,0,1]=4 1624 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [0,1,0,0,0,0|2,0,1]=4 1625 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [0,1,0,0,0,0|2,0,1]=4 1626 B11R1.24 N#CCSc1cccc(c1)Br 62a_100000691529_100011215382 [0,1,0,0,0,0|2,0,1]=4 1627 B11R1.24 N#CCSc1cccc(c1)Br 62a_100011215382_100000691529 [0,1,0,0,0,0|2,0,1]=4 1628 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100000699651_100011215382 [0,1,0,0,0,0|2,0,1]=4 1629 B11R1.24 N#CCSc1cccc(c1)Cl 62a_100011215382_100000699651 [0,1,0,0,0,0|2,0,1]=4 1630 B11R1.24 N#CCSc1cccc(c1)F 62a_100000685547_100011215382 [0,1,0,0,0,0|2,0,1]=4 1631 B11R1.24 N#CCSc1cccc(c1)F 62a_100011215382_100000685547 [0,1,0,0,0,0|2,0,1]=4 1632 B11R1.24 N#CCSc1cccc(c1)N 62a_100000210019_100011215382 [0,1,0,0,0,0|2,0,1]=4 1633 B11R1.24 N#CCSc1cccc(c1)N 62a_100011215382_100000210019 [0,1,0,0,0,0|2,0,1]=4 1634 B11R1.24 N#CCSc1cccc(c1)O 271570a_203496583355_200011756096 [0,1,0,0,0,0|2,0,1]=4 1635 B11R1.24 N#CCSc1cccc(c1)O 62a_100011215382_100000211634 [0,1,0,0,0,0|2,0,1]=4 1636 B11R1.24 N#CCSc1cccc(c1)[S] 62a_100011215382_114929384022 [0,1,0,0,0,0|2,0,1]=4 1637 B11R1.24 N#CCSc1cccc(c1)[S] 62a_114929384022_100011215382 [0,1,0,0,0,0|2,0,1]=4 1638 B11R1.24 N#CSCc1cccc(c1)O 271570a_203496583355_200010199461 [0,1,0,0,0,0|2,0,1]=4 1639 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [0,1,0,0,0,0|1,0,0]=2 1640 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [0,1,0,0,0,0|2,0,0]=3 1641 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [0,1,0,0,0,0|3,0,0]=4 1650 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [0,1,0,0,0,0|3,0,0]=4 1651 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [0,1,0,0,0,0|3,0,0]=4 1652 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [0,1,0,0,0,0|3,0,0]=4 1655 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [0,1,0,0,0,0|3,0,0]=4 1656 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,1,0,0,0,0|3,0,0]=4 1657 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,1,0,0,0,0|3,0,0]=4 1658 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,1,0,0,0,0|3,0,0]=4 1659 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,1,0,0,0,0|3,0,0]=4 1660 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,1,0,0,0,0|3,0,0]=4 1661 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,1,0,0,0,0|3,0,0]=4 1662 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,1,0,0,0,0|3,0,0]=4 1663 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,1,0,0,0,0|3,0,0]=4 1664 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [0,1,0,0,0,0|3,0,0]=4 1665 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [0,1,0,0,0,0|3,0,0]=4 1666 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,1,0,0,0,0|3,0,0]=4 1668 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [0,1,0,0,0,0|3,0,0]=4 1669 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [0,1,0,0,0,0|3,0,0]=4 1670 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [0,1,0,0,0,0|3,0,0]=4 1671 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [0,1,0,0,0,0|3,0,0]=4 1672 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [0,1,0,0,0,0|3,0,0]=4 1673 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [0,1,0,0,0,0|2,0,0]=3 1674 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [0,1,0,0,0,0|3,0,0]=4 1675 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,1,0,0,0,0|3,0,0]=4 1676 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [0,1,0,0,0,0|3,0,0]=4 1677 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [0,1,0,0,0,0|3,0,0]=4 1678 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [0,1,0,0,0,0|3,0,0]=4 1679 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,1,0,0,0,0|3,0,0]=4 1680 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,1,0,0,0,0|3,0,0]=4 1681 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,1,0,0,0,0|3,0,0]=4 1682 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,1,0,0,0,0|3,0,0]=4 1683 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,1,0,0,0,0|3,0,0]=4 1684 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,1,0,0,0,0|3,0,0]=4 1685 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,1,0,0,0,0|3,0,0]=4 1686 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,1,0,0,0,0|3,0,0]=4 1687 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,1,0,0,0,0|3,0,0]=4 1688 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [0,1,0,0,0,0|3,0,0]=4 1689 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [0,1,0,0,0,0|3,0,0]=4 1690 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,1,0,0,0,0|3,0,0]=4 1691 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,1,0,0,0,0|3,0,0]=4 1692 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [0,1,0,0,0,0|3,0,0]=4 1693 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [0,1,0,0,0,0|3,0,0]=4 1694 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [0,1,0,0,0,0|3,0,0]=4 1695 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [0,1,0,0,0,0|3,0,0]=4 1696 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [0,1,0,0,0,0|3,0,0]=4 1697 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [0,1,0,0,0,0|3,0,0]=4 1699 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [0,1,0,0,0,0|3,0,0]=4 1700 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [0,1,0,0,0,0|3,0,0]=4 1701 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [0,1,0,0,0,0|3,0,0]=4 1702 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [0,1,0,0,0,0|3,0,0]=4 1703 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [0,1,0,0,0,0|1,0,0]=2 1704 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [0,1,0,0,0,0|1,0,0]=2 1705 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [0,1,0,0,0,0|1,0,0]=2 1706 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [0,1,0,0,0,0|1,0,0]=2 1707 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [0,1,0,0,0,0|1,0,0]=2 1708 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [0,1,0,0,0,0|1,0,0]=2 1709 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [0,1,0,0,0,0|1,0,0]=2 1710 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [0,1,0,0,0,0|1,0,0]=2 1711 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [0,1,0,0,0,0|2,0,0]=3 1712 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [0,1,0,0,0,0|2,0,0]=3 1713 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [0,1,0,0,0,0|2,0,0]=3 1714 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [0,1,0,0,0,0|2,0,0]=3 1715 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [0,1,0,0,0,0|2,0,0]=3 1716 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [0,1,0,0,0,0|2,0,0]=3 1717 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,0]=3 1718 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [0,1,0,0,0,0|3,0,0]=4 1719 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [0,1,0,0,0,0|3,0,0]=4 1720 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [0,1,0,0,0,0|2,0,0]=3 1721 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [0,1,0,0,0,0|2,0,0]=3 1722 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [0,1,0,0,0,0|2,0,0]=3 1723 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [0,1,0,0,0,0|2,0,0]=3 1724 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [0,1,0,0,0,0|2,0,0]=3 1725 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [0,1,0,0,0,0|2,0,0]=3 1726 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,1,0,0,0,0|2,0,0]=3 1727 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [0,1,0,0,0,0|3,0,0]=4 1728 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,1,0,0,0,0|3,0,0]=4 1729 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [0,1,0,0,0,0|2,0,0]=3 1730 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [0,1,0,0,0,0|2,0,0]=3 1731 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [0,1,0,0,0,0|2,0,0]=3 1732 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,1,0,0,0,0|3,0,0]=4 1733 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,1,0,0,0,0|3,0,0]=4 1734 B11R1.28 C#CCCOc1ccncc1 34a_100000212176_100000688953 [0,1,0,0,0,0|3,0,0]=4 1735 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [0,1,0,0,0,0|2,0,0]=3 1736 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [0,1,0,0,0,0|2,0,0]=3 1737 B11R1.28 C#CCCSc1ccccn1 62a_100000688953_100011216584 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.28 C#CCCSc1ccccn1 62a_100011216584_100000688953 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.28 C#CCCSc1cccnc1 62a_100000210063_100000688953 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.28 C#CCCSc1cccnc1 62a_100000688953_100000210063 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.28 C#CCCSc1ccncc1 62a_100000688953_100000728582 [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.28 C#CCCSc1ccncc1 62a_100000728582_100000688953 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,1,0,0,0,0|2,0,0]=3 1744 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,1,0,0,0,0|2,0,0]=3 1745 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,1,0,0,0,0|2,0,0]=3 1746 B11R1.28 C#CCNCc1ccccn1 34a_100000212058_100000721315 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [0,1,0,0,0,0|2,0,0]=3 1749 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [0,1,0,0,0,0|2,0,0]=3 1750 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [0,1,0,0,0,0|2,0,0]=3 1751 B11R1.28 C#CCOCc1ccccn1 34a_100000210247_100000721315 [0,1,0,0,0,0|3,0,0]=4 1752 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,1,0,0,0,0|3,0,0]=4 1753 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [0,1,0,0,0,0|2,0,0]=3 1754 B11R1.28 C#CCSCc1ccccn1 62a_100000038162_100000721315 [0,1,0,0,0,0|3,0,0]=4 1755 B11R1.28 C#CCSCc1cccnc1 62a_100000038162_100000741622 [0,1,0,0,0,0|3,0,0]=4 1756 B11R1.28 C#CCSCc1ccncc1 62a_100000038162_100015193705 [0,1,0,0,0,0|3,0,0]=4 1757 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [0,1,0,0,0,0|2,0,1]=4 1758 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [0,1,0,0,0,0|2,0,1]=4 1759 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [0,1,0,0,0,0|2,0,1]=4 1760 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [0,1,0,0,0,0|2,0,1]=4 1761 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [0,1,0,0,0,0|2,0,1]=4 1762 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [0,1,0,0,0,0|2,0,0]=3 1763 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [0,1,0,0,0,0|2,0,0]=3 1764 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [0,1,0,0,0,0|2,0,0]=3 1765 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,1,0,0,0,0|3,0,0]=4 1766 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,1,0,0,0,0|3,0,0]=4 1767 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [0,1,0,0,0,0|3,0,0]=4 1768 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [0,1,0,0,0,0|2,0,0]=3 1769 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [0,1,0,0,0,0|2,0,0]=3 1770 B11R1.28 C=CCCSc1ccccn1 62a_100000754431_100011216584 [0,1,0,0,0,0|3,0,0]=4 1771 B11R1.28 C=CCCSc1ccccn1 62a_100011216584_100000754431 [0,1,0,0,0,0|3,0,0]=4 1772 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.28 C=CCCSc1ccncc1 62a_100000728582_100000754431 [0,1,0,0,0,0|3,0,0]=4 1775 B11R1.28 C=CCCSc1ccncc1 62a_100000754431_100000728582 [0,1,0,0,0,0|3,0,0]=4 1776 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,1,0,0,0,0|2,0,0]=3 1777 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,1,0,0,0,0|2,0,0]=3 1778 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,1,0,0,0,0|2,0,0]=3 1779 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,1,0,0,0,0|2,0,0]=3 1780 B11R1.28 C=CCNCc1ccccn1 2230a_100020586998_100000721315 [0,1,0,0,0,0|3,0,0]=4 1781 B11R1.28 C=CCNCc1ccccn1 270004a_100020586998_100000209966 [0,1,0,0,0,0|3,0,0]=4 1782 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.28 C=CCNCc1ccncc1 2230a_100020586998_100015193705 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [0,1,0,0,0,0|2,0,0]=3 1786 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [0,1,0,0,0,0|2,0,0]=3 1787 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [0,1,0,0,0,0|2,0,0]=3 1788 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,1,0,0,0,0|3,0,0]=4 1790 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [0,1,0,0,0,0|2,0,0]=3 1791 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [0,1,0,0,0,0|2,0,0]=3 1792 B11R1.28 C=CCSCc1ccccn1 62a_100000210623_100000721315 [0,1,0,0,0,0|3,0,0]=4 1793 B11R1.28 C=CCSCc1ccccn1 62a_100000721315_100000210623 [0,1,0,0,0,0|3,0,0]=4 1794 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.28 C=CCSCc1ccncc1 62a_100000210623_100015193705 [0,1,0,0,0,0|3,0,0]=4 1797 B11R1.28 C=CCSCc1ccncc1 62a_100015193705_100000210623 [0,1,0,0,0,0|3,0,0]=4 1798 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [0,1,0,0,0,0|2,0,1]=4 1799 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 1800 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [0,1,0,0,0,0|2,0,1]=4 1801 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [0,1,0,0,0,0|2,0,1]=4 1802 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [0,1,0,0,0,0|2,0,1]=4 1803 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [0,1,0,0,0,0|2,0,1]=4 1804 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [0,1,0,0,0,0|2,0,1]=4 1805 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [0,1,0,0,0,0|2,0,1]=4 1806 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [0,1,0,0,0,0|2,0,1]=4 1807 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [0,1,0,0,0,0|2,0,1]=4 1808 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,1,0,0,0,0|2,0,1]=4 1809 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,1,0,0,0,0|2,0,1]=4 1810 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,1,0,0,0,0|2,0,0]=3 1811 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,1,0,0,0,0|2,0,0]=3 1812 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,1,0,0,0,0|2,0,0]=3 1813 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,1,0,0,0,0|3,0,0]=4 1814 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,1,0,0,0,0|3,0,0]=4 1815 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [0,1,0,0,0,0|3,0,0]=4 1816 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,1,0,0,0,0|2,0,0]=3 1818 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [0,1,0,0,0,0|3,0,0]=4 1819 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [0,1,0,0,0,0|3,0,0]=4 1820 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,1,0,0,0,0|3,0,0]=4 1821 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,1,0,0,0,0|3,0,0]=4 1822 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [0,1,0,0,0,0|3,0,0]=4 1823 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [0,1,0,0,0,0|3,0,0]=4 1824 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,1,0,0,0,0|2,0,0]=3 1825 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,1,0,0,0,0|2,0,0]=3 1826 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,1,0,0,0,0|2,0,0]=3 1827 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,1,0,0,0,0|2,0,0]=3 1828 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,1,0,0,0,0|3,0,0]=4 1829 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,1,0,0,0,0|3,0,0]=4 1830 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,1,0,0,0,0|3,0,0]=4 1831 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,1,0,0,0,0|3,0,0]=4 1832 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,1,0,0,0,0|3,0,0]=4 1833 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,1,0,0,0,0|2,0,0]=3 1834 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,1,0,0,0,0|2,0,0]=3 1835 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,1,0,0,0,0|2,0,0]=3 1836 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,1,0,0,0,0|3,0,0]=4 1837 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,1,0,0,0,0|3,0,0]=4 1838 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,1,0,0,0,0|2,0,0]=3 1839 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,1,0,0,0,0|2,0,0]=3 1840 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,1,0,0,0,0|3,0,0]=4 1841 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,1,0,0,0,0|3,0,0]=4 1842 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,1,0,0,0,0|3,0,0]=4 1843 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,1,0,0,0,0|3,0,0]=4 1844 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,1,0,0,0,0|3,0,0]=4 1845 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,1,0,0,0,0|3,0,0]=4 1846 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,1,0,0,0,0|1,0,0]=2 1847 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,1,0,0,0,0|1,0,0]=2 1848 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,1,0,0,0,0|1,0,0]=2 1849 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [0,1,0,0,0,0|2,0,0]=3 1850 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,1,0,0,0,0|2,0,0]=3 1851 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,1,0,0,0,0|2,0,0]=3 1852 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [0,1,0,0,0,0|2,0,0]=3 1853 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [0,1,0,0,0,0|2,0,0]=3 1854 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [0,1,0,0,0,0|2,0,1]=4 1855 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,1,0,0,0,0|2,0,0]=3 1856 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,1,0,0,0,0|2,0,0]=3 1857 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,1,0,0,0,0|2,0,0]=3 1858 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [0,1,0,0,0,0|3,0,0]=4 1859 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,1,0,0,0,0|3,0,0]=4 1860 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [0,1,0,0,0,0|3,0,0]=4 1861 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [0,1,0,0,0,0|3,0,0]=4 1862 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [0,1,0,0,0,0|3,0,0]=4 1863 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,1,0,0,0,0|2,0,0]=3 1864 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,1,0,0,0,0|2,0,0]=3 1865 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [0,1,0,0,0,0|3,0,0]=4 1867 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,1,0,0,0,0|3,0,0]=4 1868 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,1,0,0,0,0|3,0,0]=4 1869 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [0,1,0,0,0,0|3,0,0]=4 1870 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [0,1,0,0,0,0|3,0,0]=4 1871 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [0,1,0,0,0,0|3,0,0]=4 1872 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [0,1,0,0,0,0|3,0,0]=4 1873 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [0,1,0,0,0,0|1,0,1]=3 1874 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [0,1,0,0,0,0|1,0,1]=3 1875 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [0,1,0,0,0,0|1,0,1]=3 1876 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [0,1,0,0,0,0|1,0,1]=3 1877 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [0,1,0,0,0,0|1,0,1]=3 1878 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [0,1,0,0,0,0|1,0,1]=3 1879 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [0,1,0,0,0,0|1,0,1]=3 1880 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [0,1,0,0,0,0|1,0,1]=3 1881 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [0,1,0,0,0,0|1,0,1]=3 1882 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [0,1,0,0,0,0|1,0,1]=3 1883 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,1,0,0,0,0|1,0,0]=2 1884 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,1,0,0,0,0|1,0,0]=2 1885 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,1,0,0,0,0|1,0,0]=2 1886 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,1,0,0,0,0|1,0,0]=2 1887 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,1,0,0,0,0|1,0,0]=2 1888 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,1,0,0,0,0|2,0,0]=3 1889 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,1,0,0,0,0|2,0,0]=3 1890 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [0,1,0,0,0,0|2,0,0]=3 1891 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [0,1,0,0,0,0|1,0,0]=2 1892 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [0,1,0,0,0,0|1,0,0]=2 1893 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [0,1,0,0,0,0|1,0,0]=2 1894 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [0,1,0,0,0,0|1,0,0]=2 1895 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [0,1,0,0,0,0|1,0,0]=2 1896 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [0,1,0,0,0,0|1,0,0]=2 1897 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [0,1,0,0,0,0|2,0,0]=3 1898 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1899 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [0,1,0,0,0,0|1,0,0]=2 1900 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [0,1,0,0,0,0|1,0,0]=2 1901 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [0,1,0,0,0,0|1,0,0]=2 1902 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [0,1,0,0,0,0|1,0,0]=2 1903 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,1,0,0,0,0|1,0,0]=2 1904 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,1,0,0,0,0|1,0,0]=2 1905 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,1,0,0,0,0|1,0,0]=2 1906 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,1,0,0,0,0|1,0,0]=2 1907 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [0,1,0,0,0,0|2,0,1]=4 1908 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [0,1,0,0,0,0|2,0,1]=4 1909 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 1910 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [0,1,0,0,0,0|2,0,1]=4 1911 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [0,1,0,0,0,0|2,0,1]=4 1912 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [0,1,0,0,0,0|2,0,1]=4 1913 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,1,0,0,0,0|2,0,0]=3 1914 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,1,0,0,0,0|2,0,0]=3 1915 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,1,0,0,0,0|2,0,0]=3 1916 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [0,1,0,0,0,0|3,0,0]=4 1917 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [0,1,0,0,0,0|2,0,0]=3 1920 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [0,1,0,0,0,0|2,0,0]=3 1921 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [0,1,0,0,0,0|3,0,0]=4 1922 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [0,1,0,0,0,0|2,0,0]=3 1923 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [0,1,0,0,0,0|2,0,0]=3 1924 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [0,1,0,0,0,0|2,0,0]=3 1925 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [0,1,0,0,0,0|2,0,0]=3 1926 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [0,1,0,0,0,0|2,0,0]=3 1927 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,1,0,0,0,0|3,0,0]=4 1928 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,1,0,0,0,0|3,0,0]=4 1929 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [0,1,0,0,0,0|2,0,0]=3 1931 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [0,1,0,0,0,0|2,0,0]=3 1932 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [0,1,0,0,0,0|2,0,0]=3 1933 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [0,1,0,0,0,0|2,0,0]=3 1934 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [0,1,0,0,0,0|3,0,0]=4 1935 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [0,1,0,0,0,0|3,0,0]=4 1936 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [0,1,0,0,0,0|3,0,0]=4 1937 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,1,0,0,0,0|3,0,0]=4 1938 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,1,0,0,0,0|3,0,0]=4 1939 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [0,1,0,0,0,0|3,0,0]=4 1940 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [0,1,0,0,0,0|3,0,0]=4 1941 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,1,0,0,0,0|2,0,0]=3 1942 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,1,0,0,0,0|2,0,0]=3 1943 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,1,0,0,0,0|2,0,0]=3 1944 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,1,0,0,0,0|2,0,0]=3 1945 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,1,0,0,0,0|2,0,0]=3 1946 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [0,1,0,0,0,0|3,0,0]=4 1947 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [0,1,0,0,0,0|3,0,0]=4 1948 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,1,0,0,0,0|3,0,0]=4 1949 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,1,0,0,0,0|3,0,0]=4 1950 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [0,1,0,0,0,0|3,0,0]=4 1951 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [0,1,0,0,0,0|3,0,0]=4 1952 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [0,1,0,0,0,0|2,0,1]=4 1953 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [0,1,0,0,0,0|2,0,1]=4 1954 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [0,1,0,0,0,0|2,0,1]=4 1955 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,1,0,0,0,0|2,0,0]=3 1956 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,1,0,0,0,0|2,0,0]=3 1957 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [0,1,0,0,0,0|2,0,0]=3 1958 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [0,1,0,0,0,0|2,0,0]=3 1959 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [0,1,0,0,0,0|2,0,0]=3 1960 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [0,1,0,0,0,0|2,0,0]=3 1961 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [0,1,0,0,0,0|2,0,0]=3 1962 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,1,0,0,0,0|3,0,0]=4 1963 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,1,0,0,0,0|3,0,0]=4 1964 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [0,1,0,0,0,0|3,0,0]=4 1965 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [0,1,0,0,0,0|2,0,0]=3 1966 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [0,1,0,0,0,0|2,0,0]=3 1967 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [0,1,0,0,0,0|2,0,0]=3 1968 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [0,1,0,0,0,0|2,0,0]=3 1969 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [0,1,0,0,0,0|3,0,0]=4 1970 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [0,1,0,0,0,0|3,0,0]=4 1971 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,1,0,0,0,0|3,0,0]=4 1972 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,1,0,0,0,0|3,0,0]=4 1973 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [0,1,0,0,0,0|3,0,0]=4 1974 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [0,1,0,0,0,0|3,0,0]=4 1975 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,1,0,0,0,0|2,0,0]=3 1976 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,1,0,0,0,0|2,0,0]=3 1977 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,1,0,0,0,0|2,0,0]=3 1978 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,1,0,0,0,0|2,0,0]=3 1979 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,1,0,0,0,0|2,0,0]=3 1980 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,1,0,0,0,0|2,0,0]=3 1981 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,1,0,0,0,0|2,0,0]=3 1982 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,1,0,0,0,0|2,0,0]=3 1983 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,1,0,0,0,0|2,0,0]=3 1984 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [0,1,0,0,0,0|3,0,0]=4 1985 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [0,1,0,0,0,0|3,0,0]=4 1986 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,1,0,0,0,0|3,0,0]=4 1987 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,1,0,0,0,0|3,0,0]=4 1988 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [0,1,0,0,0,0|3,0,0]=4 1989 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [0,1,0,0,0,0|3,0,0]=4 1990 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,1,0,0,0,0|2,0,0]=3 1991 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,1,0,0,0,0|2,0,0]=3 1992 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,1,0,0,0,0|2,0,0]=3 1993 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,1,0,0,0,0|3,0,0]=4 1994 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,1,0,0,0,0|3,0,0]=4 1995 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [0,1,0,0,0,0|3,0,0]=4 1996 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,1,0,0,0,0|2,0,0]=3 1997 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,1,0,0,0,0|2,0,0]=3 1998 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [0,1,0,0,0,0|3,0,0]=4 1999 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [0,1,0,0,0,0|3,0,0]=4 2000 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,1,0,0,0,0|3,0,0]=4 2001 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,1,0,0,0,0|3,0,0]=4 2002 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [0,1,0,0,0,0|3,0,0]=4 2003 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [0,1,0,0,0,0|3,0,0]=4 2004 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,1,0,0,0,0|2,0,0]=3 2005 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,1,0,0,0,0|2,0,0]=3 2006 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,1,0,0,0,0|2,0,0]=3 2007 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,1,0,0,0,0|3,0,0]=4 2008 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,1,0,0,0,0|3,0,0]=4 2009 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,1,0,0,0,0|2,0,0]=3 2010 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,1,0,0,0,0|2,0,0]=3 2011 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,1,0,0,0,0|2,0,0]=3 2012 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,1,0,0,0,0|2,0,0]=3 2013 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [0,1,0,0,0,0|3,0,0]=4 2014 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [0,1,0,0,0,0|3,0,0]=4 2015 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,1,0,0,0,0|3,0,0]=4 2016 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,1,0,0,0,0|3,0,0]=4 2017 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [0,1,0,0,0,0|3,0,0]=4 2018 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [0,1,0,0,0,0|3,0,0]=4 2019 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,1,0,0,0,0|1,0,0]=2 2020 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,1,0,0,0,0|2,0,0]=3 2021 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,1,0,0,0,0|2,0,0]=3 2022 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [0,1,0,0,0,0|3,0,0]=4 2023 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,1,0,0,0,0|3,0,0]=4 2024 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [0,1,0,0,0,0|3,0,0]=4 2025 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,1,0,0,0,0|2,0,0]=3 2026 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,1,0,0,0,0|2,0,0]=3 2027 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [0,1,0,0,0,0|3,0,0]=4 2028 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [0,1,0,0,0,0|3,0,0]=4 2029 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,1,0,0,0,0|3,0,0]=4 2030 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,1,0,0,0,0|3,0,0]=4 2031 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [0,1,0,0,0,0|3,0,0]=4 2032 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [0,1,0,0,0,0|3,0,0]=4 2033 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [0,1,0,0,0,0|3,0,0]=4 2034 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [0,1,0,0,0,0|3,0,0]=4 2035 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [0,1,0,0,0,0|1,0,1]=3 2036 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,1,0,0,0,0|2,0,1]=4 2037 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [0,1,0,0,0,0|1,0,1]=3 2038 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [0,1,0,0,0,0|1,0,1]=3 2039 B11R1.28 N#CCCSc1ccccn1 62a_100011215226_100011216584 [0,1,0,0,0,0|2,0,1]=4 2040 B11R1.28 N#CCCSc1ccccn1 62a_100011216584_100011215226 [0,1,0,0,0,0|2,0,1]=4 2041 B11R1.28 N#CCCSc1cccnc1 62a_100000210063_100011215226 [0,1,0,0,0,0|2,0,1]=4 2042 B11R1.28 N#CCCSc1cccnc1 62a_100011215226_100000210063 [0,1,0,0,0,0|2,0,1]=4 2043 B11R1.28 N#CCCSc1ccncc1 62a_100000728582_100011215226 [0,1,0,0,0,0|2,0,1]=4 2044 B11R1.28 N#CCCSc1ccncc1 62a_100011215226_100000728582 [0,1,0,0,0,0|2,0,1]=4 2045 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,1,0,0,0,0|1,0,1]=3 2046 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [0,1,0,0,0,0|1,0,1]=3 2047 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [0,1,0,0,0,0|1,0,1]=3 2048 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [0,1,0,0,0,0|1,0,1]=3 2049 B11R1.28 N#CCSCc1ccccn1 62a_100000721315_100011215382 [0,1,0,0,0,0|2,0,1]=4 2050 B11R1.28 N#CCSCc1ccccn1 62a_100011215382_100000721315 [0,1,0,0,0,0|2,0,1]=4 2051 B11R1.28 N#CCSCc1cccnc1 62a_100000741622_100011215382 [0,1,0,0,0,0|2,0,1]=4 2052 B11R1.28 N#CCSCc1cccnc1 62a_100011215382_100000741622 [0,1,0,0,0,0|2,0,1]=4 2053 B11R1.28 N#CCSCc1ccncc1 62a_100011215382_100015193705 [0,1,0,0,0,0|2,0,1]=4 2054 B11R1.28 N#CCSCc1ccncc1 62a_100015193705_100011215382 [0,1,0,0,0,0|2,0,1]=4 2055 B11R1.28 N#CSCSc1ccccc1 62a_100000211825_100000041952 [0,1,0,0,0,0|2,0,1]=4 2056 B11R1.28 N#CSCSc1ccccc1 62a_100000719477_100000211825 [0,1,0,0,0,0|2,0,1]=4 2057 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,1,0,0,0,0|1,0,0]=2 2058 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,1,0,0,0,0|2,0,0]=3 2059 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,1,0,0,0,0|2,0,0]=3 2060 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,1,0,0,0,0|3,0,0]=4 2061 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,1,0,0,0,0|3,0,0]=4 2062 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [0,1,0,0,0,0|3,0,0]=4 2063 B11R1.28 NCCOCc1ncccn1 34a_100000210304_100000703007 [0,1,0,0,0,0|3,0,0]=4 2064 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,1,0,0,0,0|2,0,0]=3 2065 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,1,0,0,0,0|2,0,0]=3 2066 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [0,1,0,0,0,0|2,0,0]=3 2067 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [0,1,0,0,0,0|2,0,0]=3 2068 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [0,1,0,0,0,0|2,0,0]=3 2069 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [0,1,0,0,0,0|2,0,0]=3 2070 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [0,1,0,0,0,0|3,0,0]=4 2071 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [0,1,0,0,0,0|3,0,0]=4 2072 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,1,0,0,0,0|3,0,0]=4 2073 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,1,0,0,0,0|3,0,0]=4 2074 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [0,1,0,0,0,0|3,0,0]=4 2075 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [0,1,0,0,0,0|3,0,0]=4 2076 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,1,0,0,0,0|2,0,0]=3 2077 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,1,0,0,0,0|2,0,0]=3 2078 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,1,0,0,0,0|2,0,0]=3 2079 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,1,0,0,0,0|3,0,0]=4 2080 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,1,0,0,0,0|3,0,0]=4 2081 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [0,1,0,0,0,0|3,0,0]=4 2082 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,1,0,0,0,0|2,0,0]=3 2083 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,1,0,0,0,0|2,0,0]=3 2084 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [0,1,0,0,0,0|3,0,0]=4 2085 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [0,1,0,0,0,0|3,0,0]=4 2086 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,1,0,0,0,0|3,0,0]=4 2087 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,1,0,0,0,0|3,0,0]=4 2088 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [0,1,0,0,0,0|3,0,0]=4 2089 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [0,1,0,0,0,0|3,0,0]=4 2090 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,1,0,0,0,0|2,0,0]=3 2091 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,1,0,0,0,0|2,0,0]=3 2092 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,1,0,0,0,0|2,0,0]=3 2093 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,1,0,0,0,0|2,0,0]=3 2094 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,1,0,0,0,0|2,0,0]=3 2095 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,1,0,0,0,0|2,0,0]=3 2096 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,1,0,0,0,0|3,0,0]=4 2097 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,1,0,0,0,0|3,0,0]=4 2098 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,1,0,0,0,0|3,0,0]=4 2099 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,1,0,0,0,0|3,0,0]=4 2100 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,1,0,0,0,0|3,0,0]=4 2101 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,1,0,0,0,0|3,0,0]=4 2102 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,1,0,0,0,0|3,0,0]=4 2103 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,1,0,0,0,0|3,0,0]=4 2104 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,1,0,0,0,0|3,0,0]=4 2105 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,1,0,0,0,0|2,0,0]=3 2107 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,1,0,0,0,0|2,0,0]=3 2108 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,1,0,0,0,0|2,0,0]=3 2109 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,1,0,0,0,0|2,0,0]=3 2110 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [0,1,0,0,0,0|3,0,0]=4 2111 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,1,0,0,0,0|3,0,0]=4 2113 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,1,0,0,0,0|3,0,0]=4 2114 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [0,1,0,0,0,0|3,0,0]=4 2115 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [0,1,0,0,0,0|3,0,0]=4 2116 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [0,1,0,0,0,0|1,0,1]=3 2117 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [0,1,0,0,0,0|1,0,1]=3 2118 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [0,1,0,0,0,0|1,0,1]=3 2119 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,1,0,0,0,0|1,0,0]=2 2120 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,1,0,0,0,0|1,0,0]=2 2121 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,1,0,0,0,0|2,0,0]=3 2122 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,1,0,0,0,0|2,0,0]=3 2123 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [0,1,0,0,0,0|2,0,0]=3 2124 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [0,1,0,0,0,0|1,0,0]=2 2125 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [0,1,0,0,0,0|1,0,0]=2 2126 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [0,1,0,0,0,0|2,0,0]=3 2127 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,1,0,0,0,0|2,0,0]=3 2128 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [0,1,0,0,0,0|1,0,0]=2 2129 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [0,1,0,0,0,0|2,0,1]=4 2130 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2131 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [0,1,0,0,0,0|2,0,1]=4 2132 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,1,0,0,0,0|2,0,0]=3 2133 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,1,0,0,0,0|2,0,0]=3 2134 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [0,1,0,0,0,0|3,0,0]=4 2135 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,1,0,0,0,0|3,0,0]=4 2136 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [0,1,0,0,0,0|3,0,0]=4 2137 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [0,1,0,0,0,0|2,0,0]=3 2138 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [0,1,0,0,0,0|3,0,0]=4 2139 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [0,1,0,0,0,0|2,0,0]=3 2140 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [0,1,0,0,0,0|2,0,0]=3 2141 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [0,1,0,0,0,0|2,0,0]=3 2142 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [0,1,0,0,0,0|3,0,0]=4 2143 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [0,1,0,0,0,0|2,0,1]=4 2144 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [0,1,0,0,0,0|2,0,1]=4 2145 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [0,1,0,0,0,0|2,0,1]=4 2146 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [0,1,0,0,0,0|2,0,0]=3 2150 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [0,1,0,0,0,0|2,0,0]=3 2151 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [0,1,0,0,0,0|2,0,0]=3 2152 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,1,0,0,0,0|2,0,0]=3 2153 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,1,0,0,0,0|2,0,0]=3 2154 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,1,0,0,0,0|2,0,0]=3 2155 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,1,0,0,0,0|2,0,0]=3 2156 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,0|2,0,1]=4 2157 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,0|3,0,0]=4 2158 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,0|3,0,0]=4 2159 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,0|3,0,0]=4 2160 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,0|2,0,1]=4 2161 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,0|3,0,0]=4 2162 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,0|2,0,1]=4 2163 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,0|2,0,1]=4 2164 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,0|2,0,1]=4 2165 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,0|3,0,0]=4 2166 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,0|3,0,0]=4 2167 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,0|3,0,0]=4 2168 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,0|3,0,0]=4 2169 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,0|2,0,0]=3 2170 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,0|2,0,0]=3 2171 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,0|2,0,0]=3 2172 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,0|2,0,0]=3 2173 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,1,0,0,0,0|2,0,0]=3 2174 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,1,0,0,0,0|2,0,0]=3 2175 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,1,0,0,0,0|3,0,0]=4 2176 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,0|2,0,1]=4 2177 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,0|3,0,0]=4 2178 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,0|3,0,0]=4 2179 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,0|3,0,0]=4 2180 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,0|3,0,0]=4 2181 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,0|3,0,0]=4 2182 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,0|3,0,0]=4 2183 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 2184 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,0|3,0,0]=4 2185 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,0|3,0,0]=4 2186 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,0|3,0,0]=4 2187 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,0|3,0,0]=4 2188 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 2189 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,0|3,0,0]=4 2190 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,0|3,0,0]=4 2191 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,0|2,0,1]=4 2192 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,0|2,0,1]=4 2193 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,0|2,0,1]=4 2194 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,0|2,0,1]=4 2195 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,0|2,0,1]=4 2196 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,0|2,0,1]=4 2197 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,0|2,0,1]=4 2198 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,0|2,0,1]=4 2199 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,0|2,0,1]=4 2200 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,0|2,0,1]=4 2201 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,1,0,0,0,0|2,0,0]=3 2202 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,0|1,0,0]=2 2203 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,0|1,0,0]=2 2204 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,1,0,0,0,0|2,0,0]=3 2205 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,1,0,0,0,0|2,0,0]=3 2206 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,1,0,0,0,0|2,0,0]=3 2207 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,1,0,0,0,0|2,0,0]=3 2208 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,1,0,0,0,0|3,0,0]=4 2209 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,1,0,0,0,0|3,0,0]=4 2210 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,0|2,0,0]=3 2211 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,0|2,0,0]=3 2212 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,0|2,0,0]=3 2213 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,0|3,0,0]=4 2214 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,0|3,0,0]=4 2215 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,0|2,0,0]=3 2216 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,0|2,0,0]=3 2217 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,0|3,0,0]=4 2218 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,0|3,0,0]=4 2219 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,1,0,0,0,0|2,0,1]=4 2220 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,1,0,0,0,0|2,0,1]=4 2221 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,0|2,0,1]=4 2222 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,1,0,0,0,0|3,0,0]=4 2223 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,1,0,0,0,0|3,0,0]=4 2224 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,1,0,0,0,0|3,0,0]=4 2225 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,1,0,0,0,0|3,0,0]=4 2226 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,1,0,0,0,0|3,0,0]=4 2227 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,1,0,0,0,0|3,0,0]=4 2228 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,1,0,0,0,0|3,0,0]=4 2229 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,1,0,0,0,0|3,0,0]=4 2230 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,1,0,0,0,0|3,0,0]=4 2231 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,1,0,0,0,0|3,0,0]=4 2232 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,0,0,0|2,0,0]=3 2233 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,0,0,0|2,0,0]=3 2234 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,0,0,0|3,0,0]=4 2235 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,0,0,0|3,0,0]=4 2236 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,0,0,0|3,0,0]=4 2237 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,0,0,0|3,0,0]=4 2238 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,0,0,0|3,0,0]=4 2239 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,0,0,0|3,0,0]=4 2240 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,0,0,0|3,0,0]=4 2241 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,1,0,0,0,0|3,0,0]=4 2242 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,0,0,0|3,0,0]=4 2243 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,0,0,0|3,0,0]=4 2244 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,0,0,0|3,0,0]=4 2245 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,0,0,0|3,0,0]=4 2246 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,1,0,0,0,0|3,0,0]=4 2247 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,1,0,0,0,0|3,0,0]=4 2248 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,1,0,0,0,0|3,0,0]=4 2249 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,1,0,0,0,0|3,0,0]=4 2250 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,1,0,0,0,0|3,0,0]=4 2251 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,1,0,0,0,0|3,0,0]=4 2252 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 2253 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 2254 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,1,0,0,0,0|3,0,0]=4 2255 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,1,0,0,0,0|3,0,0]=4 2256 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 2257 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,1,0,0,0,0|3,0,0]=4 2258 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,1,0,0,0,0|3,0,0]=4 2259 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,1,0,0,0,0|3,0,0]=4 2260 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,1,0,0,0,0|3,0,0]=4 2261 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,1,0,0,0,0|3,0,0]=4 2262 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,1,0,0,0,0|3,0,0]=4 2263 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,1,0,0,0,0|3,0,0]=4 2264 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,1,0,0,0,0|3,0,0]=4 2265 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,1,0,0,0,0|3,0,0]=4 2266 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,1,0,0,0,0|1,0,0]=2 2267 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,1,0,0,0,0|1,0,0]=2 2268 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,1,0,0,0,0|1,0,0]=2 2269 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,1,0,0,0,0|1,0,0]=2 2270 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2271 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [0,1,0,0,0,0|2,0,0]=3 2272 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [0,1,0,0,0,0|2,0,0]=3 2273 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [0,1,0,0,0,0|2,0,0]=3 2274 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [0,1,0,0,0,0|2,0,0]=3 2275 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [0,1,0,0,0,0|2,0,0]=3 2276 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [0,1,0,0,0,0|2,0,0]=3 2277 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [0,1,0,0,0,0|2,0,0]=3 2278 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [0,1,0,0,0,0|2,0,0]=3 2279 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [0,1,0,0,0,0|2,0,0]=3 2280 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [0,1,0,0,0,0|2,0,0]=3 2281 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [0,1,0,0,0,0|2,0,0]=3 2282 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,1,0,0,0,0|2,0,0]=3 2283 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,1,0,0,0,0|2,0,0]=3 2284 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,1,0,0,0,0|1,0,0]=2 2285 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,1,0,0,0,0|1,0,0]=2 2286 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2287 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [0,1,0,0,0,0|2,0,0]=3 2288 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [0,1,0,0,0,0|2,0,0]=3 2289 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [0,1,0,0,0,0|2,0,0]=3 2290 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [0,1,0,0,0,0|2,0,0]=3 2291 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [0,1,0,0,0,0|2,0,0]=3 2292 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,1,0,0,0,0|3,0,0]=4 2293 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,1,0,0,0,0|3,0,0]=4 2294 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,1,0,0,0,0|3,0,0]=4 2295 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,1,0,0,0,0|3,0,0]=4 2296 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,1,0,0,0,0|3,0,0]=4 2297 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,1,0,0,0,0|3,0,0]=4 2298 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,1,0,0,0,0|3,0,0]=4 2299 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,1,0,0,0,0|3,0,0]=4 2300 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,1,0,0,0,0|3,0,0]=4 2301 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,1,0,0,0,0|3,0,0]=4 2302 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,1,0,0,0,0|2,0,0]=3 2303 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,1,0,0,0,0|2,0,0]=3 2304 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,1,0,0,0,0|2,0,0]=3 2305 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,1,0,0,0,0|3,0,0]=4 2306 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,1,0,0,0,0|3,0,0]=4 2307 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,1,0,0,0,0|3,0,0]=4 2308 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,1,0,0,0,0|2,0,0]=3 2309 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,1,0,0,0,0|2,0,0]=3 2310 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,1,0,0,0,0|3,0,0]=4 2311 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,1,0,0,0,0|3,0,0]=4 2312 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,1,0,0,0,0|3,0,0]=4 2313 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,1,0,0,0,0|3,0,0]=4 2314 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,1,0,0,0,0|3,0,0]=4 2315 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,1,0,0,0,0|3,0,0]=4 2316 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,1,0,0,0,0|3,0,0]=4 2317 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,1,0,0,0,0|3,0,0]=4 2318 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,1,0,0,0,0|3,0,0]=4 2319 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,1,0,0,0,0|3,0,0]=4 2320 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,1,0,0,0,0|2,0,1]=4 2321 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,1,0,0,0,0|2,0,1]=4 2322 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,1,0,0,0,0|2,0,1]=4 2323 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,0,0,0|2,0,0]=3 2324 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,0,0,0|3,0,0]=4 2325 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,0,0,0|3,0,0]=4 2326 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,0,0,0|3,0,0]=4 2328 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,1,0,0,0,0|3,0,0]=4 2329 B9R0.18 C#CCCC(=O)C=CC=C 1458a_100016291481_100000753159 [0,0,1,0,0,0|3,0,0]=4 2330 B9R0.18 C=CC=CC(=O)CCC#N 1458a_100016291481_100011215226 [0,0,1,0,0,0|2,0,1]=4 2331 B9R0.18 C=CC=CC(=O)CCC=C 1458a_100016291481_100000754431 [0,0,1,0,0,0|3,0,0]=4 2332 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,0,1,0,0,0|3,0,0]=4 2333 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,0,1,0,0,0|3,0,0]=4 2334 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,0,1,0,0,0|3,0,0]=4 2335 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,0,1,0,0,0|3,0,0]=4 2336 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,0,1,0,0,0|3,0,0]=4 2337 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,0|3,0,0]=4 2338 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,0|3,0,0]=4 2339 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,0|3,0,0]=4 2340 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,0,0,1,0,0|1,0,0]=2 2341 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,0,0,1,0,0|2,0,0]=3 2342 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,0,0,1,0,0|2,0,0]=3 2343 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,0,0,1,0,0|2,0,0]=3 2344 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,0,0,1,0,0|2,0,0]=3 2345 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,0,1,0|3,0,0]=4 2346 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,0,1,0|3,0,0]=4 2347 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,0,1,0|3,0,0]=4 2348 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,0,1,0|3,0,0]=4 2349 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [0,0,0,0,1,0|3,0,0]=4 2350 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [0,0,0,0,1,0|3,0,0]=4 2351 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,0,1,0|2,0,0]=3 2352 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,0,1,0|2,0,0]=3 2353 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [0,0,0,0,1,0|2,0,0]=3 2354 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [0,0,0,0,1,0|2,0,0]=3 2355 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [0,0,0,0,1,0|2,0,0]=3 2356 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [0,0,0,0,1,0|2,0,0]=3 2357 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [0,0,0,0,1,0|2,0,0]=3 2358 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [0,0,0,0,1,0|2,0,0]=3 2359 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [0,0,0,0,1,0|2,0,0]=3 2360 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [0,0,0,0,1,0|3,0,0]=4 2361 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [0,0,0,0,1,0|3,0,0]=4 2362 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [0,0,0,0,1,0|3,0,0]=4 2363 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [0,0,0,0,1,0|3,0,0]=4 2364 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [0,0,0,0,1,0|3,0,0]=4 2365 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [0,0,0,0,1,0|2,0,0]=3 2366 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [0,0,0,0,1,0|2,0,0]=3 2367 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [0,0,0,0,1,0|2,0,0]=3 2368 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [0,0,0,0,1,0|3,0,0]=4 2369 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [0,0,0,0,1,0|3,0,0]=4 2370 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [0,0,0,0,1,0|3,0,0]=4 2371 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [0,0,0,0,1,0|3,0,0]=4 2372 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [0,0,0,0,1,0|3,0,0]=4 2373 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [0,0,0,0,1,0|3,0,0]=4 2374 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [0,0,0,0,1,0|3,0,0]=4 2375 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [0,0,0,0,1,0|3,0,0]=4 2376 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [0,0,0,0,1,0|3,0,0]=4 2377 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [0,0,0,0,1,0|3,0,0]=4 2378 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [0,0,0,0,1,0|3,0,0]=4 2379 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [0,0,0,0,1,0|3,0,0]=4 2380 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [0,0,0,0,1,0|3,0,0]=4 2381 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [0,0,0,0,1,0|3,0,0]=4 2382 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,0,1,0|2,0,0]=3 2383 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,0,1,0|2,0,0]=3 2384 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [0,0,0,0,1,0|2,0,0]=3 2385 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [0,0,0,0,1,0|2,0,0]=3 2386 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [0,0,0,0,1,0|2,0,0]=3 2387 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [0,0,0,0,1,0|2,0,0]=3 2388 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [0,0,0,0,1,0|3,0,0]=4 2389 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [0,0,0,0,1,0|3,0,0]=4 2390 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [0,0,0,0,1,0|3,0,0]=4 2391 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [0,0,0,0,1,0|2,0,0]=3 2392 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [0,0,0,0,1,0|3,0,0]=4 2393 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [0,0,0,0,1,0|3,0,0]=4 2394 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [0,0,0,0,1,0|3,0,0]=4 2395 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [0,0,0,0,1,0|3,0,0]=4 2396 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [0,0,0,0,1,0|3,0,0]=4 2397 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [0,0,0,0,1,0|3,0,0]=4 2398 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [0,0,0,0,1,0|3,0,0]=4 2399 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [0,0,0,0,1,0|3,0,0]=4 2400 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [0,0,0,0,1,0|3,0,0]=4 2401 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,1,0,0,0|2,0,0]=4 2402 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,1,0,0,0|2,0,0]=4 2403 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,1,0,0,0|2,0,0]=4 2404 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|0,0,2]=4 2405 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2406 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2407 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|1,0,0]=3 2408 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 2409 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|2,0,0]=4 2410 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|2,0,0]=4 2411 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|1,0,0]=3 2412 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|1,0,0]=3 2413 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|2,0,0]=4 2414 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|2,0,0]=4 2415 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|2,0,0]=4 2416 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|2,0,0]=4 2417 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|2,0,0]=4 2418 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|2,0,0]=4 2419 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2420 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2421 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|1,0,0]=3 2422 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 2423 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|2,0,0]=4 2424 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|2,0,0]=4 2425 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|1,0,0]=3 2426 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|1,0,0]=3 2427 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|2,0,0]=4 2428 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|2,0,0]=4 2429 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|2,0,0]=4 2430 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|2,0,0]=4 2431 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|2,0,0]=4 2432 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|2,0,0]=4 2433 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,1,0,0,0,0|1,0,0]=3 2434 B10R1.1 CCNc1ccc(cc1)Br 2230a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.1 CCNc1ccc(cc1)Br 34a_100000210018_100000210202 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.1 CCNc1ccc(cc1)Cl 2230a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.1 CCNc1ccc(cc1)Cl 34a_100000210052_100000210202 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.1 CCNc1ccc(cc1)F 34a_100000185862_100000210202 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.1 CCNc1ccc(cc1)I 34a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2443 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 2444 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [1,1,0,0,0,0|2,0,0]=4 2445 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2446 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2447 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2448 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2449 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [1,1,0,0,0,0|2,0,0]=4 2450 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 2451 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [1,1,0,0,0,0|2,0,0]=4 2452 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [1,1,0,0,0,0|2,0,0]=4 2453 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,1,0,0,0,0|2,0,0]=4 2454 B10R1.1 CCSc1ccc(cc1)Br 62a_100000210202_100000752885 [1,1,0,0,0,0|2,0,0]=4 2455 B10R1.1 CCSc1ccc(cc1)Br 62a_100000752885_100000210202 [1,1,0,0,0,0|2,0,0]=4 2456 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,1,0,0,0,0|2,0,0]=4 2457 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,1,0,0,0,0|2,0,0]=4 2458 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000210202_100000755918 [1,1,0,0,0,0|2,0,0]=4 2459 B10R1.1 CCSc1ccc(cc1)Cl 62a_100000755918_100000210202 [1,1,0,0,0,0|2,0,0]=4 2460 B10R1.1 CCSc1ccc(cc1)F 62a_100000210202_100000211213 [1,1,0,0,0,0|2,0,0]=4 2461 B10R1.1 CCSc1ccc(cc1)F 62a_100000211213_100000210202 [1,1,0,0,0,0|2,0,0]=4 2462 B10R1.1 CCSc1ccc(cc1)N 62a_100000185761_100000210202 [1,1,0,0,0,0|2,0,0]=4 2463 B10R1.1 CCSc1ccc(cc1)N 62a_100000210202_100000185761 [1,1,0,0,0,0|2,0,0]=4 2464 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,1,0,0,0,0|2,0,0]=4 2465 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,1,0,0,0,0|2,0,0]=4 2466 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,1,0,0,0,0|1,0,0]=3 2467 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 2468 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 2469 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,1,0,0,0,0|1,0,0]=3 2470 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,1,0,0,0,0|1,0,0]=3 2471 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,1,0,0,0,0|1,0,0]=3 2472 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,1,0,0,0,0|1,0,0]=3 2473 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,1,0,0,0,0|1,0,0]=3 2474 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,1,0,0,0,0|1,0,0]=3 2475 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,1,0,0,0,0|1,0,0]=3 2476 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,1,0,0,0,0|1,0,0]=3 2477 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,1,0,0,0,0|1,0,0]=3 2478 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,1,0,0,0,0|1,0,0]=3 2479 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,1,0,0,0,0|1,0,0]=3 2480 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,1,0,0,0,0|1,0,0]=3 2481 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,1,0,0,0,0|1,0,0]=3 2482 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,1,0,0,0,0|1,0,0]=3 2483 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 2484 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,1,0,0,0,0|1,0,0]=3 2485 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,1,0,0,0,0|1,0,0]=3 2486 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,1,0,0,0,0|1,0,0]=3 2487 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,1,0,0,0,0|1,0,0]=3 2488 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,1,0,0,0,0|1,0,0]=3 2489 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,1,0,0,0,0|1,0,0]=3 2490 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 2491 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 2492 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,1,0,0,0,0|1,0,0]=3 2493 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,1,0,0,0,0|1,0,0]=3 2494 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,1,0,0,0,0|1,0,0]=3 2495 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,1,0,0,0,0|1,0,0]=3 2496 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,1,0,0,0,0|1,0,0]=3 2497 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 2498 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 2499 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,1,0,0,0,0|1,0,0]=3 2500 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,1,0,0,0,0|1,0,0]=3 2501 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,1,0,0,0,0|1,0,0]=3 2502 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,1,0,0,0,0|1,0,0]=3 2503 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,1,0,0,0,0|1,0,0]=3 2504 B10R1.1 CNCc1ccc(cn1)Br 207a_100102657272_100000754260 [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.1 CNCc1ccc(cn1)Br 2230a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.1 CNCc1ccc(cn1)Br 270004a_106832991635_100000754260 [1,1,0,0,0,0|2,0,0]=4 2507 B10R1.1 CNCc1ccc(cn1)Br 34a_100015188789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2508 B10R1.1 CNCc1ccc(cn1)Br 34a_100102657272_100000702658 [1,1,0,0,0,0|2,0,0]=4 2509 B10R1.1 CNCc1ccc(cn1)Br 7a_106832991635_100000702658 [1,1,0,0,0,0|2,0,0]=4 2510 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,1,0,0,0,0|2,0,0]=4 2511 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,1,0,0,0,0|2,0,0]=4 2512 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,1,0,0,0,0|2,0,0]=4 2513 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,1,0,0,0,0|2,0,0]=4 2514 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,1,0,0,0,0|2,0,0]=4 2515 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,1,0,0,0,0|2,0,0]=4 2516 B10R1.1 CNCc1ccc(cn1)Cl 207a_100102657272_100011361569 [1,1,0,0,0,0|2,0,0]=4 2517 B10R1.1 CNCc1ccc(cn1)Cl 2230a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 2518 B10R1.1 CNCc1ccc(cn1)Cl 270004a_106832991635_100011361569 [1,1,0,0,0,0|2,0,0]=4 2519 B10R1.1 CNCc1ccc(cn1)Cl 34a_100000697193_200000210301 [1,1,0,0,0,0|2,0,0]=4 2520 B10R1.1 CNCc1ccc(cn1)Cl 34a_100102657272_100012066911 [1,1,0,0,0,0|2,0,0]=4 2521 B10R1.1 CNCc1ccc(cn1)Cl 7a_106832991635_100012066911 [1,1,0,0,0,0|2,0,0]=4 2522 B10R1.1 CNCc1ccc(cn1)F 207a_100102657272_100011934744 [1,1,0,0,0,0|2,0,0]=4 2523 B10R1.1 CNCc1ccc(cn1)F 2230a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 2524 B10R1.1 CNCc1ccc(cn1)F 270004a_106832991635_100011934744 [1,1,0,0,0,0|2,0,0]=4 2525 B10R1.1 CNCc1ccc(cn1)F 34a_100020620131_200000210301 [1,1,0,0,0,0|2,0,0]=4 2526 B10R1.1 CNCc1ccc(cn1)F 34a_100102657272_100000703193 [1,1,0,0,0,0|2,0,0]=4 2527 B10R1.1 CNCc1ccc(cn1)F 7a_106832991635_100000703193 [1,1,0,0,0,0|2,0,0]=4 2528 B10R1.1 CNCc1ccc(nc1)Br 2230a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 2529 B10R1.1 CNCc1ccc(nc1)Br 2230a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 2530 B10R1.1 CNCc1ccc(nc1)Br 34a_100009817727_200000210301 [1,1,0,0,0,0|2,0,0]=4 2531 B10R1.1 CNCc1ccc(nc1)Br 34a_100102657272_100009831999 [1,1,0,0,0,0|2,0,0]=4 2532 B10R1.1 CNCc1ccc(nc1)Br 7a_106832991635_100009831999 [1,1,0,0,0,0|2,0,0]=4 2533 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,1,0,0,0,0|2,0,0]=4 2534 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,1,0,0,0,0|2,0,0]=4 2535 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,1,0,0,0,0|2,0,0]=4 2536 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,1,0,0,0,0|2,0,0]=4 2537 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,1,0,0,0,0|2,0,0]=4 2538 B10R1.1 CNCc1ccc(nc1)Cl 2230a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2539 B10R1.1 CNCc1ccc(nc1)Cl 2230a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 2540 B10R1.1 CNCc1ccc(nc1)Cl 34a_100000735879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2541 B10R1.1 CNCc1ccc(nc1)Cl 34a_100102657272_100000735431 [1,1,0,0,0,0|2,0,0]=4 2542 B10R1.1 CNCc1ccc(nc1)Cl 7a_106832991635_100000735431 [1,1,0,0,0,0|2,0,0]=4 2543 B10R1.1 CNCc1ccc(nc1)F 2230a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2544 B10R1.1 CNCc1ccc(nc1)F 2230a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 2545 B10R1.1 CNCc1ccc(nc1)F 34a_100000101913_200000210301 [1,1,0,0,0,0|2,0,0]=4 2546 B10R1.1 CNCc1ccc(nc1)F 34a_100102657272_100000099788 [1,1,0,0,0,0|2,0,0]=4 2547 B10R1.1 CNCc1ccc(nc1)F 7a_106832991635_100009820150 [1,1,0,0,0,0|2,0,0]=4 2548 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,1,0,0,0,0|2,0,0]=4 2549 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,1,0,0,0,0|2,0,0]=4 2550 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,1,0,0,0,0|2,0,0]=4 2551 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,1,0,0,0,0|2,0,0]=4 2552 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,1,0,0,0,0|2,0,0]=4 2553 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 2554 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,1,0,0,0,0|2,0,0]=4 2555 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,1,0,0,0,0|2,0,0]=4 2556 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2557 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,1,0,0,0,0|2,0,0]=4 2558 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,1,0,0,0,0|2,0,0]=4 2559 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2560 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,1,0,0,0,0|2,0,0]=4 2561 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2562 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2563 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,1,0,0,0,0|2,0,0]=4 2564 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,1,0,0,0,0|2,0,0]=4 2565 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,1,0,0,0,0|2,0,0]=4 2566 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,1,0,0,0,0|2,0,0]=4 2567 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,1,0,0,0,0|2,0,0]=4 2568 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,1,0,0,0,0|2,0,0]=4 2569 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,1,0,0,0,0|2,0,0]=4 2570 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,1,0,0,0,0|2,0,0]=4 2571 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,1,0,0,0,0|2,0,0]=4 2572 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,1,0,0,0,0|2,0,0]=4 2573 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,1,0,0,0,0|2,0,0]=4 2574 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,1,0,0,0,0|2,0,0]=4 2576 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,1,0,0,0,0|2,0,0]=4 2577 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,1,0,0,0,0|1,0,0]=3 2578 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,1,0,0,0,0|1,0,0]=3 2579 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 2580 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,1,0,0,0,0|2,0,0]=4 2581 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,1,0,0,0,0|2,0,0]=4 2582 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,1,0,0,0,0|2,0,0]=4 2583 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,1,0,0,0,0|2,0,0]=4 2584 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,1,0,0,0,0|2,0,0]=4 2585 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,1,0,0,0,0|2,0,0]=4 2586 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,1,0,0,0,0|2,0,0]=4 2587 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,1,0,0,0,0|2,0,0]=4 2588 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,1,0,0,0,0|2,0,0]=4 2589 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,1,0,0,0,0|2,0,0]=4 2590 B10R1.1 FCNc1ccc(cc1)Br 34a_100000210018_100015361967 [1,1,0,0,0,0|2,0,0]=4 2591 B10R1.1 FCNc1ccc(cc1)Cl 34a_100000210052_100015361967 [1,1,0,0,0,0|2,0,0]=4 2592 B10R1.1 FCNc1ccc(cc1)F 34a_100000185862_100015361967 [1,1,0,0,0,0|2,0,0]=4 2593 B10R1.1 FCNc1ccc(cc1)I 34a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 2594 B10R1.1 FCOc1ccc(cc1)Br 34a_100000185759_100015361967 [1,1,0,0,0,0|2,0,0]=4 2595 B10R1.1 FCOc1ccc(cc1)Br 7a_100000185759_100015361967 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.1 FCOc1ccc(cc1)Cl 34a_100000210216_100015361967 [1,1,0,0,0,0|2,0,0]=4 2597 B10R1.1 FCOc1ccc(cc1)Cl 7a_100000210216_100015361967 [1,1,0,0,0,0|2,0,0]=4 2598 B10R1.1 FCOc1ccc(cc1)F 34a_100000210339_100015361967 [1,1,0,0,0,0|2,0,0]=4 2599 B10R1.1 FCOc1ccc(cc1)I 34a_100000212066_100015361967 [1,1,0,0,0,0|2,0,0]=4 2600 B10R1.1 FCOc1ccc(cc1)I 7a_100000212066_100015361967 [1,1,0,0,0,0|2,0,0]=4 2601 B10R1.1 FCSc1ccc(cc1)Br 62a_100000752885_100015361967 [1,1,0,0,0,0|2,0,0]=4 2602 B10R1.1 FCSc1ccc(cc1)Br 62a_100015361967_100000752885 [1,1,0,0,0,0|2,0,0]=4 2603 B10R1.1 FCSc1ccc(cc1)Cl 62a_100000755918_100015361967 [1,1,0,0,0,0|2,0,0]=4 2604 B10R1.1 FCSc1ccc(cc1)Cl 62a_100015361967_100000755918 [1,1,0,0,0,0|2,0,0]=4 2605 B10R1.1 FCSc1ccc(cc1)F 62a_100000211213_100015361967 [1,1,0,0,0,0|2,0,0]=4 2606 B10R1.1 FCSc1ccc(cc1)F 62a_100015361967_100000211213 [1,1,0,0,0,0|2,0,0]=4 2607 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,1,0,0,0,0|0,0,2]=4 2608 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,1,0,0,0,0|0,0,0]=2 2609 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,1,0,0,0,0|0,0,0]=2 2610 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [1,1,0,0,0,0|1,0,0]=3 2611 B10R1.1 Nc1ccc(cc1)OCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2612 B10R1.1 Nc1ccc(cc1)SCF 62a_100000185761_100015361967 [1,1,0,0,0,0|2,0,0]=4 2613 B10R1.1 Nc1ccc(cc1)SCF 62a_100015361967_100000185761 [1,1,0,0,0,0|2,0,0]=4 2614 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,1,0,0,0,0|1,0,1]=4 2615 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,1,0,0,0,0|1,0,0]=3 2616 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,1,0,0,0,0|2,0,0]=4 2617 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,1,0,0,0,0|2,0,0]=4 2618 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2619 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,1,0,0,0,0|2,0,0]=4 2620 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 2621 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,1,0,0,0,0|1,0,0]=3 2622 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 2623 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,1,0,0,0,0|1,0,0]=3 2624 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 2625 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,1,0,0,0,0|1,0,0]=3 2626 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 2627 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,1,0,0,0,0|1,0,0]=3 2628 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,1,0,0,0,0|1,0,0]=3 2629 B10R1.1 [13CH3]NCc1ccc(cn1)Br 34a_100015188789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2630 B10R1.1 [13CH3]NCc1ccc(cn1)Cl 34a_100000697193_200025704644 [1,1,0,0,0,0|2,0,0]=4 2631 B10R1.1 [13CH3]NCc1ccc(cn1)F 34a_100020620131_200025704644 [1,1,0,0,0,0|2,0,0]=4 2632 B10R1.1 [13CH3]NCc1ccc(nc1)Br 2230a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 2633 B10R1.1 [13CH3]NCc1ccc(nc1)Br 34a_100009817727_200025704644 [1,1,0,0,0,0|2,0,0]=4 2634 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 2230a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2635 B10R1.1 [13CH3]NCc1ccc(nc1)Cl 34a_100000735879_200025704644 [1,1,0,0,0,0|2,0,0]=4 2636 B10R1.1 [13CH3]NCc1ccc(nc1)F 2230a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2637 B10R1.1 [13CH3]NCc1ccc(nc1)F 34a_100000101913_200025704644 [1,1,0,0,0,0|2,0,0]=4 2638 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,1,0,0,0,0|2,0,0]=4 2639 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,1,0,0,0,0|2,0,0]=4 2640 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2641 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,1,0,0,0,0|2,0,0]=4 2642 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2643 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2644 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2645 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,1,0,0,0,0|2,0,0]=4 2646 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,1,0,0,0,0|2,0,0]=4 2647 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,1,0,0,0,0|2,0,0]=4 2648 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,1,0,0,0,0|2,0,0]=4 2649 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,1,0,0,0,0|2,0,0]=4 2650 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,1,0,0,0,0|2,0,0]=4 2651 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,1,0,0,0,0|2,0,0]=4 2652 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,1,0,0,0,0|2,0,0]=4 2653 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,1,0,0,0,0|2,0,0]=4 2654 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,1,0,0,0,0|2,0,0]=4 2655 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,1]=4 2656 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2657 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|2,0,0]=4 2658 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 2659 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 2660 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 2661 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|2,0,0]=4 2662 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2663 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 2664 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|2,0,0]=4 2665 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 2666 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 2667 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2668 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|2,0,0]=4 2669 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 2670 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|2,0,0]=4 2671 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 2672 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 2673 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2674 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|2,0,0]=4 2675 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|2,0,0]=4 2676 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|2,0,0]=4 2677 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|2,0,0]=4 2678 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|2,0,0]=4 2679 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|2,0,0]=4 2680 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|2,0,0]=4 2681 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|2,0,0]=4 2682 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|2,0,0]=4 2683 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|2,0,0]=4 2684 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2685 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|2,0,0]=4 2686 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|2,0,0]=4 2687 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|2,0,0]=4 2688 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|2,0,0]=4 2689 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|1,0,0]=3 2690 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 2691 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 2692 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|1,0,0]=3 2693 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|1,0,0]=3 2694 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|1,0,0]=3 2695 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|1,0,0]=3 2696 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|1,0,0]=3 2697 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,0]=3 2698 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 2699 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,0]=3 2700 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2701 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,0]=3 2702 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 2703 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|1,0,0]=3 2704 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 2705 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 2706 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|1,0,0]=3 2707 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|1,0,0]=3 2708 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|1,0,0]=3 2709 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|1,0,0]=3 2710 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|1,0,0]=3 2711 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|1,0,0]=3 2712 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 2713 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|1,0,0]=3 2714 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|1,0,0]=3 2715 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|1,0,0]=3 2716 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|1,0,0]=3 2717 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|1,0,0]=3 2718 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 2719 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|1,0,0]=3 2720 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|1,0,0]=3 2721 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|1,0,0]=3 2722 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,0]=3 2723 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,0]=3 2724 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2725 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 2726 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2727 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|2,0,0]=4 2728 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 2729 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|2,0,0]=4 2730 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 2731 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|2,0,0]=4 2732 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|2,0,0]=4 2733 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 2734 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2735 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 2736 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2737 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|2,0,0]=4 2738 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 2739 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 2740 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|2,0,0]=4 2741 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|2,0,0]=4 2742 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 2743 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|2,0,0]=4 2744 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|2,0,0]=4 2745 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|2,0,0]=4 2746 B10R1.4 CNCc1ccncc1Br 270004a_106832991635_100000755692 [1,1,0,0,0,0|2,0,0]=4 2747 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 2748 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|2,0,0]=4 2749 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 2750 B10R1.4 CNCc1ccncc1Cl 207a_100102657272_100011934409 [1,1,0,0,0,0|2,0,0]=4 2751 B10R1.4 CNCc1ccncc1Cl 2230a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 2752 B10R1.4 CNCc1ccncc1Cl 270004a_106832991635_100011934409 [1,1,0,0,0,0|2,0,0]=4 2753 B10R1.4 CNCc1ccncc1Cl 7a_106832991635_100000763264 [1,1,0,0,0,0|2,0,0]=4 2754 B10R1.4 CNCc1ccncc1F 34a_100011935246_200000210301 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.4 CNCc1cnccc1Br 270004a_106832991635_100009816821 [1,1,0,0,0,0|2,0,0]=4 2756 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|2,0,0]=4 2759 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.4 CNCc1cnccc1Cl 270004a_106832991635_100000050567 [1,1,0,0,0,0|2,0,0]=4 2762 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|2,0,0]=4 2766 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 2769 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|2,0,0]=4 2770 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2771 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|2,0,0]=4 2772 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 2773 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|2,0,0]=4 2774 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|2,0,0]=4 2775 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 2776 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|2,0,0]=4 2777 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 2778 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|2,0,0]=4 2779 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 2780 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|2,0,0]=4 2781 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|2,0,0]=4 2782 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|2,0,0]=4 2783 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 2784 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|2,0,0]=4 2785 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|2,0,0]=4 2786 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 2787 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|2,0,0]=4 2788 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|2,0,0]=4 2789 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2790 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 2791 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 2792 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 2793 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|2,0,0]=4 2794 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|2,0,0]=4 2795 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2796 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|2,0,0]=4 2797 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|2,0,0]=4 2798 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2799 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|2,0,0]=4 2800 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|2,0,0]=4 2801 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|2,0,0]=4 2802 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|2,0,0]=4 2803 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|2,0,0]=4 2804 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|2,0,0]=4 2805 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 2806 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 2807 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|2,0,0]=4 2808 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|2,0,0]=4 2809 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|2,0,0]=4 2810 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|2,0,0]=4 2811 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|2,0,0]=4 2812 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|2,0,0]=4 2813 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|2,0,0]=4 2814 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2815 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2816 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 2817 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 2818 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 2819 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|2,0,0]=4 2820 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|2,0,0]=4 2821 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|2,0,0]=4 2822 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|2,0,0]=4 2823 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|2,0,0]=4 2824 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2825 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 2826 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 2827 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 2828 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 2829 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|2,0,0]=4 2830 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|2,0,0]=4 2831 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2832 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|2,0,0]=4 2833 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|2,0,0]=4 2834 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|2,0,0]=4 2835 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 2836 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 2837 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|2,0,0]=4 2838 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|2,0,0]=4 2839 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|2,0,0]=4 2840 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|2,0,0]=4 2841 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|2,0,0]=4 2842 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|2,0,0]=4 2843 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|0,0,2]=4 2844 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|0,0,0]=2 2845 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|0,0,0]=2 2846 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 2847 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 2848 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 2849 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|2,0,0]=4 2850 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,0]=3 2851 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|2,0,0]=4 2852 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|2,0,0]=4 2853 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|2,0,0]=4 2854 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 2855 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|1,0,0]=3 2856 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 2857 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|1,0,0]=3 2858 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|1,0,0]=3 2859 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,0]=3 2860 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2861 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.4 [13CH3]NCc1ccncc1F 34a_100011935246_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|2,0,0]=4 2881 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|2,0,0]=4 2882 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|2,0,0]=4 2885 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 2886 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,0]=3 2887 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 2889 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|2,0,0]=4 2890 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|2,0,0]=4 2891 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|2,0,0]=4 2894 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 2895 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 2896 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|2,0,0]=4 2897 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 2898 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 2900 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|2,0,0]=4 2901 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 2902 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|2,0,0]=4 2903 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2904 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2905 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|2,0,0]=4 2906 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|2,0,0]=4 2907 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|2,0,0]=4 2908 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|2,0,0]=4 2909 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|2,0,0]=4 2910 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|2,0,0]=4 2911 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|2,0,0]=4 2912 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|2,0,0]=4 2913 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|2,0,0]=4 2914 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|2,0,0]=4 2915 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 2916 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|2,0,0]=4 2917 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|2,0,0]=4 2918 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|2,0,0]=4 2919 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|2,0,0]=4 2920 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|2,0,0]=4 2921 B10R1.10 CNCc1cc(ccn1)Br 2230a_106832991635_100010173614 [1,1,0,0,0,0|2,0,0]=4 2922 B10R1.10 CNCc1cc(ccn1)Br 270004a_106832991635_100009818557 [1,1,0,0,0,0|2,0,0]=4 2923 B10R1.10 CNCc1cc(ccn1)Br 34a_100102657272_100010173614 [1,1,0,0,0,0|2,0,0]=4 2924 B10R1.10 CNCc1cc(ccn1)Br 7a_106832991635_100010173614 [1,1,0,0,0,0|2,0,0]=4 2925 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|2,0,0]=4 2926 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 2927 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|2,0,0]=4 2928 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|2,0,0]=4 2929 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 2930 B10R1.10 CNCc1cc(ccn1)Cl 2230a_106832991635_100016988179 [1,1,0,0,0,0|2,0,0]=4 2931 B10R1.10 CNCc1cc(ccn1)Cl 270004a_106832991635_100011998288 [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.10 CNCc1cc(ccn1)Cl 34a_100102657272_100016988179 [1,1,0,0,0,0|2,0,0]=4 2933 B10R1.10 CNCc1cc(ccn1)Cl 7a_106832991635_100016988179 [1,1,0,0,0,0|2,0,0]=4 2934 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|2,0,0]=4 2935 B10R1.10 CNCc1cccc(=O)[nH]1 207a_100102657272_100011935257 [1,1,0,0,0,0|2,0,0]=4 2936 B10R1.10 CNCc1cccc(=O)[nH]1 2230a_100000696482_200000210301 [1,1,0,0,0,0|2,0,0]=4 2937 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|1,0,0]=3 2938 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|1,0,0]=3 2939 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|1,0,0]=3 2940 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|1,0,0]=3 2941 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|1,0,0]=3 2942 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|1,0,0]=3 2943 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|1,0,0]=3 2944 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|1,0,0]=3 2945 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,0]=3 2946 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 2947 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 2948 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,0]=3 2949 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 2950 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,0]=3 2951 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 2952 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|1,0,0]=3 2953 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|1,0,0]=3 2954 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|1,0,0]=3 2955 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|1,0,0]=3 2956 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|1,0,0]=3 2957 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|1,0,0]=3 2958 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|1,0,0]=3 2959 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|1,0,0]=3 2960 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2961 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|1,0,0]=3 2962 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|1,0,0]=3 2963 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|1,0,0]=3 2964 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|1,0,0]=3 2965 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|1,0,0]=3 2966 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|1,0,0]=3 2967 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 2968 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|1,0,0]=3 2969 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|1,0,0]=3 2970 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|1,0,0]=3 2971 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|1,0,0]=3 2972 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|1,0,0]=3 2973 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,0]=3 2974 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 2975 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,0]=3 2976 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,0]=3 2977 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,0]=3 2978 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 2979 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,0]=3 2980 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,0]=3 2981 B10R1.10 CNCc1cccc(n1)Br 2230a_100016987751_200000210301 [1,1,0,0,0,0|2,0,0]=4 2982 B10R1.10 CNCc1cccc(n1)Br 2230a_106832991635_100009889011 [1,1,0,0,0,0|2,0,0]=4 2983 B10R1.10 CNCc1cccc(n1)Br 270004a_106832991635_100000688028 [1,1,0,0,0,0|2,0,0]=4 2984 B10R1.10 CNCc1cccc(n1)Br 34a_100102657272_100009889011 [1,1,0,0,0,0|2,0,0]=4 2985 B10R1.10 CNCc1cccc(n1)Br 7a_106832991635_100009889011 [1,1,0,0,0,0|2,0,0]=4 2986 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|2,0,0]=4 2987 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 2988 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|2,0,0]=4 2989 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|2,0,0]=4 2990 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|2,0,0]=4 2991 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 2992 B10R1.10 CNCc1cccc(n1)Cl 2230a_100016990191_200000210301 [1,1,0,0,0,0|2,0,0]=4 2993 B10R1.10 CNCc1cccc(n1)Cl 2230a_106832991635_100000086093 [1,1,0,0,0,0|2,0,0]=4 2994 B10R1.10 CNCc1cccc(n1)Cl 270004a_106832991635_100011361687 [1,1,0,0,0,0|2,0,0]=4 2995 B10R1.10 CNCc1cccc(n1)Cl 34a_100102657272_100000086093 [1,1,0,0,0,0|2,0,0]=4 2996 B10R1.10 CNCc1cccc(n1)Cl 7a_106832991635_100000086093 [1,1,0,0,0,0|2,0,0]=4 2997 B10R1.10 CNCc1cccc(n1)F 2230a_100015188798_200000210301 [1,1,0,0,0,0|2,0,0]=4 2998 B10R1.10 CNCc1cccc(n1)F 2230a_106832991635_100009819644 [1,1,0,0,0,0|2,0,0]=4 2999 B10R1.10 CNCc1cccc(n1)F 270004a_106832991635_100000050434 [1,1,0,0,0,0|2,0,0]=4 3000 B10R1.10 CNCc1cccc(n1)F 34a_100015188798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3001 B10R1.10 CNCc1cccc(n1)F 34a_100102657272_100009819644 [1,1,0,0,0,0|2,0,0]=4 3002 B10R1.10 CNCc1cccc(n1)F 7a_106832991635_100009819644 [1,1,0,0,0,0|2,0,0]=4 3003 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|2,0,0]=4 3004 B10R1.10 CNCc1ccnc(c1)Br 2230a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 3005 B10R1.10 CNCc1ccnc(c1)Br 2230a_106832991635_100010243470 [1,1,0,0,0,0|2,0,0]=4 3006 B10R1.10 CNCc1ccnc(c1)Br 270004a_106832991635_100009814634 [1,1,0,0,0,0|2,0,0]=4 3007 B10R1.10 CNCc1ccnc(c1)Br 34a_100025757509_200000210301 [1,1,0,0,0,0|2,0,0]=4 3008 B10R1.10 CNCc1ccnc(c1)Br 34a_100102657272_100010243470 [1,1,0,0,0,0|2,0,0]=4 3009 B10R1.10 CNCc1ccnc(c1)Br 7a_106832991635_100010254460 [1,1,0,0,0,0|2,0,0]=4 3010 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|2,0,0]=4 3011 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 3012 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|2,0,0]=4 3013 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3014 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|2,0,0]=4 3015 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 3016 B10R1.10 CNCc1ccnc(c1)Cl 2230a_100015205668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3017 B10R1.10 CNCc1ccnc(c1)Cl 2230a_106832991635_100000764220 [1,1,0,0,0,0|2,0,0]=4 3018 B10R1.10 CNCc1ccnc(c1)Cl 270004a_106832991635_100011290808 [1,1,0,0,0,0|2,0,0]=4 3019 B10R1.10 CNCc1ccnc(c1)Cl 34a_100015205668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3020 B10R1.10 CNCc1ccnc(c1)Cl 34a_100102657272_100000764220 [1,1,0,0,0,0|2,0,0]=4 3021 B10R1.10 CNCc1ccnc(c1)Cl 7a_106832991635_100000764220 [1,1,0,0,0,0|2,0,0]=4 3022 B10R1.10 CNCc1ccnc(c1)F 2230a_100015188774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.10 CNCc1ccnc(c1)F 270004a_106832991635_100000068331 [1,1,0,0,0,0|2,0,0]=4 3024 B10R1.10 CNCc1ccnc(c1)F 34a_100015188774_200000210301 [1,1,0,0,0,0|2,0,0]=4 3025 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [1,1,0,0,0,0|2,0,0]=4 3026 B10R1.10 CNCc1cncc(c1)Br 207a_100102657272_100000687066 [1,1,0,0,0,0|2,0,0]=4 3027 B10R1.10 CNCc1cncc(c1)Br 2230a_106832991635_100000738771 [1,1,0,0,0,0|2,0,0]=4 3028 B10R1.10 CNCc1cncc(c1)Br 270004a_106832991635_100000687066 [1,1,0,0,0,0|2,0,0]=4 3029 B10R1.10 CNCc1cncc(c1)Br 34a_100102657272_100000738771 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.10 CNCc1cncc(c1)Br 7a_106832991635_100000738771 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|2,0,0]=4 3032 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 3033 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 3034 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|2,0,0]=4 3037 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 3038 B10R1.10 CNCc1cncc(c1)Cl 207a_100102657272_100000088910 [1,1,0,0,0,0|2,0,0]=4 3039 B10R1.10 CNCc1cncc(c1)Cl 2230a_106832991635_100016992070 [1,1,0,0,0,0|2,0,0]=4 3040 B10R1.10 CNCc1cncc(c1)Cl 2230a_200020614424_200000210301 [1,1,0,0,0,0|2,0,0]=4 3041 B10R1.10 CNCc1cncc(c1)Cl 270004a_106832991635_100000088910 [1,1,0,0,0,0|2,0,0]=4 3042 B10R1.10 CNCc1cncc(c1)Cl 34a_100102657272_100016992070 [1,1,0,0,0,0|2,0,0]=4 3043 B10R1.10 CNCc1cncc(c1)Cl 7a_106832991635_100016992070 [1,1,0,0,0,0|2,0,0]=4 3044 B10R1.10 CNCc1cncc(c1)F 207a_100102657272_100011361476 [1,1,0,0,0,0|2,0,0]=4 3045 B10R1.10 CNCc1cncc(c1)F 2230a_100011962886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3046 B10R1.10 CNCc1cncc(c1)F 2230a_106832991635_100000725299 [1,1,0,0,0,0|2,0,0]=4 3047 B10R1.10 CNCc1cncc(c1)F 270004a_106832991635_100011361476 [1,1,0,0,0,0|2,0,0]=4 3048 B10R1.10 CNCc1cncc(c1)F 34a_100011962886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3049 B10R1.10 CNCc1cncc(c1)F 34a_100102657272_100000725299 [1,1,0,0,0,0|2,0,0]=4 3050 B10R1.10 CNCc1cncc(c1)F 7a_106832991635_100000725299 [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|2,0,0]=4 3052 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|2,0,0]=4 3053 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|2,0,0]=4 3054 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3055 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|2,0,0]=4 3056 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3057 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 3058 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|2,0,0]=4 3059 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|2,0,0]=4 3060 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 3061 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|2,0,0]=4 3062 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|2,0,0]=4 3063 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 3064 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|2,0,0]=4 3065 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|2,0,0]=4 3068 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|2,0,0]=4 3069 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|2,0,0]=4 3073 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|2,0,0]=4 3074 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|2,0,0]=4 3075 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|2,0,0]=4 3076 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|2,0,0]=4 3077 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|2,0,0]=4 3078 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|2,0,0]=4 3079 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|2,0,0]=4 3080 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3081 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|2,0,0]=4 3082 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3083 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|2,0,0]=4 3084 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3085 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 3086 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 3087 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|2,0,0]=4 3089 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|2,0,0]=4 3090 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|2,0,0]=4 3097 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 3098 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 3099 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3100 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 3101 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 3102 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 3103 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3104 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|2,0,0]=4 3106 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|2,0,0]=4 3107 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|2,0,0]=4 3108 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|2,0,0]=4 3109 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|2,0,0]=4 3110 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|2,0,0]=4 3111 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|2,0,0]=4 3112 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|2,0,0]=4 3113 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|2,0,0]=4 3114 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|2,0,0]=4 3115 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|2,0,0]=4 3116 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|2,0,0]=4 3117 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|2,0,0]=4 3118 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|2,0,0]=4 3119 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|0,0,2]=4 3120 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|0,0,0]=2 3121 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|0,0,0]=2 3122 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3123 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3124 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|2,0,0]=4 3125 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,1]=4 3126 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,0]=3 3127 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|2,0,0]=4 3128 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|2,0,0]=4 3129 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|2,0,0]=4 3130 B10R1.10 [13CH3]NCc1cccc(=O)[nH]1 2230a_100000696482_200025704644 [1,1,0,0,0,0|2,0,0]=4 3131 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|1,0,0]=3 3132 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|1,0,0]=3 3133 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|1,0,0]=3 3134 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|1,0,0]=3 3135 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|1,0,0]=3 3136 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 3138 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|1,0,0]=3 3139 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3140 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3141 B10R1.10 [13CH3]NCc1cccc(n1)Br 2230a_100016987751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B10R1.10 [13CH3]NCc1cccc(n1)Cl 2230a_100016990191_200025704644 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.10 [13CH3]NCc1cccc(n1)F 2230a_100015188798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3144 B10R1.10 [13CH3]NCc1cccc(n1)F 34a_100015188798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.10 [13CH3]NCc1ccnc(c1)Br 2230a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 3146 B10R1.10 [13CH3]NCc1ccnc(c1)Br 34a_100025757509_200025704644 [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 2230a_100015205668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3148 B10R1.10 [13CH3]NCc1ccnc(c1)Cl 34a_100015205668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3149 B10R1.10 [13CH3]NCc1ccnc(c1)F 2230a_100015188774_200025704644 [1,1,0,0,0,0|2,0,0]=4 3150 B10R1.10 [13CH3]NCc1ccnc(c1)F 34a_100015188774_200025704644 [1,1,0,0,0,0|2,0,0]=4 3151 B10R1.10 [13CH3]NCc1cncc(c1)Cl 2230a_200020614424_200025704644 [1,1,0,0,0,0|2,0,0]=4 3152 B10R1.10 [13CH3]NCc1cncc(c1)F 2230a_100011962886_200025704644 [1,1,0,0,0,0|2,0,0]=4 3153 B10R1.10 [13CH3]NCc1cncc(c1)F 34a_100011962886_200025704644 [1,1,0,0,0,0|2,0,0]=4 3154 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3155 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3156 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 3157 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|2,0,0]=4 3158 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 3159 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3161 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|2,0,0]=4 3162 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|2,0,0]=4 3163 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|2,0,0]=4 3164 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|2,0,0]=4 3165 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|2,0,0]=4 3166 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|2,0,0]=4 3167 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|2,0,0]=4 3168 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|2,0,0]=4 3169 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|2,0,0]=4 3170 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|2,0,0]=4 3171 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3172 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|2,0,0]=4 3173 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,1,0,0,0,0|2,0,0]=4 3174 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,1,0,0,0,0|2,0,0]=4 3175 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,1,0,0,0,0|2,0,0]=4 3176 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,1,0,0,0,0|2,0,0]=4 3177 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,1,0,0,0,0|2,0,0]=4 3178 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|1,0,1]=4 3179 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 3180 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 3181 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,1,0,0,0,0|2,0,0]=4 3182 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,1,0,0,0,0|2,0,0]=4 3184 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,1,0,0,0,0|2,0,0]=4 3185 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 3186 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 3187 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,1,0,0,0,0|2,0,0]=4 3188 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3189 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3190 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|1,0,1]=4 3191 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 3192 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 3193 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|1,0,1]=4 3194 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,1,0,0,0,0|1,0,0]=3 3195 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,1,0,0,0,0|1,0,0]=3 3196 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,1,0,0,0,0|1,0,0]=3 3197 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,1,0,0,0,0|1,0,0]=3 3198 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,1,0,0,0,0|2,0,0]=4 3199 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,1,0,0,0,0|2,0,0]=4 3200 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,1,0,0,0,0|2,0,0]=4 3201 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,1,0,0,0,0|2,0,0]=4 3202 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,1,0,0,0,0|2,0,0]=4 3203 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,1,0,0,0,0|1,0,0]=3 3205 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,1,0,0,0,0|2,0,0]=4 3206 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,1,0,0,0,0|2,0,0]=4 3208 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,1,0,0,0,0|2,0,0]=4 3209 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,1,0,0,0,0|2,0,0]=4 3210 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,1,0,0,0,0|1,0,0]=3 3211 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 3212 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,1,0,0,0,0|2,0,0]=4 3213 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|1,0,1]=4 3214 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,1,0,0,0,0|1,0,1]=4 3215 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,1,0,0,0,0|2,0,0]=4 3216 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 3217 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,1,0,0,0,0|2,0,0]=4 3218 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,1,0,0,0,0|2,0,0]=4 3219 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,1,0,0,0,0|2,0,0]=4 3220 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,1,0,0,0,0|1,0,0]=3 3221 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,1,0,0,0,0|1,0,0]=3 3222 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,1,0,0,0,0|1,0,0]=3 3223 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,1,0,0,0,0|1,0,0]=3 3224 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,1,0,0,0,0|1,0,0]=3 3225 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,1,0,0,0,0|2,0,0]=4 3226 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,1,0,0,0,0|2,0,0]=4 3227 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,1,0,0,0,0|2,0,0]=4 3229 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,1,0,0,0,0|2,0,0]=4 3230 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3231 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,1,0,0,0,0|2,0,0]=4 3232 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3233 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,1,0,0,0,0|2,0,0]=4 3234 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,1,0,0,0,0|2,0,0]=4 3235 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,1,0,0,0,0|2,0,0]=4 3237 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,1,0,0,0,0|2,0,0]=4 3238 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,1,0,0,0,0|2,0,0]=4 3239 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,1,0,0,0,0|1,0,0]=3 3240 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,1,0,0,0,0|1,0,0]=3 3241 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,1,0,0,0,0|2,0,0]=4 3242 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,1,0,0,0,0|2,0,0]=4 3243 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3244 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3245 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,1,0,0,0,0|2,0,0]=4 3246 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,1,0,0,0,0|2,0,0]=4 3247 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,1,0,0,1,0|2,0,0]=4 3248 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,1,0,0,1,0|2,0,0]=4 3249 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,1,0,0,1,0|2,0,0]=4 3250 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,1,0,0,1,0|2,0,0]=4 3251 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,1,0,0,1,0|2,0,0]=4 3252 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,1,0,0,1,0|2,0,0]=4 3253 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,1,0,0,1,0|2,0,0]=4 3254 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,1,0,0,1,0|2,0,0]=4 3255 B10R1.16 CNCCc1ccc(s1)Br 2230a_100000217605_200000210301 [0,1,0,0,1,0|2,0,0]=4 3256 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,1,0,0,1,0|2,0,0]=4 3257 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,1,0,0,1,0|2,0,0]=4 3258 B10R1.16 [13CH3]NCCc1ccc(s1)Br 2230a_100000217605_200025704644 [0,1,0,0,1,0|2,0,0]=4 3259 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,0,1,0|2,0,0]=4 3260 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,0,1,0|2,0,0]=4 3261 B10R1.21 CCNCCc1cccs1 2230a_100000203755_100000210202 [0,1,0,0,1,0|2,0,0]=4 3262 B10R1.21 CCNCCc1cccs1 2230a_100015525214_100000748579 [0,1,0,0,1,0|2,0,0]=4 3263 B10R1.21 CCNCCc1cccs1 34a_100000203755_100000210202 [0,1,0,0,1,0|2,0,0]=4 3264 B10R1.21 CCNCCc1ccsc1 2230a_100000692642_100000210202 [0,1,0,0,1,0|2,0,0]=4 3265 B10R1.21 CCNCCc1ccsc1 34a_100000692642_100000210202 [0,1,0,0,1,0|2,0,0]=4 3266 B10R1.21 CCNCCn1cccc1 2230a_100015525214_200009811947 [0,1,0,0,1,0|2,0,0]=4 3267 B10R1.21 CCNCCn1cccc1 34a_100011368172_100000210202 [0,1,0,0,1,0|2,0,0]=4 3268 B10R1.21 CNCCCc1cccs1 2230a_106832991635_100010992444 [0,1,0,0,1,0|2,0,0]=4 3269 B10R1.21 CNCCCc1cccs1 34a_100102657272_100010992444 [0,1,0,0,1,0|2,0,0]=4 3270 B10R1.21 CNCCCc1cccs1 7a_106832991635_100010992444 [0,1,0,0,1,0|2,0,0]=4 3271 B10R1.21 CNCCCn1cccc1 2230a_106832991635_200009814367 [0,1,0,0,1,0|2,0,0]=4 3272 B10R1.21 CNCCCn1cccc1 34a_100102657272_200009814367 [0,1,0,0,1,0|2,0,0]=4 3273 B10R1.21 CNCCCn1cccc1 7a_106832991635_200009814367 [0,1,0,0,1,0|2,0,0]=4 3274 B10R1.21 FCNCCc1ccco1 34a_100000694680_100015361967 [0,1,0,0,1,0|2,0,0]=4 3275 B10R1.21 FCNCCc1cccs1 34a_100000203755_100015361967 [0,1,0,0,1,0|2,0,0]=4 3276 B10R1.21 FCNCCc1ccsc1 34a_100000692642_100015361967 [0,1,0,0,1,0|2,0,0]=4 3277 B10R1.21 FCNCCn1cccc1 34a_100011368172_100015361967 [0,1,0,0,1,0|2,0,0]=4 3278 B10R1.21 NCCOCc1ccsc1 34a_100000210304_100011261437 [0,1,0,0,1,0|2,0,0]=4 3279 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,1,0,0,1,0|2,0,0]=4 3280 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,1,0,0,1,0|2,0,0]=4 3281 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,1,0,0,1,0|2,0,0]=4 3282 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,1,0|2,0,0]=4 3283 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,1,0,0,1,0|2,0,0]=4 3284 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,1,0,0,1,0|2,0,0]=4 3285 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,1,0,0,1,0|2,0,0]=4 3286 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,1,0,0,1,0|2,0,0]=4 3287 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,1,0,0,1,0|2,0,0]=4 3288 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,1,0,0,1,0|2,0,0]=4 3289 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,1,0,0,1,0|2,0,0]=4 3290 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,1,0,0,1,0|2,0,0]=4 3291 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,1,0,0,1,0|2,0,0]=4 3292 B10R1.66 CN(C)CCn1cccc1 2230a_100102631434_200009811947 [0,1,0,0,1,0|2,0,0]=4 3293 B10R1.66 CN(C)CCn1cccc1 269982a_100102631434_200000035178 [0,1,0,0,1,0|2,0,0]=4 3294 B12R1.1 BrCCOCc1ccc(cc1)Br 34a_100000211926_100000189115 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.1 BrCCOCc1ccc(cc1)I 34a_100000211926_100000189116 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.1 C#CCCNc1ccc(cc1)Br 2230a_100000210018_100000688953 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.1 C#CCCNc1ccc(cc1)Br 34a_100000210018_100000688953 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.1 C#CCCNc1ccc(cc1)C 34a_100000124888_100000688953 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.1 C#CCCNc1ccc(cc1)Cl 2230a_100000210052_100000688953 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.1 C#CCCNc1ccc(cc1)Cl 34a_100000210052_100000688953 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.1 C#CCCNc1ccc(cc1)F 34a_100000185862_100000688953 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.1 C#CCCNc1ccc(cc1)I 34a_100000185761_100000688953 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.1 C#CCCNc1ccc(cc1)O 34a_100000185829_100000688953 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.1 C#CCCOc1ccc(cc1)Br 34a_100000185759_100000688953 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.1 C#CCCOc1ccc(cc1)Br 7a_100000185759_100000688953 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.1 C#CCCOc1ccc(cc1)C 34a_100000210336_100000688953 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.1 C#CCCOc1ccc(cc1)C 7a_100000210336_100000688953 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.1 C#CCCOc1ccc(cc1)Cl 34a_100000210216_100000688953 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.1 C#CCCOc1ccc(cc1)Cl 7a_100000210216_100000688953 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.1 C#CCCOc1ccc(cc1)F 34a_100000210339_100000688953 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.1 C#CCCOc1ccc(cc1)I 34a_100000212066_100000688953 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.1 C#CCCOc1ccc(cc1)I 7a_100000212066_100000688953 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.1 C#CCCOc1ccc(cc1)N 34a_100000185829_100000688953 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000688953_100000752885 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.1 C#CCCSc1ccc(cc1)Br 62a_100000752885_100000688953 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000186775_100000688953 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.1 C#CCCSc1ccc(cc1)C 62a_100000688953_100000186775 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000688953_100000755918 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.1 C#CCCSc1ccc(cc1)Cl 62a_100000755918_100000688953 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000211213_100000688953 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.1 C#CCCSc1ccc(cc1)F 62a_100000688953_100000211213 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000185761_100000688953 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.1 C#CCCSc1ccc(cc1)N 62a_100000688953_100000185761 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.1 C#CCCSc1ccc(cc1)O 62a_100000688953_100000185759 [0,2,0,0,0,0|2,0,0]=4 3325 B12R1.1 C#CCNCc1ccc(cc1)Br 2230a_100000174875_100000038162 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000174875_100000184674 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.1 C#CCNCc1ccc(cc1)Br 34a_100000212058_100000189115 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.1 C#CCNCc1ccc(cc1)C 2230a_100000174908_100000038162 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000174908_100000184674 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.1 C#CCNCc1ccc(cc1)C 34a_100000212058_100000210814 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.1 C#CCNCc1ccc(cc1)Cl 2230a_100000174871_100000038162 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000174871_100000184674 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.1 C#CCNCc1ccc(cc1)Cl 34a_100000212058_100000694040 [0,2,0,0,0,0|2,0,0]=4 3334 B12R1.1 C#CCNCc1ccc(cc1)F 2230a_100000174882_100000038162 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000174882_100000184674 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.1 C#CCNCc1ccc(cc1)F 34a_100000212058_100000198546 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.1 C#CCNCc1ccc(cc1)I 2230a_100016989417_100000038162 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100000212058_100000189116 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.1 C#CCNCc1ccc(cc1)I 34a_100016989417_100000184674 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.1 C#CCNCc1ccc(cc1)O 34a_100000185549_100000184674 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000210247_100000189115 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.1 C#CCOCc1ccc(cc1)Br 34a_100000695286_100000184674 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100000210247_100000210814 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.1 C#CCOCc1ccc(cc1)C 34a_100011215236_100000184674 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.1 C#CCOCc1ccc(cc1)C 7a_100011215236_100000038162 [0,2,0,0,0,0|2,0,0]=4 3346 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000210247_100000694040 [0,2,0,0,0,0|2,0,0]=4 3347 B12R1.1 C#CCOCc1ccc(cc1)Cl 34a_100000211118_100000184674 [0,2,0,0,0,0|2,0,0]=4 3348 B12R1.1 C#CCOCc1ccc(cc1)Cl 7a_100000211118_100000038162 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210247_100000198546 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.1 C#CCOCc1ccc(cc1)F 34a_100000210977_100000184674 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.1 C#CCOCc1ccc(cc1)F 7a_100000210977_100000038162 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000210247_100000189116 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.1 C#CCOCc1ccc(cc1)I 34a_100000690907_100000184674 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.1 C#CCOCc1ccc(cc1)I 7a_100000690907_100000038162 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.1 C#CCOCc1ccc(cc1)N 34a_100011215238_100000184674 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.1 C#CCSCc1ccc(cc1)Br 62a_100000038162_100000189115 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.1 C#CCSCc1ccc(cc1)C 62a_100000038162_100000210814 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.1 C#CCSCc1ccc(cc1)Cl 62a_100000038162_100000187161 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.1 C#CCSCc1ccc(cc1)F 62a_100000038162_100000187164 [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.1 C#CCSCc1ccc(cc1)I 62a_100000038162_100000189116 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.1 C=CCCNc1ccc(cc1)Br 2230a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 3362 B12R1.1 C=CCCNc1ccc(cc1)Br 34a_100000210018_100000754431 [0,2,0,0,0,0|2,0,0]=4 3363 B12R1.1 C=CCCNc1ccc(cc1)C 34a_100000124888_100000754431 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.1 C=CCCNc1ccc(cc1)Cl 2230a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.1 C=CCCNc1ccc(cc1)Cl 34a_100000210052_100000754431 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.1 C=CCCNc1ccc(cc1)F 34a_100000185862_100000754431 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.1 C=CCCNc1ccc(cc1)I 34a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.1 C=CCCNc1ccc(cc1)O 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.1 C=CCCOc1ccc(cc1)Br 34a_100000185759_100000754431 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.1 C=CCCOc1ccc(cc1)Br 7a_100000185759_100000754431 [0,2,0,0,0,0|2,0,0]=4 3371 B12R1.1 C=CCCOc1ccc(cc1)C 34a_100000210336_100000754431 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.1 C=CCCOc1ccc(cc1)C 7a_100000210336_100000754431 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.1 C=CCCOc1ccc(cc1)Cl 34a_100000210216_100000754431 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.1 C=CCCOc1ccc(cc1)Cl 7a_100000210216_100000754431 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.1 C=CCCOc1ccc(cc1)F 34a_100000210339_100000754431 [0,2,0,0,0,0|2,0,0]=4 3376 B12R1.1 C=CCCOc1ccc(cc1)I 34a_100000212066_100000754431 [0,2,0,0,0,0|2,0,0]=4 3377 B12R1.1 C=CCCOc1ccc(cc1)I 7a_100000212066_100000754431 [0,2,0,0,0,0|2,0,0]=4 3378 B12R1.1 C=CCCOc1ccc(cc1)N 34a_100000185829_100000754431 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.1 C=CCCOc1ccc(cc1)O 271570a_203496583355_100012049633 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000752885_100000754431 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.1 C=CCCSc1ccc(cc1)Br 62a_100000754431_100000752885 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000186775_100000754431 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.1 C=CCCSc1ccc(cc1)C 62a_100000754431_100000186775 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000754431_100000755918 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.1 C=CCCSc1ccc(cc1)Cl 62a_100000755918_100000754431 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000211213_100000754431 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.1 C=CCCSc1ccc(cc1)F 62a_100000754431_100000211213 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000185761_100000754431 [0,2,0,0,0,0|2,0,0]=4 3389 B12R1.1 C=CCCSc1ccc(cc1)N 62a_100000754431_100000185761 [0,2,0,0,0,0|2,0,0]=4 3390 B12R1.1 C=CCCSc1ccc(cc1)O 62a_100000754431_100000185759 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100000174875_100000210623 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.1 C=CCNCc1ccc(cc1)Br 2230a_100020586998_100011217064 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.1 C=CCNCc1ccc(cc1)Br 270004a_100020586998_100000186029 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.1 C=CCNCc1ccc(cc1)Br 34a_100000174875_100015514636 [0,2,0,0,0,0|2,0,0]=4 3395 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100000174908_100000210623 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.1 C=CCNCc1ccc(cc1)C 2230a_100020586998_100000210814 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.1 C=CCNCc1ccc(cc1)C 270004a_100020586998_100000211033 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.1 C=CCNCc1ccc(cc1)C 34a_100000174908_100015514636 [0,2,0,0,0,0|2,0,0]=4 3399 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210623 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.1 C=CCNCc1ccc(cc1)Cl 2230a_100020586998_100000694040 [0,2,0,0,0,0|2,0,0]=4 3401 B12R1.1 C=CCNCc1ccc(cc1)Cl 270004a_100020586998_100000189385 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.1 C=CCNCc1ccc(cc1)Cl 34a_100000174871_100015514636 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100000174882_100000210623 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.1 C=CCNCc1ccc(cc1)F 2230a_100020586998_100000198546 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.1 C=CCNCc1ccc(cc1)F 270004a_100020586998_100000210084 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.1 C=CCNCc1ccc(cc1)F 34a_100000174882_100015514636 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100016989417_100000210623 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.1 C=CCNCc1ccc(cc1)I 2230a_100020586998_100000189116 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.1 C=CCNCc1ccc(cc1)I 34a_100016989417_100015514636 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.1 C=CCNCc1ccc(cc1)O 34a_100000185549_100015514636 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_100000695286_100015514636 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.1 C=CCOCc1ccc(cc1)Br 34a_200000210373_100000189115 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.1 C=CCOCc1ccc(cc1)C 34a_100011215236_100015514636 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.1 C=CCOCc1ccc(cc1)C 34a_200000210373_100000210814 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.1 C=CCOCc1ccc(cc1)C 7a_100011215236_100015514636 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_100000211118_100015514636 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.1 C=CCOCc1ccc(cc1)Cl 34a_200000210373_100000694040 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.1 C=CCOCc1ccc(cc1)Cl 7a_100000211118_100015514636 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.1 C=CCOCc1ccc(cc1)F 34a_100000210977_100015514636 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.1 C=CCOCc1ccc(cc1)F 34a_200000210373_100000198546 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.1 C=CCOCc1ccc(cc1)F 7a_100000210977_100015514636 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.1 C=CCOCc1ccc(cc1)I 34a_100000690907_100015514636 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.1 C=CCOCc1ccc(cc1)I 34a_200000210373_100000189116 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.1 C=CCOCc1ccc(cc1)I 7a_100000690907_100015514636 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.1 C=CCOCc1ccc(cc1)N 34a_100011215238_100015514636 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000189115_100000210623 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.1 C=CCSCc1ccc(cc1)Br 62a_100000210623_100000189115 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210623_100000210814 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.1 C=CCSCc1ccc(cc1)C 62a_100000210814_100000210623 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000187161_100000210623 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.1 C=CCSCc1ccc(cc1)Cl 62a_100000210623_100000187161 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000198546_100000210623 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.1 C=CCSCc1ccc(cc1)F 62a_100000210623_100000187164 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000189116_100000210623 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.1 C=CCSCc1ccc(cc1)I 62a_100000210623_100000189116 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.1 CCCCNc1ccc(cc1)Br 2230a_100000210018_100000210211 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.1 CCCCNc1ccc(cc1)Br 34a_100000210018_100000210210 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.1 CCCCNc1ccc(cc1)C 34a_100000124888_100000210210 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.1 CCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210211 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.1 CCCCNc1ccc(cc1)Cl 34a_100000210052_100000210210 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.1 CCCCNc1ccc(cc1)F 34a_100000185862_100000210210 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.1 CCCCNc1ccc(cc1)I 34a_100000185761_100000210210 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.1 CCCCNc1ccc(cc1)O 34a_100000185829_100000210210 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.1 CCCCOc1ccc(cc1)Br 34a_100000185759_100000210210 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.1 CCCCOc1ccc(cc1)Br 7a_100000185759_100000210211 [0,2,0,0,0,0|2,0,0]=4 3447 B12R1.1 CCCCOc1ccc(cc1)C 34a_100000210336_100000210210 [0,2,0,0,0,0|2,0,0]=4 3448 B12R1.1 CCCCOc1ccc(cc1)C 7a_100000210336_100000210211 [0,2,0,0,0,0|2,0,0]=4 3449 B12R1.1 CCCCOc1ccc(cc1)Cl 34a_100000210216_100000210210 [0,2,0,0,0,0|2,0,0]=4 3450 B12R1.1 CCCCOc1ccc(cc1)Cl 7a_100000210216_100000210211 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.1 CCCCOc1ccc(cc1)F 34a_100000210339_100000210210 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.1 CCCCOc1ccc(cc1)I 34a_100000212066_100000210210 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.1 CCCCOc1ccc(cc1)I 7a_100000212066_100000210211 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.1 CCCCOc1ccc(cc1)N 34a_100000185829_100000210210 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.1 CCCCOc1ccc(cc1)O 271570a_203496583355_100000230682 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000210211_100000752885 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.1 CCCCSc1ccc(cc1)Br 62a_100000752885_100000210210 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000186775_100000210210 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.1 CCCCSc1ccc(cc1)C 62a_100000210211_100000186775 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000210211_100000755918 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.1 CCCCSc1ccc(cc1)Cl 62a_100000755918_100000210210 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000210211_100000211213 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.1 CCCCSc1ccc(cc1)F 62a_100000211213_100000210210 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000185761_100000210210 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.1 CCCCSc1ccc(cc1)N 62a_100000210211_100000185761 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.1 CCCCSc1ccc(cc1)O 62a_100000210211_100000185759 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,2,0,0,0,0|2,0,0]=4 3472 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,2,0,0,0,0|2,0,0]=4 3473 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,2,0,0,0,0|2,0,0]=4 3474 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,2,0,0,0,0|2,0,0]=4 3475 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,2,0,0,0,0|2,0,0]=4 3476 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,2,0,0,0,0|2,0,0]=4 3491 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,2,0,0,0,0|2,0,0]=4 3502 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100000755846_100000210202 [0,2,0,0,0,0|1,0,0]=3 3513 B12R1.1 CCNCCc1ccc(cc1)Br 2230a_100015525214_100011740612 [0,2,0,0,0,0|1,0,0]=3 3514 B12R1.1 CCNCCc1ccc(cc1)Br 34a_100000755846_100000210202 [0,2,0,0,0,0|1,0,0]=3 3515 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100000705350_100000210202 [0,2,0,0,0,0|1,0,0]=3 3516 B12R1.1 CCNCCc1ccc(cc1)C 2230a_100015525214_100011713686 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.1 CCNCCc1ccc(cc1)C 34a_100000705350_100000210202 [0,2,0,0,0,0|1,0,0]=3 3518 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210202 [0,2,0,0,0,0|1,0,0]=3 3519 B12R1.1 CCNCCc1ccc(cc1)Cl 2230a_100015525214_100011713675 [0,2,0,0,0,0|1,0,0]=3 3520 B12R1.1 CCNCCc1ccc(cc1)Cl 34a_100000185265_100000210202 [0,2,0,0,0,0|1,0,0]=3 3521 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100000199005_100000210202 [0,2,0,0,0,0|1,0,0]=3 3522 B12R1.1 CCNCCc1ccc(cc1)F 2230a_100015525214_100011217392 [0,2,0,0,0,0|1,0,0]=3 3523 B12R1.1 CCNCCc1ccc(cc1)F 34a_100000199005_100000210202 [0,2,0,0,0,0|1,0,0]=3 3524 B12R1.1 CCNCCc1ccc(cc1)O 2230a_100015525214_100009816426 [0,2,0,0,0,0|1,0,0]=3 3525 B12R1.1 CCNCCc1ccc(cc1)O 34a_100000743037_100000210202 [0,2,0,0,0,0|1,0,0]=3 3526 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100000766406_100000210202 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.1 CCOCCc1ccc(cc1)Br 34a_100121572206_100011740612 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.1 CCOCCc1ccc(cc1)Br 7a_100000766406_100000210202 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.1 CCOCCc1ccc(cc1)C 34a_100000756670_100000210202 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.1 CCOCCc1ccc(cc1)C 34a_100121572206_100011713686 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.1 CCOCCc1ccc(cc1)C 7a_100000756670_100000210202 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100011219627_100000210202 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.1 CCOCCc1ccc(cc1)Cl 34a_100121572206_100011713675 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.1 CCOCCc1ccc(cc1)Cl 7a_100011219627_100000210202 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.1 CCOCCc1ccc(cc1)F 34a_100000754732_100000210202 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.1 CCOCCc1ccc(cc1)F 34a_100121572206_100011217392 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.1 CCOCCc1ccc(cc1)F 7a_100000754732_100000210202 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.1 CCOCCc1ccc(cc1)I 34a_100012291149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3539 B12R1.1 CCOCCc1ccc(cc1)I 7a_100012291149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3540 B12R1.1 CCOCCc1ccc(cc1)N 34a_100011204434_100000210202 [0,2,0,0,0,0|2,0,0]=4 3541 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100000210202_100011740612 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.1 CCSCCc1ccc(cc1)Br 62a_100011740612_100000210202 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.1 CCSCCc1ccc(cc1)C 62a_100000210202_100011713686 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.1 CCSCCc1ccc(cc1)C 62a_100011713686_100000210202 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100000210202_100011713675 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.1 CCSCCc1ccc(cc1)Cl 62a_100011713675_100000210202 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.1 CCSCCc1ccc(cc1)F 62a_100000210202_100011217392 [0,2,0,0,0,0|2,0,0]=4 3548 B12R1.1 CCSCCc1ccc(cc1)F 62a_100011217392_100000210202 [0,2,0,0,0,0|2,0,0]=4 3549 B12R1.1 CCSCCc1ccc(cc1)O 62a_100000210202_100009816426 [0,2,0,0,0,0|2,0,0]=4 3550 B12R1.1 CCSCCc1ccc(cc1)O 62a_100009816426_100000210202 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.1 CNCC#Cc1ccc(cc1)Br 2230a_106832991635_100010706785 [0,2,0,0,0,0|1,0,1]=4 3552 B12R1.1 CNCC#Cc1ccc(cc1)Br 34a_100102657272_100010706785 [0,2,0,0,0,0|1,0,1]=4 3553 B12R1.1 CNCC#Cc1ccc(cc1)Br 7a_106832991635_100010706785 [0,2,0,0,0,0|1,0,1]=4 3554 B12R1.1 CNCC#Cc1ccc(cc1)Cl 2230a_100011352944_200000210301 [0,2,0,0,0,0|1,0,1]=4 3555 B12R1.1 CNCC#Cc1ccc(cc1)Cl 34a_100011352944_200000210301 [0,2,0,0,0,0|1,0,1]=4 3556 B12R1.1 CNCC#Cc1ccc(cc1)F 2230a_106832991635_100010402171 [0,2,0,0,0,0|1,0,1]=4 3557 B12R1.1 CNCC#Cc1ccc(cc1)F 34a_100102657272_100010402171 [0,2,0,0,0,0|1,0,1]=4 3558 B12R1.1 CNCC#Cc1ccc(cc1)F 7a_106832991635_100010402171 [0,2,0,0,0,0|1,0,1]=4 3559 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [0,2,0,0,0,0|1,0,1]=4 3560 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [0,2,0,0,0,0|1,0,1]=4 3561 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [0,2,0,0,0,0|1,0,1]=4 3562 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [0,2,0,0,0,0|1,0,1]=4 3563 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 3564 B12R1.1 CNCCCc1ccc(cc1)Br 2230a_106832991635_100011713682 [0,2,0,0,0,0|1,0,0]=3 3565 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 3566 B12R1.1 CNCCCc1ccc(cc1)Br 34a_100102657272_100011713682 [0,2,0,0,0,0|1,0,0]=3 3567 B12R1.1 CNCCCc1ccc(cc1)Br 7a_106832991635_100011713682 [0,2,0,0,0,0|1,0,0]=3 3568 B12R1.1 CNCCCc1ccc(cc1)C 2230a_100011236272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3569 B12R1.1 CNCCCc1ccc(cc1)C 34a_100011236272_200000210301 [0,2,0,0,0,0|1,0,0]=3 3570 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_100000748451_200000210301 [0,2,0,0,0,0|1,0,0]=3 3571 B12R1.1 CNCCCc1ccc(cc1)Cl 2230a_106832991635_100000759440 [0,2,0,0,0,0|1,0,0]=3 3572 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100000748451_200000210301 [0,2,0,0,0,0|1,0,0]=3 3573 B12R1.1 CNCCCc1ccc(cc1)Cl 34a_100102657272_100000759440 [0,2,0,0,0,0|1,0,0]=3 3574 B12R1.1 CNCCCc1ccc(cc1)Cl 7a_106832991635_100000759440 [0,2,0,0,0,0|1,0,0]=3 3575 B12R1.1 CNCCCc1ccc(cc1)F 2230a_100025745824_200000210301 [0,2,0,0,0,0|1,0,0]=3 3576 B12R1.1 CNCCCc1ccc(cc1)F 2230a_106832991635_200011713563 [0,2,0,0,0,0|1,0,0]=3 3577 B12R1.1 CNCCCc1ccc(cc1)F 34a_100025745824_200000210301 [0,2,0,0,0,0|1,0,0]=3 3578 B12R1.1 CNCCCc1ccc(cc1)F 34a_100102657272_200011713563 [0,2,0,0,0,0|1,0,0]=3 3579 B12R1.1 CNCCCc1ccc(cc1)F 7a_106832991635_200011713563 [0,2,0,0,0,0|1,0,0]=3 3580 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 3581 B12R1.1 CNCCOc1ccc(cc1)Br 2230a_106832991635_100000183278 [0,2,0,0,0,0|1,0,0]=3 3582 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100000746992_200000210301 [0,2,0,0,0,0|1,0,0]=3 3583 B12R1.1 CNCCOc1ccc(cc1)Br 34a_100102657272_100000183278 [0,2,0,0,0,0|1,0,0]=3 3584 B12R1.1 CNCCOc1ccc(cc1)Br 7a_106832991635_100000183278 [0,2,0,0,0,0|1,0,0]=3 3585 B12R1.1 CNCCOc1ccc(cc1)C 2230a_100020666663_200000210301 [0,2,0,0,0,0|1,0,0]=3 3586 B12R1.1 CNCCOc1ccc(cc1)C 2230a_106832991635_100000183172 [0,2,0,0,0,0|1,0,0]=3 3587 B12R1.1 CNCCOc1ccc(cc1)C 34a_100020666663_200000210301 [0,2,0,0,0,0|1,0,0]=3 3588 B12R1.1 CNCCOc1ccc(cc1)C 34a_100102657272_100000183172 [0,2,0,0,0,0|1,0,0]=3 3589 B12R1.1 CNCCOc1ccc(cc1)C 7a_106832991635_100000183172 [0,2,0,0,0,0|1,0,0]=3 3590 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_100000697975_200000210301 [0,2,0,0,0,0|1,0,0]=3 3591 B12R1.1 CNCCOc1ccc(cc1)Cl 2230a_106832991635_100000184122 [0,2,0,0,0,0|1,0,0]=3 3592 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100000697975_200000210301 [0,2,0,0,0,0|1,0,0]=3 3593 B12R1.1 CNCCOc1ccc(cc1)Cl 34a_100102657272_100000184122 [0,2,0,0,0,0|1,0,0]=3 3594 B12R1.1 CNCCOc1ccc(cc1)Cl 7a_106832991635_100000184122 [0,2,0,0,0,0|1,0,0]=3 3595 B12R1.1 CNCCOc1ccc(cc1)F 2230a_100000737420_200000210301 [0,2,0,0,0,0|1,0,0]=3 3596 B12R1.1 CNCCOc1ccc(cc1)F 2230a_106832991635_100000184936 [0,2,0,0,0,0|1,0,0]=3 3597 B12R1.1 CNCCOc1ccc(cc1)F 34a_100000737420_200000210301 [0,2,0,0,0,0|1,0,0]=3 3598 B12R1.1 CNCCOc1ccc(cc1)F 34a_100102657272_100000184936 [0,2,0,0,0,0|1,0,0]=3 3599 B12R1.1 CNCCOc1ccc(cc1)F 7a_106832991635_100000184936 [0,2,0,0,0,0|1,0,0]=3 3600 B12R1.1 CNCCSc1ccc(cc1)Br 2230a_100000184645_200000210301 [0,2,0,0,0,0|1,0,0]=3 3601 B12R1.1 CNCCSc1ccc(cc1)C 2230a_100000739754_200000210301 [0,2,0,0,0,0|1,0,0]=3 3602 B12R1.1 CNCCSc1ccc(cc1)Cl 2230a_100000174974_200000210301 [0,2,0,0,0,0|1,0,0]=3 3603 B12R1.1 COCCCc1ccc(cc1)Br 34a_100011709247_200000210301 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.1 COCCCc1ccc(cc1)Br 34a_100138415774_100011713682 [0,2,0,0,0,0|2,0,0]=4 3605 B12R1.1 COCCCc1ccc(cc1)Br 7a_100011709247_200000210301 [0,2,0,0,0,0|2,0,0]=4 3606 B12R1.1 COCCCc1ccc(cc1)C 34a_100000189427_200000210301 [0,2,0,0,0,0|2,0,0]=4 3607 B12R1.1 COCCCc1ccc(cc1)C 7a_100000189427_200000210301 [0,2,0,0,0,0|2,0,0]=4 3608 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100011217485_200000210301 [0,2,0,0,0,0|2,0,0]=4 3609 B12R1.1 COCCCc1ccc(cc1)Cl 34a_100138415774_100000759440 [0,2,0,0,0,0|2,0,0]=4 3610 B12R1.1 COCCCc1ccc(cc1)Cl 7a_100011217485_200000210301 [0,2,0,0,0,0|2,0,0]=4 3611 B12R1.1 COCCCc1ccc(cc1)F 34a_100000757351_200000210301 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.1 COCCCc1ccc(cc1)F 34a_100138415774_200011713563 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.1 COCCCc1ccc(cc1)F 7a_100000757351_200000210301 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.1 COCCNc1ccc(cc1)Br 2230a_100000210018_100011201679 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.1 COCCNc1ccc(cc1)Br 34a_100000210018_100011201679 [0,2,0,0,0,0|2,0,0]=4 3616 B12R1.1 COCCNc1ccc(cc1)C 34a_100000124888_100011201679 [0,2,0,0,0,0|2,0,0]=4 3617 B12R1.1 COCCNc1ccc(cc1)Cl 2230a_100000210052_100011201679 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.1 COCCNc1ccc(cc1)Cl 34a_100000210052_100011201679 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.1 COCCNc1ccc(cc1)F 34a_100000185862_100011201679 [0,2,0,0,0,0|2,0,0]=4 3620 B12R1.1 COCCNc1ccc(cc1)I 34a_100000185761_100011201679 [0,2,0,0,0,0|2,0,0]=4 3621 B12R1.1 COCCNc1ccc(cc1)O 34a_100000185829_100011201679 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000185759_100011201679 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.1 COCCOc1ccc(cc1)Br 34a_100000686261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.1 COCCOc1ccc(cc1)Br 34a_100138415774_100000183278 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000185759_100000233755 [0,2,0,0,0,0|2,0,0]=4 3626 B12R1.1 COCCOc1ccc(cc1)Br 7a_100000686261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3627 B12R1.1 COCCOc1ccc(cc1)C 34a_100000210336_100011201679 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.1 COCCOc1ccc(cc1)C 34a_100011219107_200000210301 [0,2,0,0,0,0|2,0,0]=4 3629 B12R1.1 COCCOc1ccc(cc1)C 34a_100138415774_100000183172 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.1 COCCOc1ccc(cc1)C 7a_100000210336_100000233755 [0,2,0,0,0,0|2,0,0]=4 3631 B12R1.1 COCCOc1ccc(cc1)C 7a_100011219107_200000210301 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000210216_100011201679 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100000237962_200000210301 [0,2,0,0,0,0|2,0,0]=4 3634 B12R1.1 COCCOc1ccc(cc1)Cl 34a_100138415774_100000184122 [0,2,0,0,0,0|2,0,0]=4 3635 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000210216_100000233755 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.1 COCCOc1ccc(cc1)Cl 7a_100000237962_200000210301 [0,2,0,0,0,0|2,0,0]=4 3637 B12R1.1 COCCOc1ccc(cc1)F 34a_100000210339_100011201679 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.1 COCCOc1ccc(cc1)F 34a_100138415774_100000184936 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.1 COCCOc1ccc(cc1)I 34a_100000212066_100011201679 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.1 COCCOc1ccc(cc1)I 7a_100000212066_100000233755 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.1 COCCOc1ccc(cc1)N 34a_100000185829_100011201679 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.1 COCCOc1ccc(cc1)N 34a_100000754363_200000210301 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.1 COCCOc1ccc(cc1)O 271570a_203496583355_100000234135 [0,2,0,0,0,0|2,0,0]=4 3644 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000233755_100000752885 [0,2,0,0,0,0|2,0,0]=4 3645 B12R1.1 COCCSc1ccc(cc1)Br 62a_100000752885_100000233755 [0,2,0,0,0,0|2,0,0]=4 3646 B12R1.1 COCCSc1ccc(cc1)C 34a_200000230582_200000210301 [0,2,0,0,0,0|2,0,0]=4 3647 B12R1.1 COCCSc1ccc(cc1)C 62a_100000186775_100000233755 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.1 COCCSc1ccc(cc1)C 62a_100000233755_100000186775 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.1 COCCSc1ccc(cc1)C 7a_200000230582_200000210301 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.1 COCCSc1ccc(cc1)Cl 34a_100000230527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000233755_100000755918 [0,2,0,0,0,0|2,0,0]=4 3652 B12R1.1 COCCSc1ccc(cc1)Cl 62a_100000755918_100000233755 [0,2,0,0,0,0|2,0,0]=4 3653 B12R1.1 COCCSc1ccc(cc1)Cl 7a_100000230527_200000210301 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.1 COCCSc1ccc(cc1)F 34a_200000230679_200000210301 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.1 COCCSc1ccc(cc1)F 62a_100000211213_100000233755 [0,2,0,0,0,0|2,0,0]=4 3656 B12R1.1 COCCSc1ccc(cc1)F 62a_100000233755_100000211213 [0,2,0,0,0,0|2,0,0]=4 3657 B12R1.1 COCCSc1ccc(cc1)F 7a_200000230679_200000210301 [0,2,0,0,0,0|2,0,0]=4 3658 B12R1.1 COCCSc1ccc(cc1)N 62a_100000185761_100000233755 [0,2,0,0,0,0|2,0,0]=4 3659 B12R1.1 COCCSc1ccc(cc1)N 62a_100000233755_100000185761 [0,2,0,0,0,0|2,0,0]=4 3660 B12R1.1 COCCSc1ccc(cc1)O 271570a_203496583355_200009813259 [0,2,0,0,0,0|2,0,0]=4 3661 B12R1.1 COCCSc1ccc(cc1)O 62a_100000233755_100000185759 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,2,0,0,0,0|2,0,0]=4 3664 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,2,0,0,0,0|2,0,0]=4 3665 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,2,0,0,0,0|2,0,0]=4 3666 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,2,0,0,0,0|2,0,0]=4 3667 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000189115_100000766300 [0,2,0,0,0,0|2,0,0]=4 3668 B12R1.1 COCSCc1ccc(cc1)Br 62a_100000766300_100000189115 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.1 COCSCc1ccc(cc1)C 62a_100000210814_100000766300 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.1 COCSCc1ccc(cc1)C 62a_100000766300_100000210814 [0,2,0,0,0,0|2,0,0]=4 3671 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000187161_100000766300 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.1 COCSCc1ccc(cc1)Cl 62a_100000766300_100000187161 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.1 COCSCc1ccc(cc1)F 62a_100000198546_100000766300 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.1 COCSCc1ccc(cc1)F 62a_100000766300_100000187164 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.1 COCSCc1ccc(cc1)I 62a_100000189116_100000766300 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.1 COCSCc1ccc(cc1)I 62a_100000766300_100000189116 [0,2,0,0,0,0|2,0,0]=4 3677 B12R1.1 CSCCCc1ccc(cc1)Br 62a_100011713682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3678 B12R1.1 CSCCCc1ccc(cc1)Br 62a_200000210301_100011713682 [0,2,0,0,0,0|2,0,0]=4 3679 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_100000759440_200000210301 [0,2,0,0,0,0|2,0,0]=4 3680 B12R1.1 CSCCCc1ccc(cc1)Cl 62a_200000210301_100000759440 [0,2,0,0,0,0|2,0,0]=4 3681 B12R1.1 CSCCCc1ccc(cc1)F 62a_200000210301_200011713563 [0,2,0,0,0,0|2,0,0]=4 3682 B12R1.1 CSCCCc1ccc(cc1)F 62a_200011713563_200000210301 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.1 CSCCNc1ccc(cc1)Br 2230a_100000210018_100000751147 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.1 CSCCNc1ccc(cc1)Br 34a_100000210018_100000212216 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.1 CSCCNc1ccc(cc1)C 34a_100000124888_100000212216 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.1 CSCCNc1ccc(cc1)Cl 2230a_100000210052_100000751147 [0,2,0,0,0,0|2,0,0]=4 3687 B12R1.1 CSCCNc1ccc(cc1)Cl 34a_100000210052_100000212216 [0,2,0,0,0,0|2,0,0]=4 3688 B12R1.1 CSCCNc1ccc(cc1)F 34a_100000185862_100000212216 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.1 CSCCNc1ccc(cc1)I 34a_100000185761_100000212216 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.1 CSCCNc1ccc(cc1)O 34a_100000185829_100000212216 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.1 CSCCOc1ccc(cc1)Br 34a_100000185759_100000212216 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.1 CSCCOc1ccc(cc1)Br 62a_100000183278_200000210301 [0,2,0,0,0,0|2,0,0]=4 3693 B12R1.1 CSCCOc1ccc(cc1)Br 62a_200000210301_100000183278 [0,2,0,0,0,0|2,0,0]=4 3694 B12R1.1 CSCCOc1ccc(cc1)Br 7a_100000185759_100000212216 [0,2,0,0,0,0|2,0,0]=4 3695 B12R1.1 CSCCOc1ccc(cc1)C 34a_100000210336_100000212216 [0,2,0,0,0,0|2,0,0]=4 3696 B12R1.1 CSCCOc1ccc(cc1)C 62a_100000183172_200000210301 [0,2,0,0,0,0|2,0,0]=4 3697 B12R1.1 CSCCOc1ccc(cc1)C 62a_200000210301_100000183172 [0,2,0,0,0,0|2,0,0]=4 3698 B12R1.1 CSCCOc1ccc(cc1)C 7a_100000210336_100000212216 [0,2,0,0,0,0|2,0,0]=4 3699 B12R1.1 CSCCOc1ccc(cc1)Cl 34a_100000210216_100000212216 [0,2,0,0,0,0|2,0,0]=4 3700 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_100000184122_200000210301 [0,2,0,0,0,0|2,0,0]=4 3701 B12R1.1 CSCCOc1ccc(cc1)Cl 62a_200000210301_100000184122 [0,2,0,0,0,0|2,0,0]=4 3702 B12R1.1 CSCCOc1ccc(cc1)Cl 7a_100000210216_100000212216 [0,2,0,0,0,0|2,0,0]=4 3703 B12R1.1 CSCCOc1ccc(cc1)F 34a_100000210339_100000212216 [0,2,0,0,0,0|2,0,0]=4 3704 B12R1.1 CSCCOc1ccc(cc1)F 62a_100000184936_200000210301 [0,2,0,0,0,0|2,0,0]=4 3705 B12R1.1 CSCCOc1ccc(cc1)F 62a_200000210301_100000184936 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.1 CSCCOc1ccc(cc1)I 34a_100000212066_100000212216 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.1 CSCCOc1ccc(cc1)I 7a_100000212066_100000212216 [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.1 CSCCOc1ccc(cc1)N 34a_100000185829_100000212216 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000212216_100000752885 [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.1 CSCCSc1ccc(cc1)Br 62a_100000752885_100000751147 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000186775_100000751147 [0,2,0,0,0,0|2,0,0]=4 3712 B12R1.1 CSCCSc1ccc(cc1)C 62a_100000212216_100000186775 [0,2,0,0,0,0|2,0,0]=4 3713 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000212216_100000755918 [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.1 CSCCSc1ccc(cc1)Cl 62a_100000755918_100000751147 [0,2,0,0,0,0|2,0,0]=4 3715 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000211213_100000751147 [0,2,0,0,0,0|2,0,0]=4 3716 B12R1.1 CSCCSc1ccc(cc1)F 62a_100000212216_100000211213 [0,2,0,0,0,0|2,0,0]=4 3717 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000185761_100000751147 [0,2,0,0,0,0|2,0,0]=4 3718 B12R1.1 CSCCSc1ccc(cc1)N 62a_100000212216_100000185761 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.1 CSCCSc1ccc(cc1)O 62a_100000212216_100000185759 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,2,0,0,0,0|2,0,0]=4 3725 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,2,0,0,0,0|2,0,0]=4 3726 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,2,0,0,0,0|2,0,0]=4 3727 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.1 CSCOCc1ccc(cc1)Br 34a_100000695286_100011218213 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.1 CSCOCc1ccc(cc1)C 34a_100011215236_100011218213 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.1 CSCOCc1ccc(cc1)Cl 34a_100000211118_100011218213 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.1 CSCOCc1ccc(cc1)F 34a_100000210977_100011218213 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.1 CSCOCc1ccc(cc1)I 34a_100000690907_100011218213 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.1 CSCOCc1ccc(cc1)N 34a_100011215238_100011218213 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100000189115_100011218213 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.1 CSCSCc1ccc(cc1)Br 62a_100011218213_100000189115 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.1 CSCSCc1ccc(cc1)C 62a_100000210814_100011218213 [0,2,0,0,0,0|2,0,0]=4 3740 B12R1.1 CSCSCc1ccc(cc1)C 62a_100011218213_100000210814 [0,2,0,0,0,0|2,0,0]=4 3741 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100000187161_100011218213 [0,2,0,0,0,0|2,0,0]=4 3742 B12R1.1 CSCSCc1ccc(cc1)Cl 62a_100011218213_100000187161 [0,2,0,0,0,0|2,0,0]=4 3743 B12R1.1 CSCSCc1ccc(cc1)F 62a_100000198546_100011218213 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.1 CSCSCc1ccc(cc1)F 62a_100011218213_100000187164 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.1 CSCSCc1ccc(cc1)I 62a_100000189116_100011218213 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.1 CSCSCc1ccc(cc1)I 62a_100011218213_100000189116 [0,2,0,0,0,0|2,0,0]=4 3747 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 2230a_100011236272_200025704644 [0,2,0,0,0,0|1,0,0]=3 3748 B12R1.1 Cc1ccc(cc1)CCCN[13CH3] 34a_100011236272_200025704644 [0,2,0,0,0,0|1,0,0]=3 3749 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 34a_100000189427_200025704644 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.1 Cc1ccc(cc1)CCCO[13CH3] 7a_100000189427_200025704644 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.1 Cc1ccc(cc1)CCNCF 34a_100000705350_100015361967 [0,2,0,0,0,0|1,0,0]=3 3752 B12R1.1 Cc1ccc(cc1)CCOCF 34a_100000756670_100015361967 [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.1 Cc1ccc(cc1)CCOCF 7a_100000756670_100015361967 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100011713686_100015361967 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.1 Cc1ccc(cc1)CCSCF 62a_100015361967_100011713686 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.1 Cc1ccc(cc1)CNCC#N 2230a_100000174908_100011215382 [0,2,0,0,0,0|1,0,1]=4 3757 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [0,2,0,0,0,0|2,0,0]=4 3758 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [0,2,0,0,0,0|2,0,0]=4 3759 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,2,0,0,0,0|2,0,0]=4 3766 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,2,0,0,0,0|2,0,0]=4 3767 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.1 Cc1ccc(cc1)COCC#N 7a_100011215236_100011215382 [0,2,0,0,0,0|1,0,1]=4 3769 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [0,2,0,0,0,0|2,0,0]=4 3770 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [0,2,0,0,0,0|2,0,0]=4 3771 B12R1.1 Cc1ccc(cc1)COCCBr 34a_100000211926_100000210814 [0,2,0,0,0,0|2,0,0]=4 3772 B12R1.1 Cc1ccc(cc1)COCCF 34a_100011215236_100011217306 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.1 Cc1ccc(cc1)COCCF 7a_100011215236_100011217306 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,2,0,0,0,0|1,0,0]=3 3775 B12R1.1 Cc1ccc(cc1)COCCO 34a_100011215236_100000211926 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.1 Cc1ccc(cc1)COCCO 7a_100011215236_100000211926 [0,2,0,0,0,0|2,0,0]=4 3777 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100000210814_100011215382 [0,2,0,0,0,0|1,0,1]=4 3778 B12R1.1 Cc1ccc(cc1)CSCC#N 62a_100011215382_100000210814 [0,2,0,0,0,0|1,0,1]=4 3779 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100000210814_100011217306 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.1 Cc1ccc(cc1)CSCCF 62a_100011217306_100000210814 [0,2,0,0,0,0|2,0,0]=4 3783 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000210814_100000211926 [0,2,0,0,0,0|2,0,0]=4 3784 B12R1.1 Cc1ccc(cc1)CSCCO 62a_100000211926_100000210814 [0,2,0,0,0,0|2,0,0]=4 3785 B12R1.1 Cc1ccc(cc1)NCCCF 34a_100000124888_100011934791 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.1 Cc1ccc(cc1)NCCCO 34a_100000124888_100000230001 [0,2,0,0,0,0|2,0,0]=4 3787 B12R1.1 Cc1ccc(cc1)OCCC#N 7a_100000210336_100000184422 [0,2,0,0,0,0|1,0,1]=4 3788 B12R1.1 Cc1ccc(cc1)OCCCF 34a_100000210336_100011934791 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.1 Cc1ccc(cc1)OCCCF 7a_100000210336_100011934791 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.1 Cc1ccc(cc1)OCCCO 34a_100000210336_100000230001 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.1 Cc1ccc(cc1)OCCCO 7a_100000210336_100011215043 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 2230a_100020666663_200025704644 [0,2,0,0,0,0|1,0,0]=3 3793 B12R1.1 Cc1ccc(cc1)OCCN[13CH3] 34a_100020666663_200025704644 [0,2,0,0,0,0|1,0,0]=3 3794 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 34a_100011219107_200025704644 [0,2,0,0,0,0|2,0,0]=4 3795 B12R1.1 Cc1ccc(cc1)OCCO[13CH3] 7a_100011219107_200025704644 [0,2,0,0,0,0|2,0,0]=4 3796 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_100000183172_200025704644 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.1 Cc1ccc(cc1)OCCS[13CH3] 62a_200025704644_100000183172 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100000186775_100011215226 [0,2,0,0,0,0|1,0,1]=4 3799 B12R1.1 Cc1ccc(cc1)SCCC#N 62a_100011215226_100000186775 [0,2,0,0,0,0|1,0,1]=4 3800 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100000186775_100011934791 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.1 Cc1ccc(cc1)SCCCF 62a_100011934791_100000186775 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100000186775_100011215043 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.1 Cc1ccc(cc1)SCCCO 62a_100011215043_100000186775 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.1 Cc1ccc(cc1)SCCN[13CH3] 2230a_100000739754_200025704644 [0,2,0,0,0,0|1,0,0]=3 3805 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 34a_200000230582_200025704644 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.1 Cc1ccc(cc1)SCCO[13CH3] 7a_200000230582_200025704644 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.1 Cc1ccc(cn1)COCCN 34a_100000210304_100016987292 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.1 Cc1ccc(nc1)COCCN 34a_100000210304_100000691093 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.1 Clc1ccc(cc1)COCCBr 34a_100000211926_100000694040 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.1 FCCCNc1ccc(cc1)Br 2230a_100000210018_100011934791 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.1 FCCCNc1ccc(cc1)Br 34a_100000210018_100011934791 [0,2,0,0,0,0|2,0,0]=4 3812 B12R1.1 FCCCNc1ccc(cc1)Cl 2230a_100000210052_100011934791 [0,2,0,0,0,0|2,0,0]=4 3813 B12R1.1 FCCCNc1ccc(cc1)Cl 34a_100000210052_100011934791 [0,2,0,0,0,0|2,0,0]=4 3814 B12R1.1 FCCCNc1ccc(cc1)F 34a_100000185862_100011934791 [0,2,0,0,0,0|2,0,0]=4 3815 B12R1.1 FCCCNc1ccc(cc1)I 34a_100000185761_100011934791 [0,2,0,0,0,0|2,0,0]=4 3816 B12R1.1 FCCCOc1ccc(cc1)Br 34a_100000185759_100011934791 [0,2,0,0,0,0|2,0,0]=4 3817 B12R1.1 FCCCOc1ccc(cc1)Br 7a_100000185759_100011934791 [0,2,0,0,0,0|2,0,0]=4 3818 B12R1.1 FCCCOc1ccc(cc1)Cl 34a_100000210216_100011934791 [0,2,0,0,0,0|2,0,0]=4 3819 B12R1.1 FCCCOc1ccc(cc1)Cl 7a_100000210216_100011934791 [0,2,0,0,0,0|2,0,0]=4 3820 B12R1.1 FCCCOc1ccc(cc1)F 34a_100000210339_100011934791 [0,2,0,0,0,0|2,0,0]=4 3821 B12R1.1 FCCCOc1ccc(cc1)I 34a_100000212066_100011934791 [0,2,0,0,0,0|2,0,0]=4 3822 B12R1.1 FCCCOc1ccc(cc1)I 7a_100000212066_100011934791 [0,2,0,0,0,0|2,0,0]=4 3823 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100000752885_100011934791 [0,2,0,0,0,0|2,0,0]=4 3824 B12R1.1 FCCCSc1ccc(cc1)Br 62a_100011934791_100000752885 [0,2,0,0,0,0|2,0,0]=4 3825 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100000755918_100011934791 [0,2,0,0,0,0|2,0,0]=4 3826 B12R1.1 FCCCSc1ccc(cc1)Cl 62a_100011934791_100000755918 [0,2,0,0,0,0|2,0,0]=4 3827 B12R1.1 FCCCSc1ccc(cc1)F 62a_100000211213_100011934791 [0,2,0,0,0,0|2,0,0]=4 3828 B12R1.1 FCCCSc1ccc(cc1)F 62a_100011934791_100000211213 [0,2,0,0,0,0|2,0,0]=4 3829 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,2,0,0,0,0|2,0,0]=4 3830 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,2,0,0,0,0|2,0,0]=4 3831 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,2,0,0,0,0|2,0,0]=4 3832 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,2,0,0,0,0|2,0,0]=4 3833 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,2,0,0,0,0|2,0,0]=4 3834 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,2,0,0,0,0|2,0,0]=4 3835 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,2,0,0,0,0|2,0,0]=4 3836 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,2,0,0,0,0|2,0,0]=4 3837 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,2,0,0,0,0|2,0,0]=4 3838 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,2,0,0,0,0|2,0,0]=4 3839 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,2,0,0,0,0|2,0,0]=4 3840 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,2,0,0,0,0|2,0,0]=4 3841 B12R1.1 FCCOCc1ccc(cc1)Br 34a_100000695286_100011217306 [0,2,0,0,0,0|2,0,0]=4 3842 B12R1.1 FCCOCc1ccc(cc1)Cl 34a_100000211118_100011217306 [0,2,0,0,0,0|2,0,0]=4 3843 B12R1.1 FCCOCc1ccc(cc1)Cl 7a_100000211118_100011217306 [0,2,0,0,0,0|2,0,0]=4 3844 B12R1.1 FCCOCc1ccc(cc1)F 34a_100000210977_100011217306 [0,2,0,0,0,0|2,0,0]=4 3845 B12R1.1 FCCOCc1ccc(cc1)F 7a_100000210977_100011217306 [0,2,0,0,0,0|2,0,0]=4 3846 B12R1.1 FCCOCc1ccc(cc1)I 34a_100000690907_100011217306 [0,2,0,0,0,0|2,0,0]=4 3847 B12R1.1 FCCOCc1ccc(cc1)I 7a_100000690907_100011217306 [0,2,0,0,0,0|2,0,0]=4 3848 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100000189115_100011217306 [0,2,0,0,0,0|2,0,0]=4 3849 B12R1.1 FCCSCc1ccc(cc1)Br 62a_100011217306_100000189115 [0,2,0,0,0,0|2,0,0]=4 3850 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100000187161_100011217306 [0,2,0,0,0,0|2,0,0]=4 3851 B12R1.1 FCCSCc1ccc(cc1)Cl 62a_100011217306_100000187161 [0,2,0,0,0,0|2,0,0]=4 3852 B12R1.1 FCCSCc1ccc(cc1)F 62a_100000198546_100011217306 [0,2,0,0,0,0|2,0,0]=4 3853 B12R1.1 FCCSCc1ccc(cc1)F 62a_100011217306_100000187164 [0,2,0,0,0,0|2,0,0]=4 3854 B12R1.1 FCCSCc1ccc(cc1)I 62a_100000189116_100011217306 [0,2,0,0,0,0|2,0,0]=4 3855 B12R1.1 FCCSCc1ccc(cc1)I 62a_100011217306_100000189116 [0,2,0,0,0,0|2,0,0]=4 3856 B12R1.1 FCNCCc1ccc(cc1)Br 34a_100000755846_100015361967 [0,2,0,0,0,0|1,0,0]=3 3857 B12R1.1 FCNCCc1ccc(cc1)Cl 34a_100000185265_100015361967 [0,2,0,0,0,0|1,0,0]=3 3858 B12R1.1 FCNCCc1ccc(cc1)F 34a_100000199005_100015361967 [0,2,0,0,0,0|1,0,0]=3 3859 B12R1.1 FCOCCc1ccc(cc1)Br 34a_100000766406_100015361967 [0,2,0,0,0,0|2,0,0]=4 3860 B12R1.1 FCOCCc1ccc(cc1)Br 7a_100000766406_100015361967 [0,2,0,0,0,0|2,0,0]=4 3861 B12R1.1 FCOCCc1ccc(cc1)Cl 34a_100011219627_100015361967 [0,2,0,0,0,0|2,0,0]=4 3862 B12R1.1 FCOCCc1ccc(cc1)Cl 7a_100011219627_100015361967 [0,2,0,0,0,0|2,0,0]=4 3863 B12R1.1 FCOCCc1ccc(cc1)F 34a_100000754732_100015361967 [0,2,0,0,0,0|2,0,0]=4 3864 B12R1.1 FCOCCc1ccc(cc1)F 7a_100000754732_100015361967 [0,2,0,0,0,0|2,0,0]=4 3865 B12R1.1 FCOCCc1ccc(cc1)I 34a_100012291149_100015361967 [0,2,0,0,0,0|2,0,0]=4 3866 B12R1.1 FCOCCc1ccc(cc1)I 7a_100012291149_100015361967 [0,2,0,0,0,0|2,0,0]=4 3867 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100011740612_100015361967 [0,2,0,0,0,0|2,0,0]=4 3868 B12R1.1 FCSCCc1ccc(cc1)Br 62a_100015361967_100011740612 [0,2,0,0,0,0|2,0,0]=4 3869 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100011713675_100015361967 [0,2,0,0,0,0|2,0,0]=4 3870 B12R1.1 FCSCCc1ccc(cc1)Cl 62a_100015361967_100011713675 [0,2,0,0,0,0|2,0,0]=4 3871 B12R1.1 FCSCCc1ccc(cc1)F 62a_100011217392_100015361967 [0,2,0,0,0,0|2,0,0]=4 3872 B12R1.1 FCSCCc1ccc(cc1)F 62a_100015361967_100011217392 [0,2,0,0,0,0|2,0,0]=4 3873 B12R1.1 Fc1ccc(cc1)COCCBr 34a_100000211926_100000198546 [0,2,0,0,0,0|2,0,0]=4 3874 B12R1.1 N#CCCNc1ccc(cc1)Br 2230a_100000210018_100011215226 [0,2,0,0,0,0|1,0,1]=4 3875 B12R1.1 N#CCCNc1ccc(cc1)Cl 2230a_100000210052_100011215226 [0,2,0,0,0,0|1,0,1]=4 3876 B12R1.1 N#CCCOc1ccc(cc1)Br 7a_100000185759_100000184422 [0,2,0,0,0,0|1,0,1]=4 3877 B12R1.1 N#CCCOc1ccc(cc1)Cl 7a_100000210216_100000184422 [0,2,0,0,0,0|1,0,1]=4 3878 B12R1.1 N#CCCOc1ccc(cc1)I 7a_100000212066_100000184422 [0,2,0,0,0,0|1,0,1]=4 3879 B12R1.1 N#CCCOc1ccc(cc1)O 271570a_203496583355_100000172056 [0,2,0,0,0,0|1,0,1]=4 3880 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100000752885_100011215226 [0,2,0,0,0,0|1,0,1]=4 3881 B12R1.1 N#CCCSc1ccc(cc1)Br 62a_100011215226_100000752885 [0,2,0,0,0,0|1,0,1]=4 3882 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100000755918_100011215226 [0,2,0,0,0,0|1,0,1]=4 3883 B12R1.1 N#CCCSc1ccc(cc1)Cl 62a_100011215226_100000755918 [0,2,0,0,0,0|1,0,1]=4 3884 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100000211213_100011215226 [0,2,0,0,0,0|1,0,1]=4 3885 B12R1.1 N#CCCSc1ccc(cc1)F 62a_100011215226_100000211213 [0,2,0,0,0,0|1,0,1]=4 3886 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100000185761_100011215226 [0,2,0,0,0,0|1,0,1]=4 3887 B12R1.1 N#CCCSc1ccc(cc1)N 62a_100011215226_100000185761 [0,2,0,0,0,0|1,0,1]=4 3888 B12R1.1 N#CCCSc1ccc(cc1)O 62a_100011215226_100000185759 [0,2,0,0,0,0|1,0,1]=4 3889 B12R1.1 N#CCNCc1ccc(cc1)Br 2230a_100000174875_100011215382 [0,2,0,0,0,0|1,0,1]=4 3890 B12R1.1 N#CCNCc1ccc(cc1)Cl 2230a_100000174871_100011215382 [0,2,0,0,0,0|1,0,1]=4 3891 B12R1.1 N#CCNCc1ccc(cc1)F 2230a_100000174882_100011215382 [0,2,0,0,0,0|1,0,1]=4 3892 B12R1.1 N#CCNCc1ccc(cc1)I 2230a_100016989417_100011215382 [0,2,0,0,0,0|1,0,1]=4 3893 B12R1.1 N#CCOCc1ccc(cc1)Cl 7a_100000211118_100011215382 [0,2,0,0,0,0|1,0,1]=4 3894 B12R1.1 N#CCOCc1ccc(cc1)F 7a_100000210977_100011215382 [0,2,0,0,0,0|1,0,1]=4 3895 B12R1.1 N#CCOCc1ccc(cc1)I 7a_100000690907_100011215382 [0,2,0,0,0,0|1,0,1]=4 3896 B12R1.1 N#CCSCc1ccc(cc1)Br 62a_100000189115_100011215382 [0,2,0,0,0,0|1,0,1]=4 3897 B12R1.1 N#CCSCc1ccc(cc1)Br 62a_100011215382_100000189115 [0,2,0,0,0,0|1,0,1]=4 3898 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100000187161_100011215382 [0,2,0,0,0,0|1,0,1]=4 3899 B12R1.1 N#CCSCc1ccc(cc1)Cl 62a_100011215382_100000187161 [0,2,0,0,0,0|1,0,1]=4 3900 B12R1.1 N#CCSCc1ccc(cc1)F 62a_100000198546_100011215382 [0,2,0,0,0,0|1,0,1]=4 3901 B12R1.1 N#CCSCc1ccc(cc1)F 62a_100011215382_100000187164 [0,2,0,0,0,0|1,0,1]=4 3902 B12R1.1 N#CCSCc1ccc(cc1)I 62a_100000189116_100011215382 [0,2,0,0,0,0|1,0,1]=4 3903 B12R1.1 N#CCSCc1ccc(cc1)I 62a_100011215382_100000189116 [0,2,0,0,0,0|1,0,1]=4 3904 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,2,0,0,0,0|1,0,0]=3 3905 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,2,0,0,0,0|1,0,0]=3 3906 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,2,0,0,0,0|1,0,0]=3 3907 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,2,0,0,0,0|1,0,0]=3 3908 B12R1.1 NCCOCc1ccc(cn1)Br 34a_100000210304_100000702658 [0,2,0,0,0,0|2,0,0]=4 3909 B12R1.1 NCCOCc1ccc(cn1)Cl 34a_100000210304_100012066911 [0,2,0,0,0,0|2,0,0]=4 3910 B12R1.1 NCCOCc1ccc(cn1)F 34a_100000210304_100000703193 [0,2,0,0,0,0|2,0,0]=4 3911 B12R1.1 NCCOCc1ccc(nc1)Br 34a_100000210304_100009831999 [0,2,0,0,0,0|2,0,0]=4 3912 B12R1.1 NCCOCc1ccc(nc1)Cl 34a_100000210304_100000735431 [0,2,0,0,0,0|2,0,0]=4 3913 B12R1.1 NCCOCc1ccc(nc1)F 34a_100000210304_100000099788 [0,2,0,0,0,0|2,0,0]=4 3914 B12R1.1 Nc1ccc(cc1)CCOCF 34a_100011204434_100015361967 [0,2,0,0,0,0|2,0,0]=4 3915 B12R1.1 Nc1ccc(cc1)COCC=O 34a_100011215238_200009817547 [0,2,0,0,0,0|2,0,0]=4 3916 B12R1.1 Nc1ccc(cc1)COCCF 34a_100011215238_100011217306 [0,2,0,0,0,0|2,0,0]=4 3917 B12R1.1 Nc1ccc(cc1)COCCO 34a_100011215238_100000211926 [0,2,0,0,0,0|2,0,0]=4 3918 B12R1.1 Nc1ccc(cc1)OCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|2,0,0]=4 3919 B12R1.1 Nc1ccc(cc1)OCCCO 34a_100000185829_100000230001 [0,2,0,0,0,0|2,0,0]=4 3920 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100000185761_100011934791 [0,2,0,0,0,0|2,0,0]=4 3921 B12R1.1 Nc1ccc(cc1)SCCCF 62a_100011934791_100000185761 [0,2,0,0,0,0|2,0,0]=4 3922 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100000185761_100011215043 [0,2,0,0,0,0|2,0,0]=4 3923 B12R1.1 Nc1ccc(cc1)SCCCO 62a_100011215043_100000185761 [0,2,0,0,0,0|2,0,0]=4 3924 B12R1.1 O=CCNCc1ccc(cc1)Br 2230a_100000174875_200015260668 [0,2,0,0,0,0|2,0,0]=4 3925 B12R1.1 O=CCNCc1ccc(cc1)Br 34a_100000174875_200009817547 [0,2,0,0,0,0|2,0,0]=4 3926 B12R1.1 O=CCNCc1ccc(cc1)Cl 2230a_100000174871_200015260668 [0,2,0,0,0,0|2,0,0]=4 3927 B12R1.1 O=CCNCc1ccc(cc1)Cl 34a_100000174871_200009817547 [0,2,0,0,0,0|2,0,0]=4 3928 B12R1.1 O=CCNCc1ccc(cc1)F 2230a_100000174882_200015260668 [0,2,0,0,0,0|2,0,0]=4 3929 B12R1.1 O=CCNCc1ccc(cc1)F 34a_100000174882_200009817547 [0,2,0,0,0,0|2,0,0]=4 3930 B12R1.1 O=CCNCc1ccc(cc1)I 2230a_100016989417_200015260668 [0,2,0,0,0,0|2,0,0]=4 3931 B12R1.1 O=CCNCc1ccc(cc1)I 34a_100016989417_200009817547 [0,2,0,0,0,0|2,0,0]=4 3932 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [0,2,0,0,0,0|2,0,0]=4 3933 B12R1.1 O=CCOCc1ccc(cc1)Br 34a_100000695286_200009817547 [0,2,0,0,0,0|2,0,0]=4 3934 B12R1.1 O=CCOCc1ccc(cc1)Cl 34a_100000211118_200009817547 [0,2,0,0,0,0|2,0,0]=4 3935 B12R1.1 O=CCOCc1ccc(cc1)Cl 7a_100000211118_200015260668 [0,2,0,0,0,0|2,0,0]=4 3936 B12R1.1 O=CCOCc1ccc(cc1)F 34a_100000210977_200009817547 [0,2,0,0,0,0|2,0,0]=4 3937 B12R1.1 O=CCOCc1ccc(cc1)F 7a_100000210977_200015260668 [0,2,0,0,0,0|2,0,0]=4 3938 B12R1.1 O=CCOCc1ccc(cc1)I 34a_100000690907_200009817547 [0,2,0,0,0,0|2,0,0]=4 3939 B12R1.1 O=CCOCc1ccc(cc1)I 7a_100000690907_200015260668 [0,2,0,0,0,0|2,0,0]=4 3940 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_100000189115_200015260668 [0,2,0,0,0,0|2,0,0]=4 3941 B12R1.1 O=CCSCc1ccc(cc1)Br 62a_200015260668_100000189115 [0,2,0,0,0,0|2,0,0]=4 3942 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_100000187161_200015260668 [0,2,0,0,0,0|2,0,0]=4 3943 B12R1.1 O=CCSCc1ccc(cc1)Cl 62a_200015260668_100000187161 [0,2,0,0,0,0|2,0,0]=4 3944 B12R1.1 O=CCSCc1ccc(cc1)F 62a_100000198546_200015260668 [0,2,0,0,0,0|2,0,0]=4 3945 B12R1.1 O=CCSCc1ccc(cc1)F 62a_200015260668_100000187164 [0,2,0,0,0,0|2,0,0]=4 3946 B12R1.1 O=CCSCc1ccc(cc1)I 62a_100000189116_200015260668 [0,2,0,0,0,0|2,0,0]=4 3947 B12R1.1 O=CCSCc1ccc(cc1)I 62a_200015260668_100000189116 [0,2,0,0,0,0|2,0,0]=4 3948 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [0,2,0,0,0,0|1,0,0]=3 3949 B12R1.1 OCCCNc1ccc(cc1)Br 2230a_100000210018_100000230001 [0,2,0,0,0,0|2,0,0]=4 3950 B12R1.1 OCCCNc1ccc(cc1)Br 34a_100000210018_100000230001 [0,2,0,0,0,0|2,0,0]=4 3951 B12R1.1 OCCCNc1ccc(cc1)Cl 2230a_100000210052_100000230001 [0,2,0,0,0,0|2,0,0]=4 3952 B12R1.1 OCCCNc1ccc(cc1)Cl 34a_100000210052_100000230001 [0,2,0,0,0,0|2,0,0]=4 3953 B12R1.1 OCCCNc1ccc(cc1)F 34a_100000185862_100000230001 [0,2,0,0,0,0|2,0,0]=4 3954 B12R1.1 OCCCNc1ccc(cc1)I 34a_100000185761_100000230001 [0,2,0,0,0,0|2,0,0]=4 3955 B12R1.1 OCCCNc1ccc(cc1)O 34a_100000185829_100000230001 [0,2,0,0,0,0|2,0,0]=4 3956 B12R1.1 OCCCOc1ccc(cc1)Br 34a_100000185759_100000230001 [0,2,0,0,0,0|2,0,0]=4 3957 B12R1.1 OCCCOc1ccc(cc1)Br 7a_100000185759_100011215043 [0,2,0,0,0,0|2,0,0]=4 3958 B12R1.1 OCCCOc1ccc(cc1)Cl 34a_100000210216_100000230001 [0,2,0,0,0,0|2,0,0]=4 3959 B12R1.1 OCCCOc1ccc(cc1)Cl 7a_100000210216_100011215043 [0,2,0,0,0,0|2,0,0]=4 3960 B12R1.1 OCCCOc1ccc(cc1)F 34a_100000210339_100000230001 [0,2,0,0,0,0|2,0,0]=4 3961 B12R1.1 OCCCOc1ccc(cc1)I 34a_100000212066_100000230001 [0,2,0,0,0,0|2,0,0]=4 3962 B12R1.1 OCCCOc1ccc(cc1)I 7a_100000212066_100011215043 [0,2,0,0,0,0|2,0,0]=4 3963 B12R1.1 OCCCOc1ccc(cc1)O 271570a_203496583355_100000756186 [0,2,0,0,0,0|2,0,0]=4 3964 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100000752885_100011215043 [0,2,0,0,0,0|2,0,0]=4 3965 B12R1.1 OCCCSc1ccc(cc1)Br 62a_100011215043_100000752885 [0,2,0,0,0,0|2,0,0]=4 3966 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100000755918_100011215043 [0,2,0,0,0,0|2,0,0]=4 3967 B12R1.1 OCCCSc1ccc(cc1)Cl 62a_100011215043_100000755918 [0,2,0,0,0,0|2,0,0]=4 3968 B12R1.1 OCCCSc1ccc(cc1)F 62a_100000211213_100011215043 [0,2,0,0,0,0|2,0,0]=4 3969 B12R1.1 OCCCSc1ccc(cc1)F 62a_100011215043_100000211213 [0,2,0,0,0,0|2,0,0]=4 3970 B12R1.1 OCCCSc1ccc(cc1)O 62a_100011215043_100000185759 [0,2,0,0,0,0|2,0,0]=4 3971 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,2,0,0,0,0|2,0,0]=4 3972 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,2,0,0,0,0|2,0,0]=4 3973 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,2,0,0,0,0|2,0,0]=4 3974 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,2,0,0,0,0|2,0,0]=4 3975 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,2,0,0,0,0|2,0,0]=4 3976 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,2,0,0,0,0|2,0,0]=4 3977 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,2,0,0,0,0|2,0,0]=4 3978 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,2,0,0,0,0|2,0,0]=4 3979 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,2,0,0,0,0|2,0,0]=4 3980 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,2,0,0,0,0|2,0,0]=4 3981 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,2,0,0,0,0|2,0,0]=4 3982 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,2,0,0,0,0|2,0,0]=4 3983 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,2,0,0,0,0|2,0,0]=4 3984 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,2,0,0,0,0|2,0,0]=4 3985 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,2,0,0,0,0|2,0,0]=4 3986 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,2,0,0,0,0|2,0,0]=4 3987 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,2,0,0,0,0|2,0,0]=4 3988 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,2,0,0,0,0|2,0,0]=4 3989 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,2,0,0,0,0|2,0,0]=4 3990 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,2,0,0,0,0|2,0,0]=4 3991 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,2,0,0,0,0|2,0,0]=4 3992 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,2,0,0,0,0|2,0,0]=4 3993 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,2,0,0,0,0|2,0,0]=4 3994 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,2,0,0,0,0|2,0,0]=4 3995 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,2,0,0,0,0|2,0,0]=4 3996 B12R1.1 OCCOCc1ccc(cc1)Br 34a_100000695286_100000211926 [0,2,0,0,0,0|2,0,0]=4 3997 B12R1.1 OCCOCc1ccc(cc1)Cl 34a_100000211118_100000211926 [0,2,0,0,0,0|2,0,0]=4 3998 B12R1.1 OCCOCc1ccc(cc1)Cl 7a_100000211118_100000211926 [0,2,0,0,0,0|2,0,0]=4 3999 B12R1.1 OCCOCc1ccc(cc1)F 34a_100000210977_100000211926 [0,2,0,0,0,0|2,0,0]=4 4000 B12R1.1 OCCOCc1ccc(cc1)F 7a_100000210977_100000211926 [0,2,0,0,0,0|2,0,0]=4 4001 B12R1.1 OCCOCc1ccc(cc1)I 34a_100000690907_100000211926 [0,2,0,0,0,0|2,0,0]=4 4002 B12R1.1 OCCOCc1ccc(cc1)I 7a_100000690907_100000211926 [0,2,0,0,0,0|2,0,0]=4 4003 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000189115_100000211926 [0,2,0,0,0,0|2,0,0]=4 4004 B12R1.1 OCCSCc1ccc(cc1)Br 62a_100000211926_100000189115 [0,2,0,0,0,0|2,0,0]=4 4005 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000187161_100000211926 [0,2,0,0,0,0|2,0,0]=4 4006 B12R1.1 OCCSCc1ccc(cc1)Cl 62a_100000211926_100000187161 [0,2,0,0,0,0|2,0,0]=4 4007 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000198546_100000211926 [0,2,0,0,0,0|2,0,0]=4 4008 B12R1.1 OCCSCc1ccc(cc1)F 62a_100000211926_100000187164 [0,2,0,0,0,0|2,0,0]=4 4009 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000189116_100000211926 [0,2,0,0,0,0|2,0,0]=4 4010 B12R1.1 OCCSCc1ccc(cc1)I 62a_100000211926_100000189116 [0,2,0,0,0,0|2,0,0]=4 4011 B12R1.1 Oc1ccc(cc1)CCNCF 34a_100000743037_100015361967 [0,2,0,0,0,0|1,0,0]=3 4012 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100009816426_100015361967 [0,2,0,0,0,0|2,0,0]=4 4013 B12R1.1 Oc1ccc(cc1)CCSCF 62a_100015361967_100009816426 [0,2,0,0,0,0|2,0,0]=4 4014 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,2,0,0,0,0|2,0,0]=4 4015 B12R1.1 Oc1ccc(cc1)NCCCF 34a_100000185829_100011934791 [0,2,0,0,0,0|2,0,0]=4 4016 B12R1.1 Oc1ccc(cc1)SCCCF 62a_100011934791_100000185759 [0,2,0,0,0,0|2,0,0]=4 4017 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 2230a_100011352944_200025704644 [0,2,0,0,0,0|1,0,1]=4 4018 B12R1.1 [13CH3]NCC#Cc1ccc(cc1)Cl 34a_100011352944_200025704644 [0,2,0,0,0,0|1,0,1]=4 4019 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 2230a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 4020 B12R1.1 [13CH3]NCCCc1ccc(cc1)Br 34a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 4021 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 2230a_100000748451_200025704644 [0,2,0,0,0,0|1,0,0]=3 4022 B12R1.1 [13CH3]NCCCc1ccc(cc1)Cl 34a_100000748451_200025704644 [0,2,0,0,0,0|1,0,0]=3 4023 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 2230a_100025745824_200025704644 [0,2,0,0,0,0|1,0,0]=3 4024 B12R1.1 [13CH3]NCCCc1ccc(cc1)F 34a_100025745824_200025704644 [0,2,0,0,0,0|1,0,0]=3 4025 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 2230a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4026 B12R1.1 [13CH3]NCCOc1ccc(cc1)Br 34a_100000746992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4027 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 2230a_100000697975_200025704644 [0,2,0,0,0,0|1,0,0]=3 4028 B12R1.1 [13CH3]NCCOc1ccc(cc1)Cl 34a_100000697975_200025704644 [0,2,0,0,0,0|1,0,0]=3 4029 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 2230a_100000737420_200025704644 [0,2,0,0,0,0|1,0,0]=3 4030 B12R1.1 [13CH3]NCCOc1ccc(cc1)F 34a_100000737420_200025704644 [0,2,0,0,0,0|1,0,0]=3 4031 B12R1.1 [13CH3]NCCSc1ccc(cc1)Br 2230a_100000184645_200025704644 [0,2,0,0,0,0|1,0,0]=3 4032 B12R1.1 [13CH3]NCCSc1ccc(cc1)Cl 2230a_100000174974_200025704644 [0,2,0,0,0,0|1,0,0]=3 4033 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 34a_100011709247_200025704644 [0,2,0,0,0,0|2,0,0]=4 4034 B12R1.1 [13CH3]OCCCc1ccc(cc1)Br 7a_100011709247_200025704644 [0,2,0,0,0,0|2,0,0]=4 4035 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 34a_100011217485_200025704644 [0,2,0,0,0,0|2,0,0]=4 4036 B12R1.1 [13CH3]OCCCc1ccc(cc1)Cl 7a_100011217485_200025704644 [0,2,0,0,0,0|2,0,0]=4 4037 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 34a_100000757351_200025704644 [0,2,0,0,0,0|2,0,0]=4 4038 B12R1.1 [13CH3]OCCCc1ccc(cc1)F 7a_100000757351_200025704644 [0,2,0,0,0,0|2,0,0]=4 4039 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 34a_100000686261_200025704644 [0,2,0,0,0,0|2,0,0]=4 4040 B12R1.1 [13CH3]OCCOc1ccc(cc1)Br 7a_100000686261_200025704644 [0,2,0,0,0,0|2,0,0]=4 4041 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 34a_100000237962_200025704644 [0,2,0,0,0,0|2,0,0]=4 4042 B12R1.1 [13CH3]OCCOc1ccc(cc1)Cl 7a_100000237962_200025704644 [0,2,0,0,0,0|2,0,0]=4 4043 B12R1.1 [13CH3]OCCOc1ccc(cc1)N 34a_100000754363_200025704644 [0,2,0,0,0,0|2,0,0]=4 4044 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 34a_100000230527_200025704644 [0,2,0,0,0,0|2,0,0]=4 4045 B12R1.1 [13CH3]OCCSc1ccc(cc1)Cl 7a_100000230527_200025704644 [0,2,0,0,0,0|2,0,0]=4 4046 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 34a_200000230679_200025704644 [0,2,0,0,0,0|2,0,0]=4 4047 B12R1.1 [13CH3]OCCSc1ccc(cc1)F 7a_200000230679_200025704644 [0,2,0,0,0,0|2,0,0]=4 4048 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_100011713682_200025704644 [0,2,0,0,0,0|2,0,0]=4 4049 B12R1.1 [13CH3]SCCCc1ccc(cc1)Br 62a_200025704644_100011713682 [0,2,0,0,0,0|2,0,0]=4 4050 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_100000759440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4051 B12R1.1 [13CH3]SCCCc1ccc(cc1)Cl 62a_200025704644_100000759440 [0,2,0,0,0,0|2,0,0]=4 4052 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200011713563_200025704644 [0,2,0,0,0,0|2,0,0]=4 4053 B12R1.1 [13CH3]SCCCc1ccc(cc1)F 62a_200025704644_200011713563 [0,2,0,0,0,0|2,0,0]=4 4054 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_100000183278_200025704644 [0,2,0,0,0,0|2,0,0]=4 4055 B12R1.1 [13CH3]SCCOc1ccc(cc1)Br 62a_200025704644_100000183278 [0,2,0,0,0,0|2,0,0]=4 4056 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_100000184122_200025704644 [0,2,0,0,0,0|2,0,0]=4 4057 B12R1.1 [13CH3]SCCOc1ccc(cc1)Cl 62a_200025704644_100000184122 [0,2,0,0,0,0|2,0,0]=4 4058 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_100000184936_200025704644 [0,2,0,0,0,0|2,0,0]=4 4059 B12R1.1 [13CH3]SCCOc1ccc(cc1)F 62a_200025704644_100000184936 [0,2,0,0,0,0|2,0,0]=4 4060 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,2,0,0,0,0|2,0,0]=4 4061 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,2,0,0,0,0|1,0,0]=3 4062 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,2,0,0,0,0|2,0,0]=4 4063 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,2,0,0,0,0|1,0,1]=4 4064 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,2,0,0,0,0|1,0,1]=4 4065 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,2,0,0,0,0|1,0,1]=4 4066 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,2,0,0,0,0|1,0,1]=4 4067 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,2,0,0,0,0|1,0,1]=4 4068 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,2,0,0,0,0|1,0,1]=4 4069 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,2,0,0,0,0|1,0,1]=4 4070 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,2,0,0,0,0|1,0,1]=4 4071 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,2,0,0,0,0|1,0,1]=4 4072 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,2,0,0,0,0|1,0,1]=4 4073 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,2,0,0,0,0|1,0,1]=4 4074 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,2,0,0,0,0|1,0,0]=3 4075 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,2,0,0,0,0|1,0,0]=3 4076 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,2,0,0,0,0|1,0,0]=3 4077 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,2,0,0,0,0|1,0,0]=3 4078 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,2,0,0,0,0|1,0,0]=3 4079 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,2,0,0,0,0|1,0,0]=3 4080 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,2,0,0,0,0|1,0,0]=3 4081 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,2,0,0,0,0|1,0,0]=3 4082 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,2,0,0,0,0|1,0,0]=3 4083 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,2,0,0,0,0|1,0,0]=3 4084 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,2,0,0,0,0|1,0,0]=3 4085 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,2,0,0,0,0|1,0,0]=3 4086 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,2,0,0,0,0|1,0,0]=3 4087 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,2,0,0,0,0|1,0,0]=3 4088 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,2,0,0,0,0|2,0,0]=4 4089 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,2,0,0,0,0|2,0,0]=4 4090 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,2,0,0,0,0|2,0,0]=4 4091 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,2,0,0,0,0|2,0,0]=4 4092 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4093 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,2,0,0,0,0|2,0,0]=4 4094 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,2,0,0,0,0|2,0,0]=4 4095 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,2,0,0,0,0|2,0,0]=4 4096 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,2,0,0,0,0|2,0,0]=4 4097 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,2,0,0,0,0|2,0,0]=4 4098 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,2,0,0,0,0|1,0,0]=3 4099 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,2,0,0,0,0|1,0,0]=3 4100 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4101 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,2,0,0,0,0|2,0,0]=4 4102 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4103 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,2,0,0,0,0|1,0,0]=3 4104 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,2,0,0,0,0|1,0,0]=3 4105 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,2,0,0,0,0|1,0,0]=3 4106 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,2,0,0,0,0|1,0,0]=3 4107 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,2,0,0,0,0|2,0,0]=4 4108 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,2,0,0,0,0|2,0,0]=4 4109 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,2,0,0,0,0|2,0,0]=4 4110 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,2,0,0,0,0|2,0,0]=4 4111 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,2,0,0,0,0|2,0,0]=4 4112 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,2,0,0,0,0|2,0,0]=4 4113 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,2,0,0,0,0|2,0,0]=4 4114 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,2,0,0,0,0|2,0,0]=4 4115 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,2,0,0,0,0|2,0,0]=4 4116 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,2,0,0,0,0|2,0,0]=4 4117 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,2,0,0,0,0|2,0,0]=4 4118 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,2,0,0,0,0|2,0,0]=4 4119 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,2,0,0,0,0|2,0,0]=4 4120 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,2,0,0,0,0|2,0,0]=4 4121 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,2,0,0,0,0|2,0,0]=4 4122 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,2,0,0,0,0|2,0,0]=4 4123 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,2,0,0,0,0|2,0,0]=4 4124 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,2,0,0,0,0|2,0,0]=4 4125 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,2,0,0,0,0|2,0,0]=4 4126 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 4127 B12R1.21 CN(C)CCc1ccc(cc1)Br 2230a_100102631434_100011740612 [0,2,0,0,0,0|1,0,0]=3 4128 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 4129 B12R1.21 CN(C)CCc1ccc(cc1)Br 269982a_100102631434_100011740612 [0,2,0,0,0,0|1,0,0]=3 4130 B12R1.21 CN(C)CCc1ccc(cc1)Br 34a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 4131 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100000698262_200000210301 [0,2,0,0,0,0|1,0,0]=3 4132 B12R1.21 CN(C)CCc1ccc(cc1)Cl 2230a_100102631434_100011713675 [0,2,0,0,0,0|1,0,0]=3 4133 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100000698262_200000210301 [0,2,0,0,0,0|1,0,0]=3 4134 B12R1.21 CN(C)CCc1ccc(cc1)Cl 269982a_100102631434_100011713675 [0,2,0,0,0,0|1,0,0]=3 4135 B12R1.21 CN(C)CCc1ccc(cc1)Cl 34a_100000698262_200000210301 [0,2,0,0,0,0|1,0,0]=3 4136 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102631434_100011217392 [0,2,0,0,0,0|1,0,0]=3 4137 B12R1.21 CN(C)CCc1ccc(cc1)F 2230a_100102946585_200000210301 [0,2,0,0,0,0|1,0,0]=3 4138 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102631434_100011217392 [0,2,0,0,0,0|1,0,0]=3 4139 B12R1.21 CN(C)CCc1ccc(cc1)F 269982a_100102946585_200000210301 [0,2,0,0,0,0|1,0,0]=3 4140 B12R1.21 CN(C)CCc1ccc(cc1)F 34a_100102946585_200000210301 [0,2,0,0,0,0|1,0,0]=3 4141 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 4142 B12R1.21 CN(C)CCc1ccc(cc1)O 2230a_100102631434_100009816426 [0,2,0,0,0,0|1,0,0]=3 4143 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 4144 B12R1.21 CN(C)CCc1ccc(cc1)O 269982a_100102631434_100009816426 [0,2,0,0,0,0|1,0,0]=3 4145 B12R1.21 CN(C)CCc1ccc(cc1)O 34a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 4146 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 2230a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4147 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 269982a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4148 B12R1.21 CN([13CH3])CCc1ccc(cc1)Br 34a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4149 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 2230a_100000698262_200025704644 [0,2,0,0,0,0|1,0,0]=3 4150 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 269982a_100000698262_200025704644 [0,2,0,0,0,0|1,0,0]=3 4151 B12R1.21 CN([13CH3])CCc1ccc(cc1)Cl 34a_100000698262_200025704644 [0,2,0,0,0,0|1,0,0]=3 4152 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 2230a_100102946585_200025704644 [0,2,0,0,0,0|1,0,0]=3 4153 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 269982a_100102946585_200025704644 [0,2,0,0,0,0|1,0,0]=3 4154 B12R1.21 CN([13CH3])CCc1ccc(cc1)F 34a_100102946585_200025704644 [0,2,0,0,0,0|1,0,0]=3 4155 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 2230a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 4156 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 269982a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 4157 B12R1.21 CN([13CH3])CCc1ccc(cc1)O 34a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 4158 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,2,0,0,0,0|2,0,0]=4 4159 B12R1.21 Cc1ccc(cc1)CCN(C)C 2230a_100102631434_100011713686 [0,2,0,0,0,0|1,0,0]=3 4160 B12R1.21 Cc1ccc(cc1)CCN(C)C 269982a_100102631434_100011713686 [0,2,0,0,0,0|1,0,0]=3 4161 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,2,0,0,0,0|2,0,0]=4 4162 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,2,0,0,0,0|2,0,0]=4 4163 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,2,0,0,0,0|2,0,0]=4 4164 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,2,0,0,0,0|2,0,0]=4 4165 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,2,0,0,0,0|2,0,0]=4 4166 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,2,0,0,0,0|1,0,0]=3 4167 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,2,0,0,0,0|2,0,0]=4 4168 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,2,0,0,0,0|2,0,0]=4 4169 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,2,0,0,0,0|2,0,0]=4 4170 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,2,0,0,0,0|2,0,0]=4 4171 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,2,0,0,0,0|2,0,0]=4 4172 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,2,0,0,0,0|2,0,0]=4 4173 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4174 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,2,0,0,0,0|2,0,0]=4 4175 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,2,0,0,0,0|2,0,0]=4 4176 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,2,0,0,0,0|2,0,0]=4 4177 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,2,0,0,0,0|2,0,0]=4 4178 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,2,0,0,0,0|2,0,0]=4 4179 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,2,0,0,0,0|2,0,0]=4 4180 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,2,0,0,0,0|2,0,0]=4 4181 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4182 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,2,0,0,0,0|2,0,0]=4 4183 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,2,0,0,0,0|2,0,0]=4 4184 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,2,0,0,0,0|2,0,0]=4 4185 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,2,0,0,0,0|2,0,0]=4 4186 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,2,0,0,0,0|2,0,0]=4 4187 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,2,0,0,0,0|2,0,0]=4 4188 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,2,0,0,0,0|2,0,0]=4 4189 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,2,0,0,0,0|2,0,0]=4 4190 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,2,0,0,0,0|2,0,0]=4 4191 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,2,0,0,0,0|2,0,0]=4 4192 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,2,0,0,0,0|2,0,0]=4 4193 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,2,0,0,0,0|2,0,0]=4 4194 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,2,0,0,0,0|2,0,0]=4 4195 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,2,0,0,0,0|2,0,0]=4 4196 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,2,0,0,0,0|2,0,0]=4 4197 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,2,0,0,0,0|2,0,0]=4 4198 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,2,0,0,0,0|2,0,0]=4 4199 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,2,0,0,0,0|1,0,0]=3 4200 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,2,0,0,0,0|1,0,0]=3 4201 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,2,0,0,0,0|1,0,1]=4 4202 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 4203 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,2,0,0,0,0|1,0,1]=4 4204 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,2,0,0,0,0|1,0,1]=4 4205 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 4206 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,2,0,0,0,0|1,0,1]=4 4207 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,2,0,0,0,0|1,0,1]=4 4208 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 4209 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,2,0,0,0,0|1,0,1]=4 4210 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,2,0,0,0,0|1,0,1]=4 4211 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 4212 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 4213 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,2,0,0,0,0|1,0,1]=4 4214 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,2,0,0,0,0|1,0,1]=4 4215 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 4216 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 4217 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,2,0,0,0,0|1,0,1]=4 4218 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 4219 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 4220 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,2,0,0,0,0|1,0,1]=4 4221 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,2,0,0,0,0|1,0,1]=4 4222 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,2,0,0,0,0|1,0,0]=3 4223 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,2,0,0,0,0|1,0,0]=3 4224 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,2,0,0,0,0|1,0,0]=3 4225 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,2,0,0,0,0|1,0,0]=3 4226 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,2,0,0,0,0|1,0,0]=3 4227 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,2,0,0,0,0|1,0,0]=3 4228 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,2,0,0,0,0|1,0,0]=3 4229 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,2,0,0,0,0|2,0,0]=4 4230 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,2,0,0,0,0|2,0,0]=4 4231 B12R1.69 CCCCc1ccc(cc1Br)Br 271570a_100020621405_100011484698 [0,2,0,0,0,0|2,0,0]=4 4232 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,2,0,0,0,0|2,0,0]=4 4233 B12R1.69 CCCCc1ccc(cc1Br)Cl 271570a_100020621405_100011219703 [0,2,0,0,0,0|2,0,0]=4 4234 B12R1.69 CCCCc1ccc(cc1Br)F 271570a_100020621405_100011217111 [0,2,0,0,0,0|2,0,0]=4 4235 B12R1.69 CCCCc1ccc(cc1Br)N 271570a_100020621405_100000750458 [0,2,0,0,0,0|2,0,0]=4 4236 B12R1.69 CCCCc1ccc(cc1Br)O 271570a_100020621405_100000701344 [0,2,0,0,0,0|2,0,0]=4 4237 B12R1.69 CCCCc1ccc(cc1C)Br 271570a_100020621405_100000701812 [0,2,0,0,0,0|2,0,0]=4 4238 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,2,0,0,0,0|2,0,0]=4 4239 B12R1.69 CCCCc1ccc(cc1C)Cl 271570a_100020621405_100011219607 [0,2,0,0,0,0|2,0,0]=4 4240 B12R1.69 CCCCc1ccc(cc1C)F 271570a_100020621405_100011205405 [0,2,0,0,0,0|2,0,0]=4 4241 B12R1.69 CCCCc1ccc(cc1C)N 271570a_100020621405_100000210723 [0,2,0,0,0,0|2,0,0]=4 4242 B12R1.69 CCCCc1ccc(cc1C)O 271570a_100020621405_100000729255 [0,2,0,0,0,0|2,0,0]=4 4243 B12R1.69 CCCCc1ccc(cc1Cl)Br 271570a_100020621405_100011216062 [0,2,0,0,0,0|2,0,0]=4 4244 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,2,0,0,0,0|2,0,0]=4 4245 B12R1.69 CCCCc1ccc(cc1Cl)Cl 271570a_100020621405_100000699841 [0,2,0,0,0,0|2,0,0]=4 4246 B12R1.69 CCCCc1ccc(cc1Cl)F 271570a_100020621405_100000733362 [0,2,0,0,0,0|2,0,0]=4 4247 B12R1.69 CCCCc1ccc(cc1Cl)N 271570a_100020621405_100000761885 [0,2,0,0,0,0|2,0,0]=4 4248 B12R1.69 CCCCc1ccc(cc1Cl)O 271570a_100020621405_100000047559 [0,2,0,0,0,0|2,0,0]=4 4249 B12R1.69 CCCCc1ccc(cc1F)Br 271570a_100020621405_100009814013 [0,2,0,0,0,0|2,0,0]=4 4250 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,2,0,0,0,0|2,0,0]=4 4251 B12R1.69 CCCCc1ccc(cc1F)Cl 271570a_100020621405_100011216042 [0,2,0,0,0,0|2,0,0]=4 4252 B12R1.69 CCCCc1ccc(cc1F)F 271570a_100020621405_100000750030 [0,2,0,0,0,0|2,0,0]=4 4253 B12R1.69 CCCCc1ccc(cc1F)N 271570a_100020621405_100011356925 [0,2,0,0,0,0|2,0,0]=4 4254 B12R1.69 CCCCc1ccc(cc1F)O 271570a_100020621405_100000755031 [0,2,0,0,0,0|2,0,0]=4 4255 B12R1.69 CCCCc1ccc(cc1N)Br 271570a_100020621405_100000743836 [0,2,0,0,0,0|2,0,0]=4 4256 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,2,0,0,0,0|2,0,0]=4 4257 B12R1.69 CCCCc1ccc(cc1N)Cl 271570a_100020621405_100000761886 [0,2,0,0,0,0|2,0,0]=4 4258 B12R1.69 CCCCc1ccc(cc1N)F 271570a_100020621405_100011218093 [0,2,0,0,0,0|2,0,0]=4 4259 B12R1.69 CCCCc1ccc(cc1N)N 271570a_100020621405_200012175722 [0,2,0,0,0,0|2,0,0]=4 4260 B12R1.69 CCCCc1ccc(cc1N)O 271570a_100020621405_100011999798 [0,2,0,0,0,0|2,0,0]=4 4261 B12R1.69 CCCCc1ccc(cc1O)Br 271570a_100020621405_100012344904 [0,2,0,0,0,0|2,0,0]=4 4262 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,2,0,0,0,0|2,0,0]=4 4263 B12R1.69 CCCCc1ccc(cc1O)Cl 271570a_100020621405_100000050036 [0,2,0,0,0,0|2,0,0]=4 4264 B12R1.69 CCCCc1ccc(cc1O)F 271570a_100020621405_100000690578 [0,2,0,0,0,0|2,0,0]=4 4265 B12R1.69 CCCCc1ccc(cc1O)O 271570a_100020621405_100009813921 [0,2,0,0,0,0|2,0,0]=4 4266 B12R1.69 CNCCc1ccc(cc1Br)Cl 2230a_106832991635_200012945151 [0,2,0,0,0,0|1,0,0]=3 4267 B12R1.69 CNCCc1ccc(cc1Br)Cl 34a_100102657272_200012945151 [0,2,0,0,0,0|1,0,0]=3 4268 B12R1.69 CNCCc1ccc(cc1Br)Cl 7a_106832991635_200012945151 [0,2,0,0,0,0|1,0,0]=3 4269 B12R1.69 CNCCc1ccc(cc1C)C 2230a_100000745621_200000210301 [0,2,0,0,0,0|1,0,0]=3 4270 B12R1.69 CNCCc1ccc(cc1C)C 270004a_106832991635_100011754701 [0,2,0,0,0,0|1,0,0]=3 4271 B12R1.69 CNCCc1ccc(cc1C)C 34a_100000745621_200000210301 [0,2,0,0,0,0|1,0,0]=3 4272 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_100000210994_200000210301 [0,2,0,0,0,0|1,0,0]=3 4273 B12R1.69 CNCCc1ccc(cc1Cl)Cl 2230a_106832991635_200012161198 [0,2,0,0,0,0|1,0,0]=3 4274 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100000210994_200000210301 [0,2,0,0,0,0|1,0,0]=3 4275 B12R1.69 CNCCc1ccc(cc1Cl)Cl 34a_100102657272_200012161198 [0,2,0,0,0,0|1,0,0]=3 4276 B12R1.69 CNCCc1ccc(cc1Cl)Cl 7a_106832991635_200012161198 [0,2,0,0,0,0|1,0,0]=3 4277 B12R1.69 CNCCc1ccc(cc1F)Cl 2230a_103496529009_200000210301 [0,2,0,0,0,0|1,0,0]=3 4278 B12R1.69 CNCCc1ccc(cc1F)Cl 34a_103496529009_200000210301 [0,2,0,0,0,0|1,0,0]=3 4279 B12R1.69 CNCCc1ccc(cc1F)F 2230a_100000754870_200000210301 [0,2,0,0,0,0|1,0,0]=3 4280 B12R1.69 CNCCc1ccc(cc1F)F 34a_100000754870_200000210301 [0,2,0,0,0,0|1,0,0]=3 4281 B12R1.69 COCCc1ccc(cc1Br)Cl 34a_100138415774_200012945151 [0,2,0,0,0,0|2,0,0]=4 4282 B12R1.69 COCCc1ccc(cc1Cl)Br 34a_100013445822_200000210301 [0,2,0,0,0,0|2,0,0]=4 4283 B12R1.69 COCCc1ccc(cc1Cl)Br 7a_100013445822_200000210301 [0,2,0,0,0,0|2,0,0]=4 4284 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100011215701_200000210301 [0,2,0,0,0,0|2,0,0]=4 4285 B12R1.69 COCCc1ccc(cc1Cl)Cl 34a_100138415774_200012161198 [0,2,0,0,0,0|2,0,0]=4 4286 B12R1.69 COCCc1ccc(cc1Cl)Cl 7a_100011215701_200000210301 [0,2,0,0,0,0|2,0,0]=4 4287 B12R1.69 COCCc1ccc(cc1Cl)F 34a_100011962860_200000210301 [0,2,0,0,0,0|2,0,0]=4 4288 B12R1.69 COCCc1ccc(cc1Cl)F 7a_100011962860_200000210301 [0,2,0,0,0,0|2,0,0]=4 4289 B12R1.69 COCCc1ccc(cc1F)Br 34a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 4290 B12R1.69 COCCc1ccc(cc1F)Br 7a_100011962869_200000210301 [0,2,0,0,0,0|2,0,0]=4 4291 B12R1.69 COCCc1ccc(cc1F)F 34a_100000697962_200000210301 [0,2,0,0,0,0|2,0,0]=4 4292 B12R1.69 COCCc1ccc(cc1F)F 7a_100000697962_200000210301 [0,2,0,0,0,0|2,0,0]=4 4293 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200000210301_200012945151 [0,2,0,0,0,0|2,0,0]=4 4294 B12R1.69 CSCCc1ccc(cc1Br)Cl 62a_200012945151_200000210301 [0,2,0,0,0,0|2,0,0]=4 4295 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200000210301_200012161198 [0,2,0,0,0,0|2,0,0]=4 4296 B12R1.69 CSCCc1ccc(cc1Cl)Cl 62a_200012161198_200000210301 [0,2,0,0,0,0|2,0,0]=4 4297 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 2230a_100000745621_200025704644 [0,2,0,0,0,0|1,0,0]=3 4298 B12R1.69 Cc1ccc(c(c1)C)CCN[13CH3] 34a_100000745621_200025704644 [0,2,0,0,0,0|1,0,0]=3 4299 B12R1.69 Cc1ccc(c(c1)O)OCCN 271570a_203496583355_100025744979 [0,2,0,0,0,0|2,0,0]=4 4300 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200025704644 [0,2,0,0,0,0|1,0,0]=3 4301 B12R1.69 [13CH3]NCCc1ccc(cc1Cl)Cl 34a_100000210994_200025704644 [0,2,0,0,0,0|1,0,0]=3 4302 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 2230a_103496529009_200025704644 [0,2,0,0,0,0|1,0,0]=3 4303 B12R1.69 [13CH3]NCCc1ccc(cc1F)Cl 34a_103496529009_200025704644 [0,2,0,0,0,0|1,0,0]=3 4304 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 2230a_100000754870_200025704644 [0,2,0,0,0,0|1,0,0]=3 4305 B12R1.69 [13CH3]NCCc1ccc(cc1F)F 34a_100000754870_200025704644 [0,2,0,0,0,0|1,0,0]=3 4306 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 34a_100013445822_200025704644 [0,2,0,0,0,0|2,0,0]=4 4307 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Br 7a_100013445822_200025704644 [0,2,0,0,0,0|2,0,0]=4 4308 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 34a_100011215701_200025704644 [0,2,0,0,0,0|2,0,0]=4 4309 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)Cl 7a_100011215701_200025704644 [0,2,0,0,0,0|2,0,0]=4 4310 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 34a_100011962860_200025704644 [0,2,0,0,0,0|2,0,0]=4 4311 B12R1.69 [13CH3]OCCc1ccc(cc1Cl)F 7a_100011962860_200025704644 [0,2,0,0,0,0|2,0,0]=4 4312 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 34a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 4313 B12R1.69 [13CH3]OCCc1ccc(cc1F)Br 7a_100011962869_200025704644 [0,2,0,0,0,0|2,0,0]=4 4314 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 34a_100000697962_200025704644 [0,2,0,0,0,0|2,0,0]=4 4315 B12R1.69 [13CH3]OCCc1ccc(cc1F)F 7a_100000697962_200025704644 [0,2,0,0,0,0|2,0,0]=4 4316 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200012945151_200025704644 [0,2,0,0,0,0|2,0,0]=4 4317 B12R1.69 [13CH3]SCCc1ccc(cc1Br)Cl 62a_200025704644_200012945151 [0,2,0,0,0,0|2,0,0]=4 4318 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200012161198_200025704644 [0,2,0,0,0,0|2,0,0]=4 4319 B12R1.69 [13CH3]SCCc1ccc(cc1Cl)Cl 62a_200025704644_200012161198 [0,2,0,0,0,0|2,0,0]=4 4320 B12R1.71 C=Cc1ccc(cc1)CCC#N 271570a_100011290941_100011216407 [0,2,0,0,0,0|1,0,1]=4 4321 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,2,0,0,0,0|2,0,0]=4 4322 B12R1.71 C=Cc1ccc(cc1)CCCC 271570a_100011290941_100011215597 [0,2,0,0,0,0|2,0,0]=4 4323 B12R1.71 C=Cc1ccc(cc1)CCCN 271570a_100011290941_100011297623 [0,2,0,0,0,0|1,0,0]=3 4324 B12R1.71 C=Cc1ccc(cc1)CCCO 271570a_100011290941_100011709247 [0,2,0,0,0,0|2,0,0]=4 4325 B12R1.71 C=Cc1ccc(cc1)CCNC 2230a_106832991635_100000142037 [0,2,0,0,0,0|1,0,0]=3 4326 B12R1.71 C=Cc1ccc(cc1)CCNC 271570a_100011290941_100000752880 [0,2,0,0,0,0|1,0,0]=3 4327 B12R1.71 C=Cc1ccc(cc1)CCNC 34a_100102657272_100000142037 [0,2,0,0,0,0|1,0,0]=3 4328 B12R1.71 C=Cc1ccc(cc1)CCNC 7a_106832991635_100000142037 [0,2,0,0,0,0|1,0,0]=3 4329 B12R1.71 C=Cc1ccc(cc1)CCOC 271570a_100011290941_100000739703 [0,2,0,0,0,0|2,0,0]=4 4330 B12R1.71 C=Cc1ccc(cc1)CCOC 34a_100138415774_100000142037 [0,2,0,0,0,0|2,0,0]=4 4331 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_100000142037_200000210301 [0,2,0,0,0,0|2,0,0]=4 4332 B12R1.71 C=Cc1ccc(cc1)CCSC 62a_200000210301_100000142037 [0,2,0,0,0,0|2,0,0]=4 4333 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_100000142037_200025704644 [0,2,0,0,0,0|2,0,0]=4 4334 B12R1.71 C=Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100000142037 [0,2,0,0,0,0|2,0,0]=4 4335 B12R1.71 C=Cc1ccc(cc1)OCCN 271570a_100011290941_100000746992 [0,2,0,0,0,0|2,0,0]=4 4336 B12R1.71 C=Cc1ccc(cc1)SCCN 271570a_100011290941_100000184645 [0,2,0,0,0,0|2,0,0]=4 4337 B12R1.71 CCCCc1ccc(cc1)C#N 271570a_100020621405_100000179745 [0,2,0,0,0,0|2,0,0]=4 4338 B12R1.71 CCCCc1ccc(cc1)C=O 271570a_100020621405_100000186029 [0,2,0,0,0,0|2,0,0]=4 4339 B12R1.71 CCCCc1ccc(cc1)CC 271570a_100020621405_100011215824 [0,2,0,0,0,0|2,0,0]=4 4340 B12R1.71 CCCCc1ccc(cc1)CF 271570a_100020621405_100010268989 [0,2,0,0,0,0|2,0,0]=4 4341 B12R1.71 CCCCc1ccc(cc1)CN 271570a_100020621405_100016989417 [0,2,0,0,0,0|2,0,0]=4 4342 B12R1.71 CCCCc1ccc(cc1)CO 271570a_100020621405_100000690907 [0,2,0,0,0,0|2,0,0]=4 4343 B12R1.71 CCCCc1ccc(cc1)NC 2230a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 4344 B12R1.71 CCCCc1ccc(cc1)NC 271570a_100020621405_100000219623 [0,2,0,0,0,0|2,0,0]=4 4345 B12R1.71 CCCCc1ccc(cc1)NC 34a_100000210628_200000210301 [0,2,0,0,0,0|2,0,0]=4 4346 B12R1.71 CCCCc1ccc(cc1)NN 271570a_100020621405_100016988836 [0,2,0,0,0,0|2,0,0]=4 4347 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 2230a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 4348 B12R1.71 CCCCc1ccc(cc1)N[13CH3] 34a_100000210628_200025704644 [0,2,0,0,0,0|2,0,0]=4 4349 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,2,0,0,0,0|2,0,0]=4 4350 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 4351 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,2,0,0,0,0|2,0,0]=4 4352 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 4353 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,2,0,0,0,0|2,0,0]=4 4354 B12R1.71 CCCCc1ccc(cc1)SC 271570a_100020621405_100011263217 [0,2,0,0,0,0|2,0,0]=4 4355 B12R1.71 CCCCc1ccc(cc1)SC 62a_100011218101_200000210301 [0,2,0,0,0,0|2,0,0]=4 4356 B12R1.71 CCCCc1ccc(cc1)SC 62a_200000210301_100011218101 [0,2,0,0,0,0|2,0,0]=4 4357 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_100011218101_200025704644 [0,2,0,0,0,0|2,0,0]=4 4358 B12R1.71 CCCCc1ccc(cc1)S[13CH3] 62a_200025704644_100011218101 [0,2,0,0,0,0|2,0,0]=4 4359 B12R1.71 CCc1ccc(cc1)CCNC 2230a_100025712186_200000210301 [0,2,0,0,0,0|1,0,0]=3 4360 B12R1.71 CCc1ccc(cc1)CCNC 34a_100025712186_200000210301 [0,2,0,0,0,0|1,0,0]=3 4361 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 2230a_100025712186_200025704644 [0,2,0,0,0,0|1,0,0]=3 4362 B12R1.71 CCc1ccc(cc1)CCN[13CH3] 34a_100025712186_200025704644 [0,2,0,0,0,0|1,0,0]=3 4363 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_100015189369_200000210301 [0,2,0,0,0,0|1,0,0]=3 4364 B12R1.71 CNCCc1ccc(cc1)C#N 2230a_106832991635_100012161189 [0,2,0,0,0,0|1,0,0]=3 4365 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100015189369_200000210301 [0,2,0,0,0,0|1,0,0]=3 4366 B12R1.71 CNCCc1ccc(cc1)C#N 34a_100102657272_100012161189 [0,2,0,0,0,0|1,0,0]=3 4367 B12R1.71 CNCCc1ccc(cc1)C#N 7a_106832991635_100012161189 [0,2,0,0,0,0|1,0,0]=3 4368 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,2,0,0,0,0|1,0,0]=3 4369 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,2,0,0,0,0|1,0,0]=3 4370 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,2,0,0,0,0|1,0,0]=3 4371 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,2,0,0,0,0|1,0,0]=3 4372 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,2,0,0,0,0|1,0,0]=3 4373 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,2,0,0,0,0|1,0,0]=3 4374 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,2,0,0,0,0|1,0,0]=3 4375 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,2,0,0,0,0|1,0,0]=3 4376 B12R1.71 CNCCc1ccc(cc1)SC 62a_100000752880_200000210301 [0,2,0,0,0,0|1,0,0]=3 4377 B12R1.71 CNCCc1ccc(cc1)SC 62a_200000210301_100000752880 [0,2,0,0,0,0|1,0,0]=3 4378 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_100000752880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4379 B12R1.71 CNCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000752880 [0,2,0,0,0,0|1,0,0]=3 4380 B12R1.71 CNCCc1ccc(nc1)OC 2230a_100011998949_200000210301 [0,2,0,0,0,0|2,0,0]=4 4381 B12R1.71 CNCCc1ccc(nc1)OC 34a_100011998949_200000210301 [0,2,0,0,0,0|2,0,0]=4 4382 B12R1.71 CNc1ccc(cc1)CCSC 2230a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 4383 B12R1.71 CNc1ccc(cc1)CCSC 34a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 4384 B12R1.71 CNc1ccc(cc1)CCSC 7a_100000750819_200000210301 [0,2,0,0,0,0|2,0,0]=4 4385 B12R1.71 COCCc1ccc(cc1)C#N 34a_100011219507_200000210301 [0,2,0,0,0,0|2,0,0]=4 4386 B12R1.71 COCCc1ccc(cc1)C#N 34a_100138415774_100012161189 [0,2,0,0,0,0|2,0,0]=4 4387 B12R1.71 COCCc1ccc(cc1)C#N 7a_100011219507_200000210301 [0,2,0,0,0,0|2,0,0]=4 4388 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 4389 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 4390 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,2,0,0,0,0|2,0,0]=4 4391 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,2,0,0,0,0|2,0,0]=4 4392 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,2,0,0,0,0|2,0,0]=4 4393 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 4394 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,2,0,0,0,0|2,0,0]=4 4395 B12R1.71 COCCc1ccc(cc1)SC 62a_100000739703_200000210301 [0,2,0,0,0,0|2,0,0]=4 4396 B12R1.71 COCCc1ccc(cc1)SC 62a_200000210301_100000739703 [0,2,0,0,0,0|2,0,0]=4 4397 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_100000739703_200025704644 [0,2,0,0,0,0|2,0,0]=4 4398 B12R1.71 COCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000739703 [0,2,0,0,0,0|2,0,0]=4 4399 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,2,0,0,0,0|1,0,1]=4 4400 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,2,0,0,0,0|1,0,1]=4 4401 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,2,0,0,0,0|2,0,0]=4 4402 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,2,0,0,0,0|2,0,0]=4 4403 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,2,0,0,0,0|1,0,0]=3 4404 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,2,0,0,0,0|1,0,0]=3 4405 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 4406 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,2,0,0,0,0|2,0,0]=4 4407 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,2,0,0,0,0|2,0,0]=4 4408 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,2,0,0,0,0|2,0,0]=4 4409 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,2,0,0,0,0|2,0,0]=4 4410 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,2,0,0,0,0|2,0,0]=4 4411 B12R1.71 COc1ccc(cn1)CCN[13CH3] 2230a_100011998949_200025704644 [0,2,0,0,0,0|2,0,0]=4 4412 B12R1.71 COc1ccc(cn1)CCN[13CH3] 34a_100011998949_200025704644 [0,2,0,0,0,0|2,0,0]=4 4413 B12R1.71 CSCCc1ccc(cc1)C#N 62a_200000210301_100012161189 [0,2,0,0,0,0|2,0,0]=4 4414 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 2230a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 4415 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 34a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 4416 B12R1.71 CSCCc1ccc(cc1)N[13CH3] 7a_100000750819_200025704644 [0,2,0,0,0,0|2,0,0]=4 4417 B12R1.71 CSc1ccc(cc1)CCC#N 62a_100011216407_200000210301 [0,2,0,0,0,0|1,0,1]=4 4418 B12R1.71 CSc1ccc(cc1)CCC#N 62a_200000210301_100011216407 [0,2,0,0,0,0|1,0,1]=4 4419 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,2,0,0,0,0|2,0,0]=4 4420 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,2,0,0,0,0|2,0,0]=4 4421 B12R1.71 CSc1ccc(cc1)CCCN 62a_100011297623_200000210301 [0,2,0,0,0,0|1,0,0]=3 4422 B12R1.71 CSc1ccc(cc1)CCCN 62a_200000210301_100011297623 [0,2,0,0,0,0|1,0,0]=3 4423 B12R1.71 CSc1ccc(cc1)CCCO 62a_100011709247_200000210301 [0,2,0,0,0,0|2,0,0]=4 4424 B12R1.71 CSc1ccc(cc1)CCCO 62a_200000210301_100011709247 [0,2,0,0,0,0|2,0,0]=4 4425 B12R1.71 CSc1ccc(cc1)OCCN 62a_100000746992_200000210301 [0,2,0,0,0,0|2,0,0]=4 4426 B12R1.71 CSc1ccc(cc1)OCCN 62a_200000210301_100000746992 [0,2,0,0,0,0|2,0,0]=4 4427 B12R1.71 CSc1ccc(cc1)SCCN 62a_100000184645_200000210301 [0,2,0,0,0,0|2,0,0]=4 4428 B12R1.71 CSc1ccc(cc1)SCCN 62a_200000210301_100000184645 [0,2,0,0,0,0|2,0,0]=4 4429 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 2230a_100015189369_200025704644 [0,2,0,0,0,0|1,0,0]=3 4430 B12R1.71 [13CH3]NCCc1ccc(cc1)C#N 34a_100015189369_200025704644 [0,2,0,0,0,0|1,0,0]=3 4431 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 34a_100011219507_200025704644 [0,2,0,0,0,0|2,0,0]=4 4432 B12R1.71 [13CH3]OCCc1ccc(cc1)C#N 7a_100011219507_200025704644 [0,2,0,0,0,0|2,0,0]=4 4433 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,2,0,0,0,0|1,0,1]=4 4434 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,2,0,0,0,0|1,0,1]=4 4435 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,2,0,0,0,0|2,0,0]=4 4436 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,2,0,0,0,0|2,0,0]=4 4437 B12R1.71 [13CH3]SCCc1ccc(cc1)C#N 62a_200025704644_100012161189 [0,2,0,0,0,0|2,0,0]=4 4438 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_100011216407_200025704644 [0,2,0,0,0,0|1,0,1]=4 4439 B12R1.71 [13CH3]Sc1ccc(cc1)CCC#N 62a_200025704644_100011216407 [0,2,0,0,0,0|1,0,1]=4 4440 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,2,0,0,0,0|2,0,0]=4 4441 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,2,0,0,0,0|2,0,0]=4 4442 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_100011297623_200025704644 [0,2,0,0,0,0|1,0,0]=3 4443 B12R1.71 [13CH3]Sc1ccc(cc1)CCCN 62a_200025704644_100011297623 [0,2,0,0,0,0|1,0,0]=3 4444 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_100011709247_200025704644 [0,2,0,0,0,0|2,0,0]=4 4445 B12R1.71 [13CH3]Sc1ccc(cc1)CCCO 62a_200025704644_100011709247 [0,2,0,0,0,0|2,0,0]=4 4446 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_100000746992_200025704644 [0,2,0,0,0,0|2,0,0]=4 4447 B12R1.71 [13CH3]Sc1ccc(cc1)OCCN 62a_200025704644_100000746992 [0,2,0,0,0,0|2,0,0]=4 4448 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_100000184645_200025704644 [0,2,0,0,0,0|2,0,0]=4 4449 B12R1.71 [13CH3]Sc1ccc(cc1)SCCN 62a_200025704644_100000184645 [0,2,0,0,0,0|2,0,0]=4 4450 B12R1.385 CCCCc1ccc(c(c1)Br)Br 271570a_100020621405_100012356285 [0,2,0,0,0,0|2,0,0]=4 4451 B12R1.385 CCCCc1ccc(c(c1)Br)C 271570a_100020621405_100011847877 [0,2,0,0,0,0|2,0,0]=4 4452 B12R1.385 CCCCc1ccc(c(c1)Br)Cl 271570a_100020621405_100012353702 [0,2,0,0,0,0|2,0,0]=4 4453 B12R1.385 CCCCc1ccc(c(c1)Br)F 271570a_100020621405_100012047266 [0,2,0,0,0,0|2,0,0]=4 4454 B12R1.385 CCCCc1ccc(c(c1)Br)N 271570a_100020621405_100000750455 [0,2,0,0,0,0|2,0,0]=4 4455 B12R1.385 CCCCc1ccc(c(c1)Br)O 271570a_100020621405_100012361655 [0,2,0,0,0,0|2,0,0]=4 4456 B12R1.385 CCCCc1ccc(c(c1)C)Br 271570a_100020621405_100009813585 [0,2,0,0,0,0|2,0,0]=4 4457 B12R1.385 CCCCc1ccc(c(c1)C)C 271570a_100020621405_100011215607 [0,2,0,0,0,0|2,0,0]=4 4458 B12R1.385 CCCCc1ccc(c(c1)C)Cl 271570a_100020621405_100000049509 [0,2,0,0,0,0|2,0,0]=4 4459 B12R1.385 CCCCc1ccc(c(c1)C)F 271570a_100020621405_100011218330 [0,2,0,0,0,0|2,0,0]=4 4460 B12R1.385 CCCCc1ccc(c(c1)C)N 271570a_100020621405_100000211769 [0,2,0,0,0,0|2,0,0]=4 4461 B12R1.385 CCCCc1ccc(c(c1)C)O 271570a_100020621405_100000186361 [0,2,0,0,0,0|2,0,0]=4 4462 B12R1.385 CCCCc1ccc(c(c1)Cl)Br 271570a_100020621405_100012047281 [0,2,0,0,0,0|2,0,0]=4 4463 B12R1.385 CCCCc1ccc(c(c1)Cl)C 271570a_100020621405_100011216363 [0,2,0,0,0,0|2,0,0]=4 4464 B12R1.385 CCCCc1ccc(c(c1)Cl)Cl 271570a_100020621405_100011214914 [0,2,0,0,0,0|2,0,0]=4 4465 B12R1.385 CCCCc1ccc(c(c1)Cl)F 271570a_100020621405_100011215976 [0,2,0,0,0,0|2,0,0]=4 4466 B12R1.385 CCCCc1ccc(c(c1)Cl)N 271570a_100020621405_100011218065 [0,2,0,0,0,0|2,0,0]=4 4467 B12R1.385 CCCCc1ccc(c(c1)Cl)O 271570a_100020621405_100012360047 [0,2,0,0,0,0|2,0,0]=4 4468 B12R1.385 CCCCc1ccc(c(c1)F)Br 271570a_100020621405_100000685389 [0,2,0,0,0,0|2,0,0]=4 4469 B12R1.385 CCCCc1ccc(c(c1)F)C 271570a_100020621405_100000720648 [0,2,0,0,0,0|2,0,0]=4 4470 B12R1.385 CCCCc1ccc(c(c1)F)Cl 271570a_100020621405_100011216805 [0,2,0,0,0,0|2,0,0]=4 4471 B12R1.385 CCCCc1ccc(c(c1)F)F 271570a_100020621405_100000750028 [0,2,0,0,0,0|2,0,0]=4 4472 B12R1.385 CCCCc1ccc(c(c1)F)N 271570a_100020621405_100011215594 [0,2,0,0,0,0|2,0,0]=4 4473 B12R1.385 CCCCc1ccc(c(c1)F)O 271570a_100020621405_100000185481 [0,2,0,0,0,0|2,0,0]=4 4474 B12R1.385 CCCCc1ccc(c(c1)N)Br 271570a_100020621405_100000750456 [0,2,0,0,0,0|2,0,0]=4 4475 B12R1.385 CCCCc1ccc(c(c1)N)C 271570a_100020621405_100000761890 [0,2,0,0,0,0|2,0,0]=4 4476 B12R1.385 CCCCc1ccc(c(c1)N)Cl 271570a_100020621405_200000761891 [0,2,0,0,0,0|2,0,0]=4 4477 B12R1.385 CCCCc1ccc(c(c1)N)F 271570a_100020621405_100000740924 [0,2,0,0,0,0|2,0,0]=4 4478 B12R1.385 CCCCc1ccc(c(c1)N)N 271570a_100020621405_100000741789 [0,2,0,0,0,0|2,0,0]=4 4479 B12R1.385 CCCCc1ccc(c(c1)N)O 271570a_100020621405_100000752626 [0,2,0,0,0,0|2,0,0]=4 4480 B12R1.385 CCCCc1ccc(c(c1)O)Br 271570a_100020621405_100012356990 [0,2,0,0,0,0|2,0,0]=4 4481 B12R1.385 CCCCc1ccc(c(c1)O)C 271570a_100020621405_100000766334 [0,2,0,0,0,0|2,0,0]=4 4482 B12R1.385 CCCCc1ccc(c(c1)O)Cl 271570a_100020621405_100011356854 [0,2,0,0,0,0|2,0,0]=4 4483 B12R1.385 CCCCc1ccc(c(c1)O)F 271570a_100020621405_100000686035 [0,2,0,0,0,0|2,0,0]=4 4484 B12R1.385 CCCCc1ccc(c(c1)O)N 271570a_100020621405_100000739049 [0,2,0,0,0,0|2,0,0]=4 4485 B12R1.385 CCCCc1ccc(c(c1)O)O 271570a_100020621405_100009813601 [0,2,0,0,0,0|2,0,0]=4 4486 B12R1.385 CNCCc1ccc(c(c1)C)C 2230a_100020591374_200000210301 [0,2,0,0,0,0|1,0,0]=3 4487 B12R1.385 CNCCc1ccc(c(c1)C)C 34a_100020591374_200000210301 [0,2,0,0,0,0|1,0,0]=3 4488 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200000210301 [0,2,0,0,0,0|1,0,0]=3 4489 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 2230a_106832991635_100011713676 [0,2,0,0,0,0|1,0,0]=3 4490 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200000210301 [0,2,0,0,0,0|1,0,0]=3 4491 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 34a_100102657272_100011713676 [0,2,0,0,0,0|1,0,0]=3 4492 B12R1.385 CNCCc1ccc(c(c1)Cl)Cl 7a_106832991635_100011713676 [0,2,0,0,0,0|1,0,0]=3 4493 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_106832991635_100012361305 [0,2,0,0,0,0|1,0,0]=3 4494 B12R1.385 CNCCc1ccc(c(c1)Cl)F 2230a_200011997520_200000210301 [0,2,0,0,0,0|1,0,0]=3 4495 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_100102657272_100012361305 [0,2,0,0,0,0|1,0,0]=3 4496 B12R1.385 CNCCc1ccc(c(c1)Cl)F 34a_200011997520_200000210301 [0,2,0,0,0,0|1,0,0]=3 4497 B12R1.385 CNCCc1ccc(c(c1)Cl)F 7a_106832991635_100012361305 [0,2,0,0,0,0|1,0,0]=3 4498 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_106832991635_100000690553 [0,2,0,0,0,0|1,0,0]=3 4499 B12R1.385 CNCCc1ccc(c(c1)F)F 2230a_200000706328_200000210301 [0,2,0,0,0,0|1,0,0]=3 4500 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_100102657272_100000690553 [0,2,0,0,0,0|1,0,0]=3 4501 B12R1.385 CNCCc1ccc(c(c1)F)F 34a_200000706328_200000210301 [0,2,0,0,0,0|1,0,0]=3 4502 B12R1.385 CNCCc1ccc(c(c1)F)F 7a_106832991635_100000690553 [0,2,0,0,0,0|1,0,0]=3 4503 B12R1.385 CNCCc1ccc(c(c1)O)O 34a_100000210387_200000210301 [0,2,0,0,0,0|1,0,0]=3 4504 B12R1.385 CNCCc1ccc(c(c1)O)O 7a_106832991635_200010393615 [0,2,0,0,0,0|1,0,0]=3 4505 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200000210301 [0,2,0,0,0,0|2,0,0]=4 4506 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 34a_100138415774_100011713676 [0,2,0,0,0,0|2,0,0]=4 4507 B12R1.385 COCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200000210301 [0,2,0,0,0,0|2,0,0]=4 4508 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100011830478_200000210301 [0,2,0,0,0,0|2,0,0]=4 4509 B12R1.385 COCCc1ccc(c(c1)Cl)F 34a_100138415774_100012361305 [0,2,0,0,0,0|2,0,0]=4 4510 B12R1.385 COCCc1ccc(c(c1)Cl)F 7a_100011830478_200000210301 [0,2,0,0,0,0|2,0,0]=4 4511 B12R1.385 COCCc1ccc(c(c1)F)Br 34a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 4512 B12R1.385 COCCc1ccc(c(c1)F)Br 7a_100012921202_200000210301 [0,2,0,0,0,0|2,0,0]=4 4513 B12R1.385 COCCc1ccc(c(c1)F)Cl 34a_100011934464_200000210301 [0,2,0,0,0,0|2,0,0]=4 4514 B12R1.385 COCCc1ccc(c(c1)F)Cl 7a_100011934464_200000210301 [0,2,0,0,0,0|2,0,0]=4 4515 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100000690376_200000210301 [0,2,0,0,0,0|2,0,0]=4 4516 B12R1.385 COCCc1ccc(c(c1)F)F 34a_100138415774_100000690553 [0,2,0,0,0,0|2,0,0]=4 4517 B12R1.385 COCCc1ccc(c(c1)F)F 7a_100000690376_200000210301 [0,2,0,0,0,0|2,0,0]=4 4518 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200000210301 [0,2,0,0,0,0|2,0,0]=4 4519 B12R1.385 CSCCc1ccc(c(c1)Cl)Cl 62a_200000210301_100011713676 [0,2,0,0,0,0|2,0,0]=4 4520 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_100012361305_200000210301 [0,2,0,0,0,0|2,0,0]=4 4521 B12R1.385 CSCCc1ccc(c(c1)Cl)F 62a_200000210301_100012361305 [0,2,0,0,0,0|2,0,0]=4 4522 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_100000690553_200000210301 [0,2,0,0,0,0|2,0,0]=4 4523 B12R1.385 CSCCc1ccc(c(c1)F)F 62a_200000210301_100000690553 [0,2,0,0,0,0|2,0,0]=4 4524 B12R1.385 CSCCc1ccc(c(c1)O)O 62a_200000210301_200010393615 [0,2,0,0,0,0|2,0,0]=4 4525 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 2230a_100020591374_200025704644 [0,2,0,0,0,0|1,0,0]=3 4526 B12R1.385 Cc1ccc(cc1C)CCN[13CH3] 34a_100020591374_200025704644 [0,2,0,0,0,0|1,0,0]=3 4527 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200025704644 [0,2,0,0,0,0|1,0,0]=3 4528 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200025704644 [0,2,0,0,0,0|1,0,0]=3 4529 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200025704644 [0,2,0,0,0,0|1,0,0]=3 4530 B12R1.385 [13CH3]NCCc1ccc(c(c1)Cl)F 34a_200011997520_200025704644 [0,2,0,0,0,0|1,0,0]=3 4531 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 2230a_200000706328_200025704644 [0,2,0,0,0,0|1,0,0]=3 4532 B12R1.385 [13CH3]NCCc1ccc(c(c1)F)F 34a_200000706328_200025704644 [0,2,0,0,0,0|1,0,0]=3 4533 B12R1.385 [13CH3]NCCc1ccc(c(c1)O)O 34a_100000210387_200025704644 [0,2,0,0,0,0|1,0,0]=3 4534 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 34a_100011709245_200025704644 [0,2,0,0,0,0|2,0,0]=4 4535 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)Cl 7a_100011709245_200025704644 [0,2,0,0,0,0|2,0,0]=4 4536 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 34a_100011830478_200025704644 [0,2,0,0,0,0|2,0,0]=4 4537 B12R1.385 [13CH3]OCCc1ccc(c(c1)Cl)F 7a_100011830478_200025704644 [0,2,0,0,0,0|2,0,0]=4 4538 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 34a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 4539 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Br 7a_100012921202_200025704644 [0,2,0,0,0,0|2,0,0]=4 4540 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 34a_100011934464_200025704644 [0,2,0,0,0,0|2,0,0]=4 4541 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)Cl 7a_100011934464_200025704644 [0,2,0,0,0,0|2,0,0]=4 4542 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 34a_100000690376_200025704644 [0,2,0,0,0,0|2,0,0]=4 4543 B12R1.385 [13CH3]OCCc1ccc(c(c1)F)F 7a_100000690376_200025704644 [0,2,0,0,0,0|2,0,0]=4 4544 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_100011713676_200025704644 [0,2,0,0,0,0|2,0,0]=4 4545 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)Cl 62a_200025704644_100011713676 [0,2,0,0,0,0|2,0,0]=4 4546 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_100012361305_200025704644 [0,2,0,0,0,0|2,0,0]=4 4547 B12R1.385 [13CH3]SCCc1ccc(c(c1)Cl)F 62a_200025704644_100012361305 [0,2,0,0,0,0|2,0,0]=4 4548 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_100000690553_200025704644 [0,2,0,0,0,0|2,0,0]=4 4549 B12R1.385 [13CH3]SCCc1ccc(c(c1)F)F 62a_200025704644_100000690553 [0,2,0,0,0,0|2,0,0]=4 4550 B12R1.385 [13CH3]SCCc1ccc(c(c1)O)O 62a_200025704644_200010393615 [0,2,0,0,0,0|2,0,0]=4 4551 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,2,0,0,0,0|2,0,0]=4 4552 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,2,0,0,0,0|2,0,0]=4 4553 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,2,0,0,0,0|2,0,0]=4 4554 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,2,0,0,0,0|2,0,0]=4 4555 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,2,0,0,0,0|1,0,0]=3 4556 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,2,0,0,0,0|2,0,0]=4 4557 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,2,0,0,0,0|2,0,0]=4 4558 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,2,0,0,0,0|2,0,0]=4 4559 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,2,0,0,0,0|2,0,0]=4 4560 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,2,0,0,0,0|2,0,0]=4 4561 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,2,0,0,0,0|2,0,0]=4 4562 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,2,0,0,0,0|2,0,0]=4 4563 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,2,0,0,0,0|2,0,0]=4 4564 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,2,0,0,0,0|2,0,0]=4 4565 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4566 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,2,0,0,0,0|2,0,0]=4 4567 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4568 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,2,0,0,0,0|2,0,0]=4 4569 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,2,0,0,0,0|2,0,0]=4 4570 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,2,0,0,0,0|2,0,0]=4 4571 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,2,0,0,0,0|2,0,0]=4 4572 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,2,0,0,0,0|2,0,0]=4 4573 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 4574 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,2,0,0,0,0|2,0,0]=4 4575 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,2,0,0,0,0|1,0,0]=3 4576 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,2,0,0,0,0|2,0,0]=4 4577 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,2,0,0,0,0|2,0,0]=4 4578 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,2,0,0,0,0|2,0,0]=4 4579 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,2,0,0,0,0|2,0,0]=4 4580 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 4581 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,2,0,0,0,0|2,0,0]=4 4582 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,2,0,0,0,0|1,0,1]=4 4583 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,2,0,0,0,0|2,0,0]=4 4584 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,2,0,0,0,0|2,0,0]=4 4585 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,2,0,0,0,0|2,0,0]=4 4586 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,2,0,0,0,0|2,0,0]=4 4587 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,2,0,0,0,0|2,0,0]=4 4588 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,2,0,0,0,0|1,0,0]=3 4589 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,2,0,0,0,0|1,0,1]=4 4590 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,2,0,0,0,0|2,0,0]=4 4591 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,2,0,0,0,0|2,0,0]=4 4592 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,2,0,0,0,0|2,0,0]=4 4593 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,2,0,0,0,0|2,0,0]=4 4594 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,2,0,0,0,0|1,0,1]=4 4595 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,2,0,0,0,0|1,0,1]=4 4596 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,2,0,0,0,0|1,0,1]=4 4597 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|1,0,1]=4 4598 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|1,0,1]=4 4599 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|1,0,1]=4 4600 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,2,0,0,0,0|1,0,1]=4 4601 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,2,0,0,0,0|1,0,1]=4 4602 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,2,0,0,0,0|1,0,1]=4 4603 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,2,0,0,0,0|1,0,1]=4 4604 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,2,0,0,0,0|1,0,1]=4 4605 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,2,0,0,0,0|1,0,1]=4 4606 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,2,0,0,0,0|1,0,1]=4 4607 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,2,0,0,0,0|1,0,0]=3 4608 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,2,0,0,0,0|1,0,0]=3 4609 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,2,0,0,0,0|1,0,0]=3 4610 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,2,0,0,0,0|2,0,0]=4 4611 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,2,0,0,0,0|2,0,0]=4 4612 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,2,0,0,0,0|2,0,0]=4 4613 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,2,0,0,0,0|2,0,0]=4 4614 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,2,0,0,0,0|2,0,0]=4 4615 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,2,0,0,0,0|2,0,0]=4 4616 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,2,0,0,0,0|1,0,0]=3 4617 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,2,0,0,0,0|1,0,0]=3 4618 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,2,0,0,0,0|2,0,0]=4 4619 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,2,0,0,0,0|2,0,0]=4 4620 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,2,0,0,0,0|2,0,0]=4 4621 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,2,0,0,0,0|2,0,0]=4 4622 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [0,2,0,0,0,0|2,0,0]=4 4623 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [0,2,0,0,0,0|2,0,0]=4 4624 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [0,2,0,0,0,0|2,0,0]=4 4625 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,2,0,0,0,0|2,0,0]=4 4626 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,2,0,0,0,0|2,0,0]=4 4627 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,2,0,0,0,0|2,0,0]=4 4628 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,2,0,0,0,0|2,0,0]=4 4629 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,2,0,0,0,0|2,0,0]=4 4630 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,2,0,0,0,0|2,0,0]=4 4631 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,2,0,0,0,0|2,0,0]=4 4632 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 4633 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 4634 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,2,0,0,0,0|2,0,0]=4 4635 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,2,0,0,0,0|2,0,0]=4 4636 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,2,0,0,0,0|2,0,0]=4 4637 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,2,0,0,0,0|2,0,0]=4 4638 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,2,0,0,0,0|2,0,0]=4 4639 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,2,0,0,0,0|2,0,0]=4 4640 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,2,0,0,0,0|2,0,0]=4 4641 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,2,0,0,0,0|2,0,0]=4 4642 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,2,0,0,0,0|1,0,0]=3 4643 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,2,0,0,0,0|2,0,0]=4 4644 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,2,0,0,0,0|2,0,0]=4 4645 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,2,0,0,0,0|2,0,0]=4 4646 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,2,0,0,0,0|2,0,0]=4 4647 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,2,0,0,0,0|2,0,0]=4 4648 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,2,0,0,0,0|2,0,0]=4 4649 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,2,0,0,0,0|2,0,0]=4 4650 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,2,0,0,0,0|2,0,0]=4 4651 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,2,0,0,0,0|2,0,0]=4 4652 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,2,0,0,0,0|2,0,0]=4 4653 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,2,0,0,0,0|1,0,0]=3 4654 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,2,0,0,0,0|1,0,1]=4 4655 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,2,0,0,0,0|1,0,1]=4 4656 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,2,0,0,0,0|2,0,0]=4 4657 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,2,0,0,0,0|2,0,0]=4 4658 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,2,0,0,0,0|2,0,0]=4 4659 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,2,0,0,0,0|2,0,0]=4 4660 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,2,0,0,0,0|2,0,0]=4 4661 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,2,0,0,0,0|2,0,0]=4 4662 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,2,0,0,0,0|2,0,0]=4 4663 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,2,0,0,0,0|2,0,0]=4 4664 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 4665 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,2,0,0,0,0|2,0,0]=4 4666 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 4667 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,2,0,0,0,0|2,0,0]=4 4668 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,2,0,0,0,0|2,0,0]=4 4669 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 4670 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 4671 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,2,0,0,0,0|2,0,0]=4 4672 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,2,0,0,0,0|2,0,0]=4 4673 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,2,0,0,0,0|2,0,0]=4 4674 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,2,0,0,0,0|2,0,0]=4 4675 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,2,0,0,0,0|2,0,0]=4 4676 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,2,0,0,0,0|2,0,0]=4 4677 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,2,0,0,0,0|2,0,0]=4 4678 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,2,0,0,0,0|2,0,0]=4 4679 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,2,0,0,0,0|1,0,0]=3 4680 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,2,0,0,0,0|1,0,0]=3 4681 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,2,0,0,0,0|1,0,0]=3 4682 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,2,0,0,0,0|1,0,0]=3 4683 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,2,0,0,0,0|1,0,0]=3 4684 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,2,0,0,0,0|1,0,0]=3 4685 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,2,0,0,0,0|2,0,0]=4 4686 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,2,0,0,0,0|2,0,0]=4 4687 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,2,0,0,0,0|1,0,0]=3 4688 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,2,0,0,0,0|2,0,0]=4 4689 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,2,0,0,0,0|2,0,0]=4 4690 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,2,0,0,0,0|2,0,0]=4 4691 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,2,0,0,0,0|2,0,0]=4 4692 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,2,0,0,0,0|2,0,0]=4 4693 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,2,0,0,0,0|2,0,0]=4 4694 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,2,0,0,0,0|2,0,0]=4 4695 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,2,0,0,0,0|2,0,0]=4 4696 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,2,0,0,0,0|2,0,0]=4 4697 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,2,0,0,0,0|2,0,0]=4 4698 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,2,0,0,0,0|2,0,0]=4 4699 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,2,0,0,0,0|2,0,0]=4 4700 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,2,0,0,0,0|1,0,1]=4 4701 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,2,0,0,0,0|1,0,1]=4 4702 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,2,0,0,0,0|1,0,1]=4 4703 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,2,0,0,0,0|2,0,0]=4 4704 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,2,0,0,0,0|2,0,0]=4 4705 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,2,0,0,0,0|2,0,0]=4 4706 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,2,0,0,0,0|2,0,0]=4 4707 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4708 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,2,0,0,0,0|2,0,0]=4 4709 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4710 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,2,0,0,0,0|2,0,0]=4 4711 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4712 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 4713 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,2,0,0,0,0|1,0,0]=3 4714 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,2,0,0,0,0|1,0,0]=3 4715 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,2,0,0,0,0|1,0,0]=3 4716 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,2,0,0,0,0|1,0,0]=3 4717 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,2,0,0,0,0|1,0,0]=3 4718 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,2,0,0,0,0|1,0,0]=3 4719 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,2,0,0,0,0|1,0,0]=3 4720 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,2,0,0,0,0|1,0,0]=3 4721 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,2,0,0,0,0|1,0,1]=4 4722 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,2,0,0,0,0|2,0,0]=4 4723 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,2,0,0,0,0|2,0,0]=4 4724 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,2,0,0,0,0|2,0,0]=4 4725 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,2,0,0,0,0|2,0,0]=4 4726 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,2,0,0,0,0|2,0,0]=4 4727 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,2,0,0,0,0|2,0,0]=4 4728 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,2,0,0,0,0|2,0,0]=4 4729 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,2,0,0,0,0|2,0,0]=4 4730 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,2,0,0,0,0|2,0,0]=4 4731 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,2,0,0,0,0|2,0,0]=4 4732 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,2,0,0,0,0|2,0,0]=4 4738 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,2,0,0,0,0|2,0,0]=4 4739 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,2,0,0,0,0|2,0,0]=4 4740 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,2,0,0,0,0|2,0,0]=4 4741 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,2,0,0,0,0|2,0,0]=4 4742 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,2,0,0,0,0|2,0,0]=4 4743 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,2,0,0,0,0|2,0,0]=4 4744 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,2,0,0,0,0|1,0,1]=4 4745 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,2,0,0,0,0|1,0,1]=4 4749 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,2,0,0,0,0|2,0,0]=4 4753 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,2,0,0,0,0|2,0,0]=4 4754 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,2,0,0,0,0|2,0,0]=4 4755 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,2,0,0,0,0|1,0,1]=4 4756 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,2,0,0,0,0|2,0,0]=4 4757 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,2,0,0,0,0|2,0,0]=4 4758 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,2,0,0,0,0|2,0,0]=4 4759 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,2,0,0,0,0|2,0,0]=4 4760 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,2,0,0,0,0|2,0,0]=4 4761 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,2,0,0,0,0|2,0,0]=4 4762 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,2,0,0,0,0|2,0,0]=4 4763 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,2,0,0,0,0|1,0,1]=4 4764 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4765 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4766 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4767 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,2,0,0,0,0|1,0,0]=3 4768 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,2,0,0,0,0|2,0,0]=4 4774 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,2,0,0,0,0|1,0,1]=4 4775 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 4776 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 4777 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,2,0,0,0,0|1,0,1]=4 4778 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,2,0,0,0,0|1,0,1]=4 4779 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 4780 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 4781 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,2,0,0,0,0|1,0,1]=4 4782 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,2,0,0,0,0|1,0,1]=4 4783 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,2,0,0,0,0|1,0,1]=4 4784 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,2,0,0,0,0|1,0,1]=4 4785 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,2,0,0,0,0|1,0,0]=3 4788 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,2,0,0,0,0|1,0,0]=3 4792 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,2,0,0,0,0|1,0,0]=3 4793 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,2,0,0,0,0|1,0,0]=3 4794 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [0,2,0,0,0,0|1,0,0]=3 4795 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [0,2,0,0,0,0|1,0,0]=3 4796 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,2,0,0,0,0|2,0,0]=4 4797 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [0,2,0,0,0,0|1,1,0]=4 4798 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [0,2,0,0,0,0|1,1,0]=4 4799 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,2,0,0,0,0|2,0,0]=4 4800 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [0,2,0,0,0,0|2,0,0]=4 4801 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [0,2,0,0,0,0|2,0,0]=4 4802 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [0,2,0,0,0,0|2,0,0]=4 4803 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [0,2,0,0,0,0|2,0,0]=4 4804 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [0,2,0,0,0,0|2,0,0]=4 4805 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [0,2,0,0,0,0|2,0,0]=4 4807 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,2,0,0,0,0|2,0,0]=4 4815 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,2,0,0,0,0|1,0,0]=3 4816 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,2,0,0,0,0|1,0,0]=3 4817 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,2,0,0,0,0|1,0,0]=3 4818 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,2,0,0,0,0|1,0,1]=4 4819 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,2,0,0,0,0|1,0,0]=3 4820 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,2,0,0,0,0|1,0,0]=3 4821 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,2,0,0,0,0|1,0,0]=3 4822 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,2,0,0,0,0|2,0,0]=4 4823 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,2,0,0,0,0|1,0,0]=3 4824 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,2,0,0,0,0|2,0,0]=4 4825 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 4826 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 4827 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,2,0,0,0,0|2,0,0]=4 4829 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,2,0,0,0,0|1,0,0]=3 4830 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,2,0,0,0,0|1,0,0]=3 4831 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,2,0,0,0,0|1,0,1]=4 4832 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,2,0,0,0,0|1,0,1]=4 4836 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,2,0,0,0,0|1,0,1]=4 4837 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,2,0,0,0,0|1,0,1]=4 4838 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,2,0,0,0,0|1,0,1]=4 4839 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,2,0,0,0,0|1,0,1]=4 4840 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,2,0,0,0,0|1,0,1]=4 4841 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,2,0,0,0,0|1,0,1]=4 4842 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,2,0,0,0,0|1,0,1]=4 4843 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,2,0,0,0,0|1,0,0]=3 4844 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,2,0,0,0,0|1,0,0]=3 4845 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,2,0,0,0,0|1,0,0]=3 4846 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,2,0,0,0,0|2,0,0]=4 4847 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 4848 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,2,0,0,0,0|2,0,0]=4 4849 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,2,0,0,0,0|1,0,0]=3 4850 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,2,0,0,0,0|1,0,0]=3 4851 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,2,0,0,0,0|1,0,0]=3 4852 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,2,0,0,0,0|2,0,0]=4 4853 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 4854 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,2,0,0,0,0|2,0,0]=4 4855 B12R1.25 CCCCc1cccc(c1Br)O 271570a_100020621405_100010187914 [0,2,0,0,0,0|2,0,0]=4 4856 B12R1.25 CCCCc1cccc(c1C)Br 271570a_100020621405_100012353703 [0,2,0,0,0,0|2,0,0]=4 4857 B12R1.25 CCCCc1cccc(c1C)C 271570a_100020621405_100011214922 [0,2,0,0,0,0|2,0,0]=4 4858 B12R1.25 CCCCc1cccc(c1C)Cl 271570a_100020621405_100000726075 [0,2,0,0,0,0|2,0,0]=4 4859 B12R1.25 CCCCc1cccc(c1C)F 271570a_100020621405_100011216893 [0,2,0,0,0,0|2,0,0]=4 4860 B12R1.25 CCCCc1cccc(c1C)N 271570a_100020621405_100000761887 [0,2,0,0,0,0|2,0,0]=4 4861 B12R1.25 CCCCc1cccc(c1C)O 271570a_100020621405_100012002258 [0,2,0,0,0,0|2,0,0]=4 4862 B12R1.25 CCCCc1cccc(c1Cl)Br 271570a_100020621405_100010142854 [0,2,0,0,0,0|2,0,0]=4 4863 B12R1.25 CCCCc1cccc(c1Cl)C 271570a_100020621405_200012352035 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.25 CCCCc1cccc(c1Cl)Cl 271570a_100020621405_100011215384 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.25 CCCCc1cccc(c1Cl)F 271570a_100020621405_200010234923 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.25 CCCCc1cccc(c1Cl)O 271570a_100020621405_100000049636 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.25 CCCCc1cccc(c1F)Br 271570a_100020621405_100000702267 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.25 CCCCc1cccc(c1F)C 271570a_100020621405_100000717567 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.25 CCCCc1cccc(c1F)Cl 271570a_100020621405_100011217346 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.25 CCCCc1cccc(c1F)F 271570a_100020621405_100000694657 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.25 CCCCc1cccc(c1F)N 271570a_100020621405_100011935091 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.25 CCCCc1cccc(c1F)O 271570a_100020621405_100009817021 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.25 CCCCc1cccc(c1N)Br 271570a_100020621405_100010146558 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.25 CCCCc1cccc(c1N)C 271570a_100020621405_100011834072 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.25 CCCCc1cccc(c1N)Cl 271570a_100020621405_100010190421 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.25 CCCCc1cccc(c1N)F 271570a_100020621405_100000042321 [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.25 CCCCc1cccc(c1N)N 271570a_100020621405_100015191791 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.25 CCCCc1cccc(c1N)O 271570a_100020621405_100011934926 [0,2,0,0,0,0|2,0,0]=4 4879 B12R1.25 CCCCc1cccc(c1O)Br 271570a_100020621405_100010084509 [0,2,0,0,0,0|2,0,0]=4 4880 B12R1.25 CCCCc1cccc(c1O)C 271570a_100020621405_100009817157 [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.25 CCCCc1cccc(c1O)Cl 271570a_100020621405_100010202889 [0,2,0,0,0,0|2,0,0]=4 4882 B12R1.25 CCCCc1cccc(c1O)F 271570a_100020621405_100009813666 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.25 CCCCc1cccc(c1O)N 271570a_100020621405_100011934915 [0,2,0,0,0,0|2,0,0]=4 4884 B12R1.25 CCCCc1cccc(c1O)O 271570a_100020621405_100009815950 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.25 CNCCc1cccc(c1C)Br 2230a_100161000114_200000210301 [0,2,0,0,0,0|1,0,0]=3 4886 B12R1.25 CNCCc1cccc(c1C)Br 34a_100161000114_200000210301 [0,2,0,0,0,0|1,0,0]=3 4887 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_100000741019_200000210301 [0,2,0,0,0,0|1,0,0]=3 4888 B12R1.25 CNCCc1cccc(c1Cl)Cl 2230a_106832991635_100000723033 [0,2,0,0,0,0|1,0,0]=3 4889 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100000741019_200000210301 [0,2,0,0,0,0|1,0,0]=3 4890 B12R1.25 CNCCc1cccc(c1Cl)Cl 34a_100102657272_100000723033 [0,2,0,0,0,0|1,0,0]=3 4891 B12R1.25 CNCCc1cccc(c1Cl)Cl 7a_106832991635_100000723033 [0,2,0,0,0,0|1,0,0]=3 4892 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100011754357_200000210301 [0,2,0,0,0,0|2,0,0]=4 4893 B12R1.25 COCCc1cccc(c1Cl)Cl 34a_100138415774_100000723033 [0,2,0,0,0,0|2,0,0]=4 4894 B12R1.25 COCCc1cccc(c1Cl)Cl 7a_100011754357_200000210301 [0,2,0,0,0,0|2,0,0]=4 4895 B12R1.25 COCCc1cccc(c1F)Cl 34a_100011830271_200000210301 [0,2,0,0,0,0|2,0,0]=4 4896 B12R1.25 COCCc1cccc(c1F)Cl 7a_100011830271_200000210301 [0,2,0,0,0,0|2,0,0]=4 4897 B12R1.25 COCCc1cccc(c1F)F 34a_100000698707_200000210301 [0,2,0,0,0,0|2,0,0]=4 4898 B12R1.25 COCCc1cccc(c1F)F 7a_100000698707_200000210301 [0,2,0,0,0,0|2,0,0]=4 4899 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_100000723033_200000210301 [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.25 CSCCc1cccc(c1Cl)Cl 62a_200000210301_100000723033 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 2230a_100161000114_200025704644 [0,2,0,0,0,0|1,0,0]=3 4902 B12R1.25 Cc1c(cccc1CCN[13CH3])Br 34a_100161000114_200025704644 [0,2,0,0,0,0|1,0,0]=3 4903 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 2230a_100000741019_200025704644 [0,2,0,0,0,0|1,0,0]=3 4904 B12R1.25 [13CH3]NCCc1cccc(c1Cl)Cl 34a_100000741019_200025704644 [0,2,0,0,0,0|1,0,0]=3 4905 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 34a_100011754357_200025704644 [0,2,0,0,0,0|2,0,0]=4 4906 B12R1.25 [13CH3]OCCc1cccc(c1Cl)Cl 7a_100011754357_200025704644 [0,2,0,0,0,0|2,0,0]=4 4907 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 34a_100011830271_200025704644 [0,2,0,0,0,0|2,0,0]=4 4908 B12R1.25 [13CH3]OCCc1cccc(c1F)Cl 7a_100011830271_200025704644 [0,2,0,0,0,0|2,0,0]=4 4909 B12R1.25 [13CH3]OCCc1cccc(c1F)F 34a_100000698707_200025704644 [0,2,0,0,0,0|2,0,0]=4 4910 B12R1.25 [13CH3]OCCc1cccc(c1F)F 7a_100000698707_200025704644 [0,2,0,0,0,0|2,0,0]=4 4911 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_100000723033_200025704644 [0,2,0,0,0,0|2,0,0]=4 4912 B12R1.25 [13CH3]SCCc1cccc(c1Cl)Cl 62a_200025704644_100000723033 [0,2,0,0,0,0|2,0,0]=4 4913 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.121 C=Cc1ccccc1CCCO 271570a_100011290941_100000699526 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|2,0,0]=4 4916 B12R1.121 CCCCc1ccccc1C#N 271570a_100020621405_100000188569 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.121 CCCCc1ccccc1C=O 271570a_100020621405_100000211189 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,2,0,0,0,0|2,0,0]=4 4919 B12R1.121 CCCCc1ccccc1CN 271570a_100020621405_100000689332 [0,2,0,0,0,0|2,0,0]=4 4920 B12R1.121 CCCCc1ccccc1CO 271570a_100020621405_100000187465 [0,2,0,0,0,0|2,0,0]=4 4921 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 4922 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.121 CCCCc1ccccc1NN 271570a_100020621405_100000241748 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 4928 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 4929 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,2,0,0,0,0|2,0,0]=4 4930 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,2,0,0,0,0|2,0,0]=4 4931 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,2,0,0,0,0|1,0,0]=3 4932 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,2,0,0,0,0|1,0,0]=3 4933 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,2,0,0,0,0|1,0,0]=3 4934 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,2,0,0,0,0|1,0,0]=3 4935 B12R1.121 CNCCc1ccccc1C#N 2230a_106832991635_200013032965 [0,2,0,0,0,0|1,0,0]=3 4936 B12R1.121 CNCCc1ccccc1C#N 34a_100102657272_200013032965 [0,2,0,0,0,0|1,0,0]=3 4937 B12R1.121 CNCCc1ccccc1C#N 7a_106832991635_200013032965 [0,2,0,0,0,0|1,0,0]=3 4938 B12R1.121 CNCCc1ccccc1C=O 2230a_106832991635_100010186698 [0,2,0,0,0,0|1,0,0]=3 4939 B12R1.121 CNCCc1ccccc1C=O 34a_100102657272_100010186698 [0,2,0,0,0,0|1,0,0]=3 4940 B12R1.121 CNCCc1ccccc1C=O 7a_106832991635_100010186698 [0,2,0,0,0,0|1,0,0]=3 4941 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,2,0,0,0,0|1,0,0]=3 4942 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,2,0,0,0,0|1,0,0]=3 4943 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,2,0,0,0,0|1,0,0]=3 4944 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,2,0,0,0,0|1,0,0]=3 4945 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,2,0,0,0,0|1,0,0]=3 4946 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,2,0,0,0,0|1,0,0]=3 4947 B12R1.121 CNCCc1ccccc1[Pd]Cl 2230a_106741704370_200000210301 [0,2,0,0,0,0|1,0,0]=3 4948 B12R1.121 CNCCc1ccccc1[Pd]Cl 34a_106741704370_200000210301 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.121 CNCCc1ccccc1[Pd]Cl 7a_106741704370_200000210301 [0,2,0,0,0,0|1,0,0]=3 4950 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,2,0,0,0,0|2,0,0]=4 4951 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,2,0,0,0,0|2,0,0]=4 4952 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,2,0,0,0,0|2,0,0]=4 4953 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,2,0,0,0,0|2,0,0]=4 4954 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,2,0,0,0,0|2,0,0]=4 4955 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,2,0,0,0,0|2,0,0]=4 4957 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,2,0,0,0,0|2,0,0]=4 4958 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,2,0,0,0,0|2,0,0]=4 4959 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,2,0,0,0,0|1,0,0]=3 4960 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,2,0,0,0,0|1,0,0]=3 4961 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,2,0,0,0,0|2,0,0]=4 4962 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,2,0,0,0,0|2,0,0]=4 4963 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,2,0,0,0,0|2,0,0]=4 4964 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,2,0,0,0,0|2,0,0]=4 4965 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,2,0,0,0,0|2,0,0]=4 4966 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,2,0,0,0,0|2,0,0]=4 4967 B12R1.121 CSCCc1ccccc1C#N 62a_200000210301_200013032965 [0,2,0,0,0,0|2,0,0]=4 4968 B12R1.121 CSCCc1ccccc1C=O 62a_100010186698_200000210301 [0,2,0,0,0,0|2,0,0]=4 4969 B12R1.121 CSCCc1ccccc1C=O 62a_200000210301_100010186698 [0,2,0,0,0,0|2,0,0]=4 4970 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 2230a_106741704370_200025704644 [0,2,0,0,0,0|1,0,0]=3 4977 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 34a_106741704370_200025704644 [0,2,0,0,0,0|1,0,0]=3 4978 B12R1.121 [13CH3]NCCc1ccccc1[Pd]Cl 7a_106741704370_200025704644 [0,2,0,0,0,0|1,0,0]=3 4979 B12R1.121 [13CH3]SCCc1ccccc1C#N 62a_200025704644_200013032965 [0,2,0,0,0,0|2,0,0]=4 4980 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_100010186698_200025704644 [0,2,0,0,0,0|2,0,0]=4 4981 B12R1.121 [13CH3]SCCc1ccccc1C=O 62a_200025704644_100010186698 [0,2,0,0,0,0|2,0,0]=4 4982 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|2,0,0]=4 4983 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|2,0,0]=4 4984 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,2,0,0,0,0|2,0,0]=4 4985 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,2,0,0,0,0|2,0,0]=4 4986 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|2,0,0]=4 4987 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|2,0,0]=4 4988 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,2,0,0,0,0|2,0,0]=4 4989 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,2,0,0,0,0|2,0,0]=4 4990 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,2,0,0,0,0|2,0,0]=4 4991 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,2,0,0,0,0|2,0,0]=4 4992 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,2,0,0,0,0|2,0,0]=4 4993 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,2,0,0,0,0|2,0,0]=4 4995 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,2,0,0,0,0|2,0,0]=4 4996 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,2,0,0,0,0|2,0,0]=4 4997 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.125 CN(C)CCc1ccccc1Br 2230a_100102631434_100012161201 [0,2,0,0,0,0|1,0,0]=3 5000 B12R1.125 CN(C)CCc1ccccc1Br 269982a_100102631434_100012161201 [0,2,0,0,0,0|1,0,0]=3 5001 B12R1.125 CN(C)CCc1ccccc1Cl 2230a_100102631434_100011713703 [0,2,0,0,0,0|1,0,0]=3 5002 B12R1.125 CN(C)CCc1ccccc1Cl 269982a_100102631434_100011713703 [0,2,0,0,0,0|1,0,0]=3 5003 B12R1.125 CN(C)CCc1ccccc1Cl 270004a_100102631434_200011713468 [0,2,0,0,0,0|1,0,0]=3 5004 B12R1.125 CN(C)CCc1ccccc1F 2230a_100000232559_200000210301 [0,2,0,0,0,0|1,0,0]=3 5005 B12R1.125 CN(C)CCc1ccccc1F 2230a_100102631434_100011713696 [0,2,0,0,0,0|1,0,0]=3 5006 B12R1.125 CN(C)CCc1ccccc1F 269982a_100000232559_200000210301 [0,2,0,0,0,0|1,0,0]=3 5007 B12R1.125 CN(C)CCc1ccccc1F 269982a_100102631434_100011713696 [0,2,0,0,0,0|1,0,0]=3 5008 B12R1.125 CN(C)CCc1ccccc1F 34a_100000232559_200000210301 [0,2,0,0,0,0|1,0,0]=3 5009 B12R1.125 CN(C)CCc1ccccc1O 269982a_100102631434_100000722297 [0,2,0,0,0,0|1,0,0]=3 5010 B12R1.125 CN([13CH3])CCc1ccccc1F 2230a_100000232559_200025704644 [0,2,0,0,0,0|1,0,0]=3 5011 B12R1.125 CN([13CH3])CCc1ccccc1F 269982a_100000232559_200025704644 [0,2,0,0,0,0|1,0,0]=3 5012 B12R1.125 CN([13CH3])CCc1ccccc1F 34a_100000232559_200025704644 [0,2,0,0,0,0|1,0,0]=3 5013 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,2,0,0,0,0|2,0,0]=4 5014 B12R1.125 Cc1ccccc1CCN(C)C 2230a_100102631434_100011713688 [0,2,0,0,0,0|1,0,0]=3 5015 B12R1.125 Cc1ccccc1CCN(C)C 269982a_100102631434_100011713688 [0,2,0,0,0,0|1,0,0]=3 5016 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,2,0,0,0,0|2,0,0]=4 5017 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,2,0,0,0,0|2,0,0]=4 5018 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,2,0,0,0,0|2,0,0]=4 5019 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,2,0,0,0,0|2,0,0]=4 5020 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,2,0,0,0,0|2,0,0]=4 5021 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,2,0,0,0,0|1,0,0]=3 5022 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,2,0,0,0,0|2,0,0]=4 5024 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,2,0,0,0,0|2,0,0]=4 5029 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,2,0,0,0,0|2,0,0]=4 5031 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,2,0,0,0,0|2,0,0]=4 5032 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,2,0,0,0,0|2,0,0]=4 5033 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,2,0,0,0,0|2,0,0]=4 5034 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,2,0,0,0,0|2,0,0]=4 5035 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 5036 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,2,0,0,0,0|2,0,0]=4 5037 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,2,0,0,0,0|2,0,0]=4 5038 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,2,0,0,0,0|2,0,0]=4 5039 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,2,0,0,0,0|2,0,0]=4 5040 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,2,0,0,0,0|2,0,0]=4 5041 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,2,0,0,0,0|2,0,0]=4 5042 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,2,0,0,0,0|2,0,0]=4 5043 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,2,0,0,0,0|2,0,0]=4 5044 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,2,0,0,0,0|2,0,0]=4 5045 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,2,0,0,0,0|2,0,0]=4 5047 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,2,0,0,0,0|2,0,0]=4 5050 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,2,0,0,0,0|2,0,0]=4 5051 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,2,0,0,0,0|2,0,0]=4 5052 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,2,0,0,0,0|2,0,0]=4 5053 B12R1.267 BrCCOCc1ccccc1Br 34a_100000211926_100000184730 [0,2,0,0,0,0|2,0,0]=4 5054 B12R1.267 BrCCOCc1ccccc1I 34a_100000211926_100011215278 [0,2,0,0,0,0|2,0,0]=4 5055 B12R1.267 C#CCCNc1ccccc1Br 34a_100000210017_100000688953 [0,2,0,0,0,0|2,0,0]=4 5056 B12R1.267 C#CCCNc1ccccc1C 34a_100015192222_100000688953 [0,2,0,0,0,0|2,0,0]=4 5057 B12R1.267 C#CCCNc1ccccc1Cl 34a_100000185783_100000688953 [0,2,0,0,0,0|2,0,0]=4 5058 B12R1.267 C#CCCNc1ccccc1F 34a_100000210422_100000688953 [0,2,0,0,0,0|2,0,0]=4 5059 B12R1.267 C#CCCNc1ccccc1I 34a_100000210053_100000688953 [0,2,0,0,0,0|2,0,0]=4 5060 B12R1.267 C#CCCNc1ccccc1O 34a_100000185747_100000688953 [0,2,0,0,0,0|2,0,0]=4 5061 B12R1.267 C#CCCOc1ccccc1Br 34a_100000181306_100000688953 [0,2,0,0,0,0|2,0,0]=4 5062 B12R1.267 C#CCCOc1ccccc1Br 7a_100000181306_100000688953 [0,2,0,0,0,0|2,0,0]=4 5063 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [0,2,0,0,0,0|2,0,0]=4 5064 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [0,2,0,0,0,0|2,0,0]=4 5065 B12R1.267 C#CCCOc1ccccc1Cl 34a_100000210172_100000688953 [0,2,0,0,0,0|2,0,0]=4 5066 B12R1.267 C#CCCOc1ccccc1Cl 7a_100000210172_100000688953 [0,2,0,0,0,0|2,0,0]=4 5067 B12R1.267 C#CCCOc1ccccc1F 34a_100000210171_100000688953 [0,2,0,0,0,0|2,0,0]=4 5068 B12R1.267 C#CCCOc1ccccc1F 7a_100000210171_100000688953 [0,2,0,0,0,0|2,0,0]=4 5069 B12R1.267 C#CCCOc1ccccc1I 34a_100000739446_100000688953 [0,2,0,0,0,0|2,0,0]=4 5070 B12R1.267 C#CCCOc1ccccc1I 7a_100000739446_100000688953 [0,2,0,0,0,0|2,0,0]=4 5071 B12R1.267 C#CCCOc1ccccc1N 34a_100000185747_100000688953 [0,2,0,0,0,0|2,0,0]=4 5072 B12R1.267 C#CCCOc1ccccc1N 7a_100000185747_100000688953 [0,2,0,0,0,0|2,0,0]=4 5073 B12R1.267 C#CCCSc1ccccc1Br 62a_100000688953_100000695589 [0,2,0,0,0,0|2,0,0]=4 5074 B12R1.267 C#CCCSc1ccccc1Br 62a_100000695589_100000688953 [0,2,0,0,0,0|2,0,0]=4 5075 B12R1.267 C#CCCSc1ccccc1C 62a_100000210755_100000688953 [0,2,0,0,0,0|2,0,0]=4 5076 B12R1.267 C#CCCSc1ccccc1C 62a_100000688953_100000210755 [0,2,0,0,0,0|2,0,0]=4 5077 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000688953_100000764095 [0,2,0,0,0,0|2,0,0]=4 5078 B12R1.267 C#CCCSc1ccccc1Cl 62a_100000764095_100000688953 [0,2,0,0,0,0|2,0,0]=4 5079 B12R1.267 C#CCCSc1ccccc1F 62a_100000688953_100011215700 [0,2,0,0,0,0|2,0,0]=4 5080 B12R1.267 C#CCCSc1ccccc1F 62a_100011215700_100000688953 [0,2,0,0,0,0|2,0,0]=4 5081 B12R1.267 C#CCCSc1ccccc1N 62a_100000210017_100000688953 [0,2,0,0,0,0|2,0,0]=4 5082 B12R1.267 C#CCCSc1ccccc1N 62a_100000688953_100000210017 [0,2,0,0,0,0|2,0,0]=4 5083 B12R1.267 C#CCCSc1ccccc1O 62a_100000688953_100000739446 [0,2,0,0,0,0|2,0,0]=4 5084 B12R1.267 C#CCCSc1ccccc1O 62a_100000739446_100000688953 [0,2,0,0,0,0|2,0,0]=4 5085 B12R1.267 C#CCNCc1ccccc1Br 2230a_100000689332_100000038162 [0,2,0,0,0,0|2,0,0]=4 5086 B12R1.267 C#CCNCc1ccccc1Br 34a_100000212058_100000184730 [0,2,0,0,0,0|2,0,0]=4 5087 B12R1.267 C#CCNCc1ccccc1Br 34a_100000689332_100000184674 [0,2,0,0,0,0|2,0,0]=4 5088 B12R1.267 C#CCNCc1ccccc1C 34a_100000174972_100000184674 [0,2,0,0,0,0|2,0,0]=4 5089 B12R1.267 C#CCNCc1ccccc1C 34a_100000212058_100000211839 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.267 C#CCNCc1ccccc1Cl 2230a_100000174879_100000038162 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000174879_100000184674 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000212058_100000187162 [0,2,0,0,0,0|2,0,0]=4 5093 B12R1.267 C#CCNCc1ccccc1F 34a_100000174869_100000184674 [0,2,0,0,0,0|2,0,0]=4 5094 B12R1.267 C#CCNCc1ccccc1F 34a_100000212058_100000211605 [0,2,0,0,0,0|2,0,0]=4 5095 B12R1.267 C#CCNCc1ccccc1I 34a_100000212058_100011215278 [0,2,0,0,0,0|2,0,0]=4 5096 B12R1.267 C#CCNCc1ccccc1O 34a_100000185550_100000184674 [0,2,0,0,0,0|2,0,0]=4 5097 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [0,2,0,0,0,0|2,0,0]=4 5098 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [0,2,0,0,0,0|2,0,0]=4 5099 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [0,2,0,0,0,0|2,0,0]=4 5100 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [0,2,0,0,0,0|2,0,0]=4 5101 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [0,2,0,0,0,0|2,0,0]=4 5102 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [0,2,0,0,0,0|2,0,0]=4 5103 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [0,2,0,0,0,0|2,0,0]=4 5104 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [0,2,0,0,0,0|2,0,0]=4 5105 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [0,2,0,0,0,0|2,0,0]=4 5106 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [0,2,0,0,0,0|2,0,0]=4 5107 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [0,2,0,0,0,0|2,0,0]=4 5108 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [0,2,0,0,0,0|2,0,0]=4 5109 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [0,2,0,0,0,0|2,0,0]=4 5110 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [0,2,0,0,0,0|2,0,0]=4 5111 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [0,2,0,0,0,0|2,0,0]=4 5113 B12R1.267 C#CCSCc1ccccc1Br 62a_100000038162_100000184730 [0,2,0,0,0,0|2,0,0]=4 5114 B12R1.267 C#CCSCc1ccccc1C 62a_100000038162_100000211839 [0,2,0,0,0,0|2,0,0]=4 5115 B12R1.267 C#CCSCc1ccccc1Cl 62a_100000038162_100000187162 [0,2,0,0,0,0|2,0,0]=4 5116 B12R1.267 C#CCSCc1ccccc1F 62a_100000038162_100000211605 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.267 C#CCSCc1ccccc1I 62a_100000038162_100011216222 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.267 C=CCCNc1ccccc1Br 34a_100000210017_100000754431 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.267 C=CCCNc1ccccc1C 34a_100015192222_100000754431 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.267 C=CCCNc1ccccc1Cl 34a_100000185783_100000754431 [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.267 C=CCCNc1ccccc1F 34a_100000210422_100000754431 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.267 C=CCCNc1ccccc1I 34a_100000210053_100000754431 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.267 C=CCCNc1ccccc1O 34a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.267 C=CCCOc1ccccc1Br 34a_100000181306_100000754431 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.267 C=CCCOc1ccccc1Br 7a_100000181306_100000754431 [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.267 C=CCCOc1ccccc1C 34a_100000210338_100000754431 [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.267 C=CCCOc1ccccc1C 7a_100000210338_100000754431 [0,2,0,0,0,0|2,0,0]=4 5128 B12R1.267 C=CCCOc1ccccc1Cl 34a_100000210172_100000754431 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.267 C=CCCOc1ccccc1Cl 7a_100000210172_100000754431 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.267 C=CCCOc1ccccc1F 34a_100000210171_100000754431 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.267 C=CCCOc1ccccc1F 7a_100000210171_100000754431 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.267 C=CCCOc1ccccc1I 34a_100000739446_100000754431 [0,2,0,0,0,0|2,0,0]=4 5133 B12R1.267 C=CCCOc1ccccc1I 7a_100000739446_100000754431 [0,2,0,0,0,0|2,0,0]=4 5134 B12R1.267 C=CCCOc1ccccc1N 34a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 5135 B12R1.267 C=CCCOc1ccccc1N 7a_100000185747_100000754431 [0,2,0,0,0,0|2,0,0]=4 5136 B12R1.267 C=CCCSc1ccccc1Br 62a_100000695589_100000754431 [0,2,0,0,0,0|2,0,0]=4 5137 B12R1.267 C=CCCSc1ccccc1Br 62a_100000754431_100000695589 [0,2,0,0,0,0|2,0,0]=4 5138 B12R1.267 C=CCCSc1ccccc1C 62a_100000210755_100000754431 [0,2,0,0,0,0|2,0,0]=4 5139 B12R1.267 C=CCCSc1ccccc1C 62a_100000754431_100000210755 [0,2,0,0,0,0|2,0,0]=4 5140 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000754431_100000764095 [0,2,0,0,0,0|2,0,0]=4 5141 B12R1.267 C=CCCSc1ccccc1Cl 62a_100000764095_100000754431 [0,2,0,0,0,0|2,0,0]=4 5142 B12R1.267 C=CCCSc1ccccc1F 62a_100000754431_100011215700 [0,2,0,0,0,0|2,0,0]=4 5143 B12R1.267 C=CCCSc1ccccc1F 62a_100011215700_100000754431 [0,2,0,0,0,0|2,0,0]=4 5144 B12R1.267 C=CCCSc1ccccc1N 62a_100000210017_100000754431 [0,2,0,0,0,0|2,0,0]=4 5145 B12R1.267 C=CCCSc1ccccc1N 62a_100000754431_100000210017 [0,2,0,0,0,0|2,0,0]=4 5146 B12R1.267 C=CCCSc1ccccc1O 62a_100000739446_100000754431 [0,2,0,0,0,0|2,0,0]=4 5147 B12R1.267 C=CCCSc1ccccc1O 62a_100000754431_100000739446 [0,2,0,0,0,0|2,0,0]=4 5148 B12R1.267 C=CCNCc1ccccc1Br 2230a_100000689332_100000210623 [0,2,0,0,0,0|2,0,0]=4 5149 B12R1.267 C=CCNCc1ccccc1Br 2230a_100020586998_100000184730 [0,2,0,0,0,0|2,0,0]=4 5150 B12R1.267 C=CCNCc1ccccc1Br 270004a_100020586998_100000211189 [0,2,0,0,0,0|2,0,0]=4 5151 B12R1.267 C=CCNCc1ccccc1Br 34a_100000689332_100015514636 [0,2,0,0,0,0|2,0,0]=4 5152 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [0,2,0,0,0,0|2,0,0]=4 5153 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [0,2,0,0,0,0|2,0,0]=4 5154 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [0,2,0,0,0,0|2,0,0]=4 5155 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100000174879_100000210623 [0,2,0,0,0,0|2,0,0]=4 5156 B12R1.267 C=CCNCc1ccccc1Cl 2230a_100020586998_100000187162 [0,2,0,0,0,0|2,0,0]=4 5157 B12R1.267 C=CCNCc1ccccc1Cl 270004a_100020586998_100000210073 [0,2,0,0,0,0|2,0,0]=4 5158 B12R1.267 C=CCNCc1ccccc1Cl 34a_100000174879_100015514636 [0,2,0,0,0,0|2,0,0]=4 5159 B12R1.267 C=CCNCc1ccccc1F 2230a_100020586998_100000211605 [0,2,0,0,0,0|2,0,0]=4 5160 B12R1.267 C=CCNCc1ccccc1F 270004a_100020586998_100000210811 [0,2,0,0,0,0|2,0,0]=4 5161 B12R1.267 C=CCNCc1ccccc1F 34a_100000174869_100015514636 [0,2,0,0,0,0|2,0,0]=4 5162 B12R1.267 C=CCNCc1ccccc1I 2230a_100020586998_100011215278 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.267 C=CCNCc1ccccc1I 270004a_100020586998_100000010305 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.267 C=CCNCc1ccccc1O 34a_100000185550_100015514636 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.267 C=CCOCc1ccccc1Br 34a_100000756307_100015514636 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.267 C=CCOCc1ccccc1Br 34a_200000210373_100000184730 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.267 C=CCOCc1ccccc1Br 7a_100000756307_100015514636 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.267 C=CCOCc1ccccc1C 34a_100000698903_100015514636 [0,2,0,0,0,0|2,0,0]=4 5169 B12R1.267 C=CCOCc1ccccc1C 34a_200000210373_100000211839 [0,2,0,0,0,0|2,0,0]=4 5170 B12R1.267 C=CCOCc1ccccc1C 7a_100000698903_100015514636 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.267 C=CCOCc1ccccc1Cl 34a_100000210847_100015514636 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.267 C=CCOCc1ccccc1Cl 34a_200000210373_100000187162 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.267 C=CCOCc1ccccc1Cl 7a_100000210847_100015514636 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.267 C=CCOCc1ccccc1F 34a_100000211962_100015514636 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.267 C=CCOCc1ccccc1F 34a_200000210373_100000211605 [0,2,0,0,0,0|2,0,0]=4 5176 B12R1.267 C=CCOCc1ccccc1F 7a_100000211962_100015514636 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.267 C=CCOCc1ccccc1I 34a_100000187465_100015514636 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.267 C=CCOCc1ccccc1I 34a_200000210373_100011215278 [0,2,0,0,0,0|2,0,0]=4 5179 B12R1.267 C=CCOCc1ccccc1I 7a_100000187465_100015514636 [0,2,0,0,0,0|2,0,0]=4 5180 B12R1.267 C=CCOCc1ccccc1N 34a_100000212039_100015514636 [0,2,0,0,0,0|2,0,0]=4 5181 B12R1.267 C=CCSCc1ccccc1Br 62a_100000184730_100000210623 [0,2,0,0,0,0|2,0,0]=4 5182 B12R1.267 C=CCSCc1ccccc1Br 62a_100000210623_100000184730 [0,2,0,0,0,0|2,0,0]=4 5183 B12R1.267 C=CCSCc1ccccc1C 62a_100000210623_100000211839 [0,2,0,0,0,0|2,0,0]=4 5184 B12R1.267 C=CCSCc1ccccc1C 62a_100000211839_100000210623 [0,2,0,0,0,0|2,0,0]=4 5185 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000187162_100000210623 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.267 C=CCSCc1ccccc1Cl 62a_100000210623_100000187162 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.267 C=CCSCc1ccccc1F 62a_100000210623_100000211605 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.267 C=CCSCc1ccccc1F 62a_100000211605_100000210623 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.267 C=CCSCc1ccccc1I 62a_100000210623_100011216222 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.267 C=CCSCc1ccccc1I 62a_100011216222_100000210623 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.267 CCCCNc1ccccc1Br 34a_100000210017_100000210210 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.267 CCCCNc1ccccc1C 34a_100015192222_100000210210 [0,2,0,0,0,0|2,0,0]=4 5193 B12R1.267 CCCCNc1ccccc1Cl 34a_100000185783_100000210210 [0,2,0,0,0,0|2,0,0]=4 5194 B12R1.267 CCCCNc1ccccc1F 34a_100000210422_100000210210 [0,2,0,0,0,0|2,0,0]=4 5195 B12R1.267 CCCCNc1ccccc1I 34a_100000210053_100000210210 [0,2,0,0,0,0|2,0,0]=4 5196 B12R1.267 CCCCNc1ccccc1O 34a_100000185747_100000210210 [0,2,0,0,0,0|2,0,0]=4 5197 B12R1.267 CCCCOc1ccccc1Br 34a_100000181306_100000210210 [0,2,0,0,0,0|2,0,0]=4 5198 B12R1.267 CCCCOc1ccccc1Br 7a_100000181306_100000210211 [0,2,0,0,0,0|2,0,0]=4 5199 B12R1.267 CCCCOc1ccccc1C 34a_100000210338_100000210210 [0,2,0,0,0,0|2,0,0]=4 5200 B12R1.267 CCCCOc1ccccc1C 7a_100000210338_100000210211 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.267 CCCCOc1ccccc1Cl 34a_100000210172_100000210210 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.267 CCCCOc1ccccc1Cl 7a_100000210172_100000210211 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.267 CCCCOc1ccccc1F 34a_100000210171_100000210210 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.267 CCCCOc1ccccc1F 7a_100000210171_100000210211 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.267 CCCCOc1ccccc1I 34a_100000739446_100000210210 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.267 CCCCOc1ccccc1I 7a_100000739446_100000210211 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.267 CCCCOc1ccccc1N 34a_100000185747_100000210210 [0,2,0,0,0,0|2,0,0]=4 5208 B12R1.267 CCCCOc1ccccc1N 7a_100000185747_100000210211 [0,2,0,0,0,0|2,0,0]=4 5209 B12R1.267 CCCCOc1ccccc1O 271570a_203496583355_100000230755 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.267 CCCCSc1ccccc1Br 62a_100000210211_100000695589 [0,2,0,0,0,0|2,0,0]=4 5211 B12R1.267 CCCCSc1ccccc1Br 62a_100000695589_100000210210 [0,2,0,0,0,0|2,0,0]=4 5212 B12R1.267 CCCCSc1ccccc1C 62a_100000210211_100000210755 [0,2,0,0,0,0|2,0,0]=4 5213 B12R1.267 CCCCSc1ccccc1C 62a_100000210755_100000210210 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.267 CCCCSc1ccccc1Cl 62a_100000210211_100000764095 [0,2,0,0,0,0|2,0,0]=4 5215 B12R1.267 CCCCSc1ccccc1Cl 62a_100000764095_100000210210 [0,2,0,0,0,0|2,0,0]=4 5216 B12R1.267 CCCCSc1ccccc1F 62a_100000210211_100011215700 [0,2,0,0,0,0|2,0,0]=4 5217 B12R1.267 CCCCSc1ccccc1F 62a_100011215700_100000210210 [0,2,0,0,0,0|2,0,0]=4 5218 B12R1.267 CCCCSc1ccccc1N 62a_100000210017_100000210210 [0,2,0,0,0,0|2,0,0]=4 5219 B12R1.267 CCCCSc1ccccc1N 62a_100000210211_100000210017 [0,2,0,0,0,0|2,0,0]=4 5220 B12R1.267 CCCCSc1ccccc1O 62a_100000210211_100000739446 [0,2,0,0,0,0|2,0,0]=4 5221 B12R1.267 CCCCSc1ccccc1O 62a_100000739446_100000210210 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 5224 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,2,0,0,0,0|2,0,0]=4 5225 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,2,0,0,0,0|2,0,0]=4 5228 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,2,0,0,0,0|2,0,0]=4 5229 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,2,0,0,0,0|2,0,0]=4 5230 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,2,0,0,0,0|2,0,0]=4 5231 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,2,0,0,0,0|2,0,0]=4 5235 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,2,0,0,0,0|2,0,0]=4 5236 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,2,0,0,0,0|2,0,0]=4 5240 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,2,0,0,0,0|2,0,0]=4 5241 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,2,0,0,0,0|2,0,0]=4 5242 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,2,0,0,0,0|2,0,0]=4 5243 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,2,0,0,0,0|2,0,0]=4 5244 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,2,0,0,0,0|2,0,0]=4 5245 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,2,0,0,0,0|2,0,0]=4 5246 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,2,0,0,0,0|2,0,0]=4 5247 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,2,0,0,0,0|2,0,0]=4 5248 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,2,0,0,0,0|2,0,0]=4 5249 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,2,0,0,0,0|2,0,0]=4 5250 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,2,0,0,0,0|2,0,0]=4 5251 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,2,0,0,0,0|2,0,0]=4 5252 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,2,0,0,0,0|2,0,0]=4 5253 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,2,0,0,0,0|2,0,0]=4 5254 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,2,0,0,0,0|2,0,0]=4 5257 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,2,0,0,0,0|2,0,0]=4 5258 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,2,0,0,0,0|2,0,0]=4 5259 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,2,0,0,0,0|2,0,0]=4 5260 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,2,0,0,0,0|2,0,0]=4 5263 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,2,0,0,0,0|2,0,0]=4 5264 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,2,0,0,0,0|2,0,0]=4 5265 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,2,0,0,0,0|2,0,0]=4 5266 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,2,0,0,0,0|2,0,0]=4 5267 B12R1.267 CCNCCc1ccccc1Br 2230a_100000747383_100000210202 [0,2,0,0,0,0|1,0,0]=3 5268 B12R1.267 CCNCCc1ccccc1Br 2230a_100015525214_100012161201 [0,2,0,0,0,0|1,0,0]=3 5269 B12R1.267 CCNCCc1ccccc1Br 34a_100000747383_100000210202 [0,2,0,0,0,0|1,0,0]=3 5270 B12R1.267 CCNCCc1ccccc1C 2230a_100000685071_100000210202 [0,2,0,0,0,0|1,0,0]=3 5271 B12R1.267 CCNCCc1ccccc1C 2230a_100015525214_100011713688 [0,2,0,0,0,0|1,0,0]=3 5272 B12R1.267 CCNCCc1ccccc1C 34a_100000685071_100000210202 [0,2,0,0,0,0|1,0,0]=3 5273 B12R1.267 CCNCCc1ccccc1Cl 2230a_100011207228_100000210202 [0,2,0,0,0,0|1,0,0]=3 5274 B12R1.267 CCNCCc1ccccc1Cl 2230a_100015525214_100011713703 [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.267 CCNCCc1ccccc1Cl 270004a_100015525214_200011713468 [0,2,0,0,0,0|1,0,0]=3 5276 B12R1.267 CCNCCc1ccccc1Cl 34a_100011207228_100000210202 [0,2,0,0,0,0|1,0,0]=3 5277 B12R1.267 CCNCCc1ccccc1F 2230a_100000185272_100000210202 [0,2,0,0,0,0|1,0,0]=3 5278 B12R1.267 CCNCCc1ccccc1F 2230a_100015525214_100011713696 [0,2,0,0,0,0|1,0,0]=3 5279 B12R1.267 CCNCCc1ccccc1F 34a_100000185272_100000210202 [0,2,0,0,0,0|1,0,0]=3 5280 B12R1.267 CCNCCc1ccccc1O 34a_100011207237_100000210202 [0,2,0,0,0,0|1,0,0]=3 5281 B12R1.267 CCNCCn1ccccc1=O 2230a_100000687133_100000210202 [0,2,0,0,0,0|2,0,0]=4 5282 B12R1.267 CCOCCc1ccccc1Br 34a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 5283 B12R1.267 CCOCCc1ccccc1Br 34a_100121572206_100012161201 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.267 CCOCCc1ccccc1Br 7a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.267 CCOCCc1ccccc1C 34a_100011220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.267 CCOCCc1ccccc1C 34a_100121572206_100011713688 [0,2,0,0,0,0|2,0,0]=4 5287 B12R1.267 CCOCCc1ccccc1C 7a_100011220023_100000210202 [0,2,0,0,0,0|2,0,0]=4 5288 B12R1.267 CCOCCc1ccccc1Cl 34a_100011215284_100000210202 [0,2,0,0,0,0|2,0,0]=4 5289 B12R1.267 CCOCCc1ccccc1Cl 34a_100121572206_100011713703 [0,2,0,0,0,0|2,0,0]=4 5290 B12R1.267 CCOCCc1ccccc1Cl 7a_100011215284_100000210202 [0,2,0,0,0,0|2,0,0]=4 5291 B12R1.267 CCOCCc1ccccc1F 34a_100000753711_100000210202 [0,2,0,0,0,0|2,0,0]=4 5292 B12R1.267 CCOCCc1ccccc1F 34a_100121572206_100000720011 [0,2,0,0,0,0|2,0,0]=4 5293 B12R1.267 CCOCCc1ccccc1F 7a_100000753711_100000210202 [0,2,0,0,0,0|2,0,0]=4 5294 B12R1.267 CCOCCc1ccccc1I 34a_100010255290_100000210202 [0,2,0,0,0,0|2,0,0]=4 5295 B12R1.267 CCOCCc1ccccc1I 7a_100010255290_100000210202 [0,2,0,0,0,0|2,0,0]=4 5296 B12R1.267 CCOCCc1ccccc1N 34a_100011215289_100000210202 [0,2,0,0,0,0|2,0,0]=4 5297 B12R1.267 CCOCCc1ccccc1O 34a_100121572206_100000722297 [0,2,0,0,0,0|2,0,0]=4 5298 B12R1.267 CCSCCc1ccccc1Br 62a_100000210202_100012161201 [0,2,0,0,0,0|2,0,0]=4 5299 B12R1.267 CCSCCc1ccccc1Br 62a_100012161201_100000210202 [0,2,0,0,0,0|2,0,0]=4 5300 B12R1.267 CCSCCc1ccccc1C 62a_100000210202_100011713688 [0,2,0,0,0,0|2,0,0]=4 5301 B12R1.267 CCSCCc1ccccc1C 62a_100011713688_100000210202 [0,2,0,0,0,0|2,0,0]=4 5302 B12R1.267 CCSCCc1ccccc1Cl 62a_100000210202_100011713703 [0,2,0,0,0,0|2,0,0]=4 5303 B12R1.267 CCSCCc1ccccc1Cl 62a_100011713703_100000210202 [0,2,0,0,0,0|2,0,0]=4 5304 B12R1.267 CCSCCc1ccccc1F 62a_100000210202_100011713696 [0,2,0,0,0,0|2,0,0]=4 5305 B12R1.267 CCSCCc1ccccc1F 62a_100011713696_100000210202 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.267 CCSCCc1ccccc1O 62a_100000210202_100000722297 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.267 CCSCCc1ccccc1O 62a_100000722297_100000210202 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.267 CNCC#Cc1ccccc1Br 2230a_106832991635_100010706765 [0,2,0,0,0,0|1,0,1]=4 5309 B12R1.267 CNCC#Cc1ccccc1Br 34a_100102657272_100010706765 [0,2,0,0,0,0|1,0,1]=4 5310 B12R1.267 CNCC#Cc1ccccc1Br 7a_106832991635_100010706765 [0,2,0,0,0,0|1,0,1]=4 5311 B12R1.267 CNCC#Cc1ccccc1F 2230a_106832991635_100010404167 [0,2,0,0,0,0|1,0,1]=4 5312 B12R1.267 CNCC#Cc1ccccc1F 34a_100102657272_100010404167 [0,2,0,0,0,0|1,0,1]=4 5313 B12R1.267 CNCC#Cc1ccccc1F 7a_106832991635_100010404167 [0,2,0,0,0,0|1,0,1]=4 5314 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [0,2,0,0,0,0|1,0,1]=4 5315 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [0,2,0,0,0,0|1,0,1]=4 5316 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [0,2,0,0,0,0|1,0,1]=4 5317 B12R1.267 CNCCCc1ccccc1Br 2230a_106832991635_200011713681 [0,2,0,0,0,0|1,0,0]=3 5318 B12R1.267 CNCCCc1ccccc1Br 34a_100102657272_200011713681 [0,2,0,0,0,0|1,0,0]=3 5319 B12R1.267 CNCCCc1ccccc1Br 7a_106832991635_200011713681 [0,2,0,0,0,0|1,0,0]=3 5320 B12R1.267 CNCCCc1ccccc1F 2230a_100000724733_200000210301 [0,2,0,0,0,0|1,0,0]=3 5321 B12R1.267 CNCCCc1ccccc1F 34a_100000724733_200000210301 [0,2,0,0,0,0|1,0,0]=3 5322 B12R1.267 CNCCOc1ccccc1Br 2230a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 5323 B12R1.267 CNCCOc1ccccc1Br 2230a_106832991635_100000695877 [0,2,0,0,0,0|1,0,0]=3 5324 B12R1.267 CNCCOc1ccccc1Br 34a_100000744007_200000210301 [0,2,0,0,0,0|1,0,0]=3 5325 B12R1.267 CNCCOc1ccccc1Br 34a_100102657272_100000695877 [0,2,0,0,0,0|1,0,0]=3 5326 B12R1.267 CNCCOc1ccccc1Br 7a_106832991635_100000695877 [0,2,0,0,0,0|1,0,0]=3 5327 B12R1.267 CNCCOc1ccccc1C 2230a_100000743344_200000210301 [0,2,0,0,0,0|1,0,0]=3 5328 B12R1.267 CNCCOc1ccccc1C 2230a_106832991635_100000184434 [0,2,0,0,0,0|1,0,0]=3 5329 B12R1.267 CNCCOc1ccccc1C 34a_100000743344_200000210301 [0,2,0,0,0,0|1,0,0]=3 5330 B12R1.267 CNCCOc1ccccc1C 34a_100102657272_100000184434 [0,2,0,0,0,0|1,0,0]=3 5331 B12R1.267 CNCCOc1ccccc1C 7a_106832991635_100000184434 [0,2,0,0,0,0|1,0,0]=3 5332 B12R1.267 CNCCOc1ccccc1Cl 2230a_100000174932_200000210301 [0,2,0,0,0,0|1,0,0]=3 5333 B12R1.267 CNCCOc1ccccc1Cl 34a_100000174932_200000210301 [0,2,0,0,0,0|1,0,0]=3 5334 B12R1.267 CNCCOc1ccccc1F 2230a_100000683764_200000210301 [0,2,0,0,0,0|1,0,0]=3 5335 B12R1.267 CNCCOc1ccccc1F 2230a_106832991635_100000183290 [0,2,0,0,0,0|1,0,0]=3 5336 B12R1.267 CNCCOc1ccccc1F 34a_100000683764_200000210301 [0,2,0,0,0,0|1,0,0]=3 5337 B12R1.267 CNCCOc1ccccc1F 34a_100102657272_100000183290 [0,2,0,0,0,0|1,0,0]=3 5338 B12R1.267 CNCCOc1ccccc1F 7a_106832991635_100000183290 [0,2,0,0,0,0|1,0,0]=3 5339 B12R1.267 COCCCc1ccccc1Br 34a_100000699526_200000210301 [0,2,0,0,0,0|2,0,0]=4 5340 B12R1.267 COCCCc1ccccc1Br 34a_100138415774_200011713681 [0,2,0,0,0,0|2,0,0]=4 5341 B12R1.267 COCCCc1ccccc1Br 7a_100000699526_200000210301 [0,2,0,0,0,0|2,0,0]=4 5342 B12R1.267 COCCCc1ccccc1Cl 34a_100011709251_200000210301 [0,2,0,0,0,0|2,0,0]=4 5343 B12R1.267 COCCCc1ccccc1Cl 7a_100011709251_200000210301 [0,2,0,0,0,0|2,0,0]=4 5344 B12R1.267 COCCCc1ccccc1F 34a_100011709249_200000210301 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.267 COCCCc1ccccc1F 7a_100011709249_200000210301 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.267 COCCNc1ccccc1Br 34a_100000210017_100011201679 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.267 COCCNc1ccccc1C 34a_100011233185_200000210301 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.267 COCCNc1ccccc1C 34a_100015192222_100011201679 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.267 COCCNc1ccccc1Cl 34a_100000185783_100011201679 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.267 COCCNc1ccccc1F 34a_100000210422_100011201679 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.267 COCCNc1ccccc1I 34a_100000210053_100011201679 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.267 COCCNc1ccccc1N 34a_100000683943_200000210301 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.267 COCCNc1ccccc1O 34a_100000185747_100011201679 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.267 COCCOc1ccccc1Br 34a_100000181306_100011201679 [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.267 COCCOc1ccccc1Br 34a_100000230753_200000210301 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.267 COCCOc1ccccc1Br 34a_100138415774_100000695877 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.267 COCCOc1ccccc1Br 7a_100000181306_100000233755 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.267 COCCOc1ccccc1Br 7a_100000230753_200000210301 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.267 COCCOc1ccccc1C 34a_100000210338_100011201679 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.267 COCCOc1ccccc1C 34a_100138415774_100000184434 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.267 COCCOc1ccccc1C 7a_100000210338_100000233755 [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.267 COCCOc1ccccc1Cl 34a_100000210172_100011201679 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.267 COCCOc1ccccc1Cl 34a_200000230518_200000210301 [0,2,0,0,0,0|2,0,0]=4 5364 B12R1.267 COCCOc1ccccc1Cl 7a_100000210172_100000233755 [0,2,0,0,0,0|2,0,0]=4 5365 B12R1.267 COCCOc1ccccc1Cl 7a_200000230518_200000210301 [0,2,0,0,0,0|2,0,0]=4 5366 B12R1.267 COCCOc1ccccc1F 34a_100000210171_100011201679 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.267 COCCOc1ccccc1F 34a_100000756447_200000210301 [0,2,0,0,0,0|2,0,0]=4 5368 B12R1.267 COCCOc1ccccc1F 34a_100138415774_100000183290 [0,2,0,0,0,0|2,0,0]=4 5369 B12R1.267 COCCOc1ccccc1F 7a_100000210171_100000233755 [0,2,0,0,0,0|2,0,0]=4 5370 B12R1.267 COCCOc1ccccc1F 7a_100000756447_200000210301 [0,2,0,0,0,0|2,0,0]=4 5371 B12R1.267 COCCOc1ccccc1I 34a_100000739446_100011201679 [0,2,0,0,0,0|2,0,0]=4 5372 B12R1.267 COCCOc1ccccc1I 7a_100000739446_100000233755 [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.267 COCCOc1ccccc1N 34a_100000185747_100011201679 [0,2,0,0,0,0|2,0,0]=4 5374 B12R1.267 COCCOc1ccccc1N 34a_100132302172_200000210301 [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.267 COCCOc1ccccc1N 7a_100000185747_100000233755 [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.267 COCCOc1ccccc1O 271570a_203496583355_100000234100 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.267 COCCSc1ccccc1Br 34a_200000230852_200000210301 [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.267 COCCSc1ccccc1Br 62a_100000233755_100000695589 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.267 COCCSc1ccccc1Br 62a_100000695589_100000233755 [0,2,0,0,0,0|2,0,0]=4 5380 B12R1.267 COCCSc1ccccc1Br 7a_200000230852_200000210301 [0,2,0,0,0,0|2,0,0]=4 5381 B12R1.267 COCCSc1ccccc1C 62a_100000210755_100000233755 [0,2,0,0,0,0|2,0,0]=4 5382 B12R1.267 COCCSc1ccccc1C 62a_100000233755_100000210755 [0,2,0,0,0,0|2,0,0]=4 5383 B12R1.267 COCCSc1ccccc1Cl 34a_200000230572_200000210301 [0,2,0,0,0,0|2,0,0]=4 5384 B12R1.267 COCCSc1ccccc1Cl 62a_100000233755_100000764095 [0,2,0,0,0,0|2,0,0]=4 5385 B12R1.267 COCCSc1ccccc1Cl 62a_100000764095_100000233755 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.267 COCCSc1ccccc1Cl 7a_200000230572_200000210301 [0,2,0,0,0,0|2,0,0]=4 5387 B12R1.267 COCCSc1ccccc1F 34a_200000230732_200000210301 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.267 COCCSc1ccccc1F 62a_100000233755_100011215700 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.267 COCCSc1ccccc1F 62a_100011215700_100000233755 [0,2,0,0,0,0|2,0,0]=4 5390 B12R1.267 COCCSc1ccccc1F 7a_200000230732_200000210301 [0,2,0,0,0,0|2,0,0]=4 5391 B12R1.267 COCCSc1ccccc1N 62a_100000210017_100000233755 [0,2,0,0,0,0|2,0,0]=4 5392 B12R1.267 COCCSc1ccccc1N 62a_100000233755_100000210017 [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.267 COCCSc1ccccc1O 271570a_203496583355_200016336083 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.267 COCCSc1ccccc1O 62a_100000233755_100000739446 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.267 COCCSc1ccccc1O 62a_100000739446_100000233755 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,2,0,0,0,0|2,0,0]=4 5397 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.267 COCSCc1ccccc1Br 62a_100000184730_100000766300 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.267 COCSCc1ccccc1Br 62a_100000766300_100000184730 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.267 COCSCc1ccccc1C 62a_100000211839_100000766300 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.267 COCSCc1ccccc1C 62a_100000766300_100000211839 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.267 COCSCc1ccccc1Cl 62a_100000187162_100000766300 [0,2,0,0,0,0|2,0,0]=4 5403 B12R1.267 COCSCc1ccccc1Cl 62a_100000766300_100000187162 [0,2,0,0,0,0|2,0,0]=4 5404 B12R1.267 COCSCc1ccccc1F 62a_100000211605_100000766300 [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.267 COCSCc1ccccc1F 62a_100000766300_100000211605 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.267 COCSCc1ccccc1I 62a_100000766300_100011216222 [0,2,0,0,0,0|2,0,0]=4 5407 B12R1.267 COCSCc1ccccc1I 62a_100011216222_100000766300 [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.267 CSCCCc1ccccc1Br 62a_200000210301_200011713681 [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.267 CSCCCc1ccccc1Br 62a_200011713681_200000210301 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.267 CSCCNc1ccccc1Br 34a_100000210017_100000212216 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.267 CSCCNc1ccccc1C 34a_100015192222_100000212216 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.267 CSCCNc1ccccc1Cl 34a_100000185783_100000212216 [0,2,0,0,0,0|2,0,0]=4 5413 B12R1.267 CSCCNc1ccccc1F 34a_100000210422_100000212216 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.267 CSCCNc1ccccc1I 34a_100000210053_100000212216 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.267 CSCCNc1ccccc1O 34a_100000185747_100000212216 [0,2,0,0,0,0|2,0,0]=4 5416 B12R1.267 CSCCOc1ccccc1Br 34a_100000181306_100000212216 [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.267 CSCCOc1ccccc1Br 62a_100000695877_200000210301 [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.267 CSCCOc1ccccc1Br 62a_200000210301_100000695877 [0,2,0,0,0,0|2,0,0]=4 5419 B12R1.267 CSCCOc1ccccc1Br 7a_100000181306_100000212216 [0,2,0,0,0,0|2,0,0]=4 5420 B12R1.267 CSCCOc1ccccc1C 34a_100000210338_100000212216 [0,2,0,0,0,0|2,0,0]=4 5421 B12R1.267 CSCCOc1ccccc1C 62a_100000184434_200000210301 [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.267 CSCCOc1ccccc1C 62a_200000210301_100000184434 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.267 CSCCOc1ccccc1C 7a_100000210338_100000212216 [0,2,0,0,0,0|2,0,0]=4 5424 B12R1.267 CSCCOc1ccccc1Cl 34a_100000210172_100000212216 [0,2,0,0,0,0|2,0,0]=4 5425 B12R1.267 CSCCOc1ccccc1Cl 7a_100000210172_100000212216 [0,2,0,0,0,0|2,0,0]=4 5426 B12R1.267 CSCCOc1ccccc1F 34a_100000210171_100000212216 [0,2,0,0,0,0|2,0,0]=4 5427 B12R1.267 CSCCOc1ccccc1F 62a_100000183290_200000210301 [0,2,0,0,0,0|2,0,0]=4 5428 B12R1.267 CSCCOc1ccccc1F 62a_200000210301_100000183290 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.267 CSCCOc1ccccc1F 7a_100000210171_100000212216 [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.267 CSCCOc1ccccc1I 34a_100000739446_100000212216 [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.267 CSCCOc1ccccc1I 7a_100000739446_100000212216 [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.267 CSCCOc1ccccc1N 34a_100000185747_100000212216 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.267 CSCCOc1ccccc1N 7a_100000185747_100000212216 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.267 CSCCSc1ccccc1Br 62a_100000212216_100000695589 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.267 CSCCSc1ccccc1Br 62a_100000695589_100000751147 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.267 CSCCSc1ccccc1C 62a_100000210755_100000751147 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.267 CSCCSc1ccccc1C 62a_100000212216_100000210755 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.267 CSCCSc1ccccc1Cl 62a_100000212216_100000764095 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.267 CSCCSc1ccccc1Cl 62a_100000764095_100000751147 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.267 CSCCSc1ccccc1F 62a_100000212216_100011215700 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.267 CSCCSc1ccccc1F 62a_100011215700_100000751147 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.267 CSCCSc1ccccc1N 62a_100000210017_100000751147 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.267 CSCCSc1ccccc1N 62a_100000212216_100000210017 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.267 CSCCSc1ccccc1O 62a_100000212216_100000739446 [0,2,0,0,0,0|2,0,0]=4 5445 B12R1.267 CSCCSc1ccccc1O 62a_100000739446_100000751147 [0,2,0,0,0,0|2,0,0]=4 5446 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,2,0,0,0,0|2,0,0]=4 5447 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,2,0,0,0,0|2,0,0]=4 5449 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,2,0,0,0,0|2,0,0]=4 5450 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,2,0,0,0,0|2,0,0]=4 5451 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,2,0,0,0,0|2,0,0]=4 5452 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,2,0,0,0,0|2,0,0]=4 5453 B12R1.267 CSCOCc1ccccc1Br 34a_100000756307_100011218213 [0,2,0,0,0,0|2,0,0]=4 5454 B12R1.267 CSCOCc1ccccc1C 34a_100000698903_100011218213 [0,2,0,0,0,0|2,0,0]=4 5455 B12R1.267 CSCOCc1ccccc1Cl 34a_100000210847_100011218213 [0,2,0,0,0,0|2,0,0]=4 5456 B12R1.267 CSCOCc1ccccc1F 34a_100000211962_100011218213 [0,2,0,0,0,0|2,0,0]=4 5457 B12R1.267 CSCOCc1ccccc1I 34a_100000187465_100011218213 [0,2,0,0,0,0|2,0,0]=4 5458 B12R1.267 CSCOCc1ccccc1N 34a_100000212039_100011218213 [0,2,0,0,0,0|2,0,0]=4 5459 B12R1.267 CSCSCc1ccccc1Br 62a_100000184730_100011218213 [0,2,0,0,0,0|2,0,0]=4 5460 B12R1.267 CSCSCc1ccccc1Br 62a_100011218213_100000184730 [0,2,0,0,0,0|2,0,0]=4 5461 B12R1.267 CSCSCc1ccccc1C 62a_100000211839_100011218213 [0,2,0,0,0,0|2,0,0]=4 5462 B12R1.267 CSCSCc1ccccc1C 62a_100011218213_100000211839 [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.267 CSCSCc1ccccc1Cl 62a_100000187162_100011218213 [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.267 CSCSCc1ccccc1Cl 62a_100011218213_100000187162 [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.267 CSCSCc1ccccc1F 62a_100000211605_100011218213 [0,2,0,0,0,0|2,0,0]=4 5466 B12R1.267 CSCSCc1ccccc1F 62a_100011218213_100000211605 [0,2,0,0,0,0|2,0,0]=4 5467 B12R1.267 CSCSCc1ccccc1I 62a_100011216222_100011218213 [0,2,0,0,0,0|2,0,0]=4 5468 B12R1.267 CSCSCc1ccccc1I 62a_100011218213_100011216222 [0,2,0,0,0,0|2,0,0]=4 5469 B12R1.267 Cc1ccccc1CCNCF 34a_100000685071_100015361967 [0,2,0,0,0,0|1,0,0]=3 5470 B12R1.267 Cc1ccccc1CCOCF 34a_100011220023_100015361967 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.267 Cc1ccccc1CCOCF 7a_100011220023_100015361967 [0,2,0,0,0,0|2,0,0]=4 5472 B12R1.267 Cc1ccccc1CCSCF 62a_100011713688_100015361967 [0,2,0,0,0,0|2,0,0]=4 5473 B12R1.267 Cc1ccccc1CCSCF 62a_100015361967_100011713688 [0,2,0,0,0,0|2,0,0]=4 5474 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [0,2,0,0,0,0|2,0,0]=4 5475 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,2,0,0,0,0|2,0,0]=4 5476 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,2,0,0,0,0|2,0,0]=4 5477 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,2,0,0,0,0|2,0,0]=4 5478 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,2,0,0,0,0|2,0,0]=4 5480 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,2,0,0,0,0|2,0,0]=4 5482 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [0,2,0,0,0,0|1,0,1]=4 5483 B12R1.267 Cc1ccccc1COCC=O 34a_100000698903_200009817547 [0,2,0,0,0,0|2,0,0]=4 5484 B12R1.267 Cc1ccccc1COCC=O 7a_100000698903_200015260668 [0,2,0,0,0,0|2,0,0]=4 5485 B12R1.267 Cc1ccccc1COCCBr 34a_100000211926_100000211839 [0,2,0,0,0,0|2,0,0]=4 5486 B12R1.267 Cc1ccccc1COCCF 34a_100000698903_100011217306 [0,2,0,0,0,0|2,0,0]=4 5487 B12R1.267 Cc1ccccc1COCCF 7a_100000698903_100011217306 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,2,0,0,0,0|1,0,0]=3 5489 B12R1.267 Cc1ccccc1COCCO 34a_100000698903_100000211926 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.267 Cc1ccccc1COCCO 7a_100000698903_100000211926 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.267 Cc1ccccc1CSCC#N 62a_100000211839_100011215382 [0,2,0,0,0,0|1,0,1]=4 5492 B12R1.267 Cc1ccccc1CSCC#N 62a_100011215382_100000211839 [0,2,0,0,0,0|1,0,1]=4 5493 B12R1.267 Cc1ccccc1CSCC=O 62a_100000211839_200015260668 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.267 Cc1ccccc1CSCC=O 62a_200015260668_100000211839 [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.267 Cc1ccccc1CSCCF 62a_100000211839_100011217306 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.267 Cc1ccccc1CSCCF 62a_100011217306_100000211839 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.267 Cc1ccccc1CSCCO 62a_100000211839_100000211926 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.267 Cc1ccccc1CSCCO 62a_100000211926_100000211839 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.267 Cc1ccccc1NCCCF 34a_100015192222_100011934791 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.267 Cc1ccccc1NCCCO 34a_100015192222_100000230001 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.267 Cc1ccccc1NCCO[13CH3] 34a_100011233185_200025704644 [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.267 Cc1ccccc1OCCC#N 7a_100000210338_100000184422 [0,2,0,0,0,0|1,0,1]=4 5503 B12R1.267 Cc1ccccc1OCCCF 34a_100000210338_100011934791 [0,2,0,0,0,0|2,0,0]=4 5504 B12R1.267 Cc1ccccc1OCCCF 7a_100000210338_100011934791 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.267 Cc1ccccc1OCCCO 34a_100000210338_100000230001 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.267 Cc1ccccc1OCCCO 7a_100000210338_100011215043 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.267 Cc1ccccc1OCCN[13CH3] 2230a_100000743344_200025704644 [0,2,0,0,0,0|1,0,0]=3 5508 B12R1.267 Cc1ccccc1OCCN[13CH3] 34a_100000743344_200025704644 [0,2,0,0,0,0|1,0,0]=3 5509 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_100000184434_200025704644 [0,2,0,0,0,0|2,0,0]=4 5510 B12R1.267 Cc1ccccc1OCCS[13CH3] 62a_200025704644_100000184434 [0,2,0,0,0,0|2,0,0]=4 5511 B12R1.267 Cc1ccccc1SCCC#N 62a_100000210755_100011215226 [0,2,0,0,0,0|1,0,1]=4 5512 B12R1.267 Cc1ccccc1SCCC#N 62a_100011215226_100000210755 [0,2,0,0,0,0|1,0,1]=4 5513 B12R1.267 Cc1ccccc1SCCCF 62a_100000210755_100011934791 [0,2,0,0,0,0|2,0,0]=4 5514 B12R1.267 Cc1ccccc1SCCCF 62a_100011934791_100000210755 [0,2,0,0,0,0|2,0,0]=4 5515 B12R1.267 Cc1ccccc1SCCCO 62a_100000210755_100011215043 [0,2,0,0,0,0|2,0,0]=4 5516 B12R1.267 Cc1ccccc1SCCCO 62a_100011215043_100000210755 [0,2,0,0,0,0|2,0,0]=4 5517 B12R1.267 Cc1cccnc1COCCN 34a_100000210304_100000696600 [0,2,0,0,0,0|2,0,0]=4 5518 B12R1.267 Cc1ccncc1COCCN 34a_100000210304_100000690890 [0,2,0,0,0,0|2,0,0]=4 5519 B12R1.267 Cc1cnccc1COCCN 34a_100000210304_100020672809 [0,2,0,0,0,0|2,0,0]=4 5520 B12R1.267 Cc1ncccc1COCCN 34a_100000210304_100000732876 [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.267 Clc1ccccc1COCCBr 34a_100000211926_100000187162 [0,2,0,0,0,0|2,0,0]=4 5522 B12R1.267 FCCCNc1ccccc1Br 34a_100000210017_100011934791 [0,2,0,0,0,0|2,0,0]=4 5523 B12R1.267 FCCCNc1ccccc1Cl 34a_100000185783_100011934791 [0,2,0,0,0,0|2,0,0]=4 5524 B12R1.267 FCCCNc1ccccc1F 34a_100000210422_100011934791 [0,2,0,0,0,0|2,0,0]=4 5525 B12R1.267 FCCCNc1ccccc1I 34a_100000210053_100011934791 [0,2,0,0,0,0|2,0,0]=4 5526 B12R1.267 FCCCOc1ccccc1Br 34a_100000181306_100011934791 [0,2,0,0,0,0|2,0,0]=4 5527 B12R1.267 FCCCOc1ccccc1Br 7a_100000181306_100011934791 [0,2,0,0,0,0|2,0,0]=4 5528 B12R1.267 FCCCOc1ccccc1Cl 34a_100000210172_100011934791 [0,2,0,0,0,0|2,0,0]=4 5529 B12R1.267 FCCCOc1ccccc1Cl 7a_100000210172_100011934791 [0,2,0,0,0,0|2,0,0]=4 5530 B12R1.267 FCCCOc1ccccc1F 34a_100000210171_100011934791 [0,2,0,0,0,0|2,0,0]=4 5531 B12R1.267 FCCCOc1ccccc1F 7a_100000210171_100011934791 [0,2,0,0,0,0|2,0,0]=4 5532 B12R1.267 FCCCOc1ccccc1I 34a_100000739446_100011934791 [0,2,0,0,0,0|2,0,0]=4 5533 B12R1.267 FCCCOc1ccccc1I 7a_100000739446_100011934791 [0,2,0,0,0,0|2,0,0]=4 5534 B12R1.267 FCCCSc1ccccc1Br 62a_100000695589_100011934791 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.267 FCCCSc1ccccc1Br 62a_100011934791_100000695589 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.267 FCCCSc1ccccc1Cl 62a_100000764095_100011934791 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.267 FCCCSc1ccccc1Cl 62a_100011934791_100000764095 [0,2,0,0,0,0|2,0,0]=4 5538 B12R1.267 FCCCSc1ccccc1F 62a_100011215700_100011934791 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.267 FCCCSc1ccccc1F 62a_100011934791_100011215700 [0,2,0,0,0,0|2,0,0]=4 5540 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,2,0,0,0,0|2,0,0]=4 5542 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,2,0,0,0,0|2,0,0]=4 5543 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,2,0,0,0,0|2,0,0]=4 5544 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,2,0,0,0,0|2,0,0]=4 5545 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,2,0,0,0,0|2,0,0]=4 5546 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,2,0,0,0,0|2,0,0]=4 5547 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,2,0,0,0,0|2,0,0]=4 5548 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,2,0,0,0,0|2,0,0]=4 5549 B12R1.267 FCCOCc1ccccc1Br 34a_100000756307_100011217306 [0,2,0,0,0,0|2,0,0]=4 5550 B12R1.267 FCCOCc1ccccc1Br 7a_100000756307_100011217306 [0,2,0,0,0,0|2,0,0]=4 5551 B12R1.267 FCCOCc1ccccc1Cl 34a_100000210847_100011217306 [0,2,0,0,0,0|2,0,0]=4 5552 B12R1.267 FCCOCc1ccccc1Cl 7a_100000210847_100011217306 [0,2,0,0,0,0|2,0,0]=4 5553 B12R1.267 FCCOCc1ccccc1F 34a_100000211962_100011217306 [0,2,0,0,0,0|2,0,0]=4 5554 B12R1.267 FCCOCc1ccccc1F 7a_100000211962_100011217306 [0,2,0,0,0,0|2,0,0]=4 5555 B12R1.267 FCCOCc1ccccc1I 34a_100000187465_100011217306 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.267 FCCOCc1ccccc1I 7a_100000187465_100011217306 [0,2,0,0,0,0|2,0,0]=4 5557 B12R1.267 FCCSCc1ccccc1Br 62a_100000184730_100011217306 [0,2,0,0,0,0|2,0,0]=4 5558 B12R1.267 FCCSCc1ccccc1Br 62a_100011217306_100000184730 [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.267 FCCSCc1ccccc1Cl 62a_100000187162_100011217306 [0,2,0,0,0,0|2,0,0]=4 5560 B12R1.267 FCCSCc1ccccc1Cl 62a_100011217306_100000187162 [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.267 FCCSCc1ccccc1F 62a_100000211605_100011217306 [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.267 FCCSCc1ccccc1F 62a_100011217306_100000211605 [0,2,0,0,0,0|2,0,0]=4 5563 B12R1.267 FCCSCc1ccccc1I 62a_100011216222_100011217306 [0,2,0,0,0,0|2,0,0]=4 5564 B12R1.267 FCCSCc1ccccc1I 62a_100011217306_100011216222 [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.267 FCNCCc1ccccc1Br 34a_100000747383_100015361967 [0,2,0,0,0,0|1,0,0]=3 5566 B12R1.267 FCNCCc1ccccc1Cl 34a_100011207228_100015361967 [0,2,0,0,0,0|1,0,0]=3 5567 B12R1.267 FCNCCc1ccccc1F 34a_100000185272_100015361967 [0,2,0,0,0,0|1,0,0]=3 5568 B12R1.267 FCOCCc1ccccc1Br 34a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 5569 B12R1.267 FCOCCc1ccccc1Br 7a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.267 FCOCCc1ccccc1Cl 34a_100011215284_100015361967 [0,2,0,0,0,0|2,0,0]=4 5571 B12R1.267 FCOCCc1ccccc1Cl 7a_100011215284_100015361967 [0,2,0,0,0,0|2,0,0]=4 5572 B12R1.267 FCOCCc1ccccc1F 34a_100000753711_100015361967 [0,2,0,0,0,0|2,0,0]=4 5573 B12R1.267 FCOCCc1ccccc1F 7a_100000753711_100015361967 [0,2,0,0,0,0|2,0,0]=4 5574 B12R1.267 FCOCCc1ccccc1I 34a_100010255290_100015361967 [0,2,0,0,0,0|2,0,0]=4 5575 B12R1.267 FCOCCc1ccccc1I 7a_100010255290_100015361967 [0,2,0,0,0,0|2,0,0]=4 5576 B12R1.267 FCSCCc1ccccc1Br 62a_100012161201_100015361967 [0,2,0,0,0,0|2,0,0]=4 5577 B12R1.267 FCSCCc1ccccc1Br 62a_100015361967_100012161201 [0,2,0,0,0,0|2,0,0]=4 5578 B12R1.267 FCSCCc1ccccc1Cl 62a_100011713703_100015361967 [0,2,0,0,0,0|2,0,0]=4 5579 B12R1.267 FCSCCc1ccccc1Cl 62a_100015361967_100011713703 [0,2,0,0,0,0|2,0,0]=4 5580 B12R1.267 FCSCCc1ccccc1F 62a_100011713696_100015361967 [0,2,0,0,0,0|2,0,0]=4 5581 B12R1.267 FCSCCc1ccccc1F 62a_100015361967_100011713696 [0,2,0,0,0,0|2,0,0]=4 5582 B12R1.267 Fc1ccccc1COCCBr 34a_100000211926_100000211605 [0,2,0,0,0,0|2,0,0]=4 5583 B12R1.267 N#CCCOc1ccccc1Br 7a_100000181306_100000184422 [0,2,0,0,0,0|1,0,1]=4 5584 B12R1.267 N#CCCOc1ccccc1Cl 7a_100000210172_100000184422 [0,2,0,0,0,0|1,0,1]=4 5585 B12R1.267 N#CCCOc1ccccc1F 7a_100000210171_100000184422 [0,2,0,0,0,0|1,0,1]=4 5586 B12R1.267 N#CCCOc1ccccc1I 7a_100000739446_100000184422 [0,2,0,0,0,0|1,0,1]=4 5587 B12R1.267 N#CCCOc1ccccc1N 7a_100000185747_100000184422 [0,2,0,0,0,0|1,0,1]=4 5588 B12R1.267 N#CCCSc1ccccc1Br 62a_100000695589_100011215226 [0,2,0,0,0,0|1,0,1]=4 5589 B12R1.267 N#CCCSc1ccccc1Br 62a_100011215226_100000695589 [0,2,0,0,0,0|1,0,1]=4 5590 B12R1.267 N#CCCSc1ccccc1Cl 62a_100000764095_100011215226 [0,2,0,0,0,0|1,0,1]=4 5591 B12R1.267 N#CCCSc1ccccc1Cl 62a_100011215226_100000764095 [0,2,0,0,0,0|1,0,1]=4 5592 B12R1.267 N#CCCSc1ccccc1F 62a_100011215226_100011215700 [0,2,0,0,0,0|1,0,1]=4 5593 B12R1.267 N#CCCSc1ccccc1F 62a_100011215700_100011215226 [0,2,0,0,0,0|1,0,1]=4 5594 B12R1.267 N#CCCSc1ccccc1N 62a_100000210017_100011215226 [0,2,0,0,0,0|1,0,1]=4 5595 B12R1.267 N#CCCSc1ccccc1N 62a_100011215226_100000210017 [0,2,0,0,0,0|1,0,1]=4 5596 B12R1.267 N#CCCSc1ccccc1O 62a_100000739446_100011215226 [0,2,0,0,0,0|1,0,1]=4 5597 B12R1.267 N#CCCSc1ccccc1O 62a_100011215226_100000739446 [0,2,0,0,0,0|1,0,1]=4 5598 B12R1.267 N#CCNCc1ccccc1Br 2230a_100000689332_100011215382 [0,2,0,0,0,0|1,0,1]=4 5599 B12R1.267 N#CCNCc1ccccc1Cl 2230a_100000174879_100011215382 [0,2,0,0,0,0|1,0,1]=4 5600 B12R1.267 N#CCOCc1ccccc1Br 7a_100000756307_100011215382 [0,2,0,0,0,0|1,0,1]=4 5601 B12R1.267 N#CCOCc1ccccc1Cl 7a_100000210847_100011215382 [0,2,0,0,0,0|1,0,1]=4 5602 B12R1.267 N#CCOCc1ccccc1F 7a_100000211962_100011215382 [0,2,0,0,0,0|1,0,1]=4 5603 B12R1.267 N#CCOCc1ccccc1I 7a_100000187465_100011215382 [0,2,0,0,0,0|1,0,1]=4 5604 B12R1.267 N#CCSCc1ccccc1Br 62a_100000184730_100011215382 [0,2,0,0,0,0|1,0,1]=4 5605 B12R1.267 N#CCSCc1ccccc1Br 62a_100011215382_100000184730 [0,2,0,0,0,0|1,0,1]=4 5606 B12R1.267 N#CCSCc1ccccc1Cl 62a_100000187162_100011215382 [0,2,0,0,0,0|1,0,1]=4 5607 B12R1.267 N#CCSCc1ccccc1Cl 62a_100011215382_100000187162 [0,2,0,0,0,0|1,0,1]=4 5608 B12R1.267 N#CCSCc1ccccc1F 62a_100000211605_100011215382 [0,2,0,0,0,0|1,0,1]=4 5609 B12R1.267 N#CCSCc1ccccc1F 62a_100011215382_100000211605 [0,2,0,0,0,0|1,0,1]=4 5610 B12R1.267 N#CCSCc1ccccc1I 62a_100011215382_100011216222 [0,2,0,0,0,0|1,0,1]=4 5611 B12R1.267 N#CCSCc1ccccc1I 62a_100011216222_100011215382 [0,2,0,0,0,0|1,0,1]=4 5612 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,2,0,0,0,0|1,0,0]=3 5613 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,2,0,0,0,0|1,0,0]=3 5614 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,2,0,0,0,0|1,0,0]=3 5615 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,2,0,0,0,0|1,0,0]=3 5616 B12R1.267 NCCOCc1cccnc1Br 34a_100000210304_100010140945 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.267 NCCOCc1cccnc1Cl 34a_100000210304_100000045678 [0,2,0,0,0,0|2,0,0]=4 5618 B12R1.267 NCCOCc1cccnc1F 34a_100000210304_100000099810 [0,2,0,0,0,0|2,0,0]=4 5619 B12R1.267 NCCOCc1ncccc1Br 34a_100000210304_100025702911 [0,2,0,0,0,0|2,0,0]=4 5620 B12R1.267 NCCOCc1ncccc1F 34a_100000210304_100000104219 [0,2,0,0,0,0|2,0,0]=4 5621 B12R1.267 NCCOCc1ncccc1O 34a_100000210304_200020655725 [0,2,0,0,0,0|2,0,0]=4 5622 B12R1.267 Nc1ccccc1CCOCF 34a_100011215289_100015361967 [0,2,0,0,0,0|2,0,0]=4 5623 B12R1.267 Nc1ccccc1COCC=O 34a_100000212039_200009817547 [0,2,0,0,0,0|2,0,0]=4 5624 B12R1.267 Nc1ccccc1COCCF 34a_100000212039_100011217306 [0,2,0,0,0,0|2,0,0]=4 5625 B12R1.267 Nc1ccccc1COCCO 34a_100000212039_100000211926 [0,2,0,0,0,0|2,0,0]=4 5626 B12R1.267 Nc1ccccc1OCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|2,0,0]=4 5627 B12R1.267 Nc1ccccc1OCCCF 7a_100000185747_100011934791 [0,2,0,0,0,0|2,0,0]=4 5628 B12R1.267 Nc1ccccc1OCCCO 34a_100000185747_100000230001 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.267 Nc1ccccc1OCCCO 7a_100000185747_100011215043 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.267 Nc1ccccc1SCCCF 62a_100000210017_100011934791 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.267 Nc1ccccc1SCCCF 62a_100011934791_100000210017 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.267 Nc1ccccc1SCCCO 62a_100000210017_100011215043 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.267 Nc1ccccc1SCCCO 62a_100011215043_100000210017 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.267 O=CCNCc1ccccc1Br 2230a_100000689332_200015260668 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.267 O=CCNCc1ccccc1Br 34a_100000689332_200009817547 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.267 O=CCNCc1ccccc1Cl 2230a_100000174879_200015260668 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.267 O=CCNCc1ccccc1Cl 34a_100000174879_200009817547 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.267 O=CCNCc1ccccc1F 34a_100000174869_200009817547 [0,2,0,0,0,0|2,0,0]=4 5639 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [0,2,0,0,0,0|2,0,0]=4 5640 B12R1.267 O=CCOCc1ccccc1Br 34a_100000756307_200009817547 [0,2,0,0,0,0|2,0,0]=4 5641 B12R1.267 O=CCOCc1ccccc1Br 7a_100000756307_200015260668 [0,2,0,0,0,0|2,0,0]=4 5642 B12R1.267 O=CCOCc1ccccc1Cl 34a_100000210847_200009817547 [0,2,0,0,0,0|2,0,0]=4 5643 B12R1.267 O=CCOCc1ccccc1Cl 7a_100000210847_200015260668 [0,2,0,0,0,0|2,0,0]=4 5644 B12R1.267 O=CCOCc1ccccc1F 34a_100000211962_200009817547 [0,2,0,0,0,0|2,0,0]=4 5645 B12R1.267 O=CCOCc1ccccc1F 7a_100000211962_200015260668 [0,2,0,0,0,0|2,0,0]=4 5646 B12R1.267 O=CCOCc1ccccc1I 34a_100000187465_200009817547 [0,2,0,0,0,0|2,0,0]=4 5647 B12R1.267 O=CCOCc1ccccc1I 7a_100000187465_200015260668 [0,2,0,0,0,0|2,0,0]=4 5648 B12R1.267 O=CCSCc1ccccc1Br 62a_100000184730_200015260668 [0,2,0,0,0,0|2,0,0]=4 5649 B12R1.267 O=CCSCc1ccccc1Br 62a_200015260668_100000184730 [0,2,0,0,0,0|2,0,0]=4 5650 B12R1.267 O=CCSCc1ccccc1Cl 62a_100000187162_200015260668 [0,2,0,0,0,0|2,0,0]=4 5651 B12R1.267 O=CCSCc1ccccc1Cl 62a_200015260668_100000187162 [0,2,0,0,0,0|2,0,0]=4 5652 B12R1.267 O=CCSCc1ccccc1F 62a_100000211605_200015260668 [0,2,0,0,0,0|2,0,0]=4 5653 B12R1.267 O=CCSCc1ccccc1F 62a_200015260668_100000211605 [0,2,0,0,0,0|2,0,0]=4 5654 B12R1.267 O=CCSCc1ccccc1I 62a_100011216222_200015260668 [0,2,0,0,0,0|2,0,0]=4 5655 B12R1.267 O=CCSCc1ccccc1I 62a_200015260668_100011216222 [0,2,0,0,0,0|2,0,0]=4 5656 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,2,0,0,0,0|2,0,0]=4 5657 B12R1.267 OCCCNc1ccccc1Br 34a_100000210017_100000230001 [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.267 OCCCNc1ccccc1Cl 34a_100000185783_100000230001 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.267 OCCCNc1ccccc1F 34a_100000210422_100000230001 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.267 OCCCNc1ccccc1I 34a_100000210053_100000230001 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.267 OCCCNc1ccccc1O 34a_100000185747_100000230001 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.267 OCCCOc1ccccc1Br 34a_100000181306_100000230001 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.267 OCCCOc1ccccc1Br 7a_100000181306_100011215043 [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.267 OCCCOc1ccccc1Cl 34a_100000210172_100000230001 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.267 OCCCOc1ccccc1Cl 7a_100000210172_100011215043 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.267 OCCCOc1ccccc1F 34a_100000210171_100000230001 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.267 OCCCOc1ccccc1F 7a_100000210171_100011215043 [0,2,0,0,0,0|2,0,0]=4 5668 B12R1.267 OCCCOc1ccccc1I 34a_100000739446_100000230001 [0,2,0,0,0,0|2,0,0]=4 5669 B12R1.267 OCCCOc1ccccc1I 7a_100000739446_100011215043 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.267 OCCCSc1ccccc1Br 62a_100000695589_100011215043 [0,2,0,0,0,0|2,0,0]=4 5671 B12R1.267 OCCCSc1ccccc1Br 62a_100011215043_100000695589 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.267 OCCCSc1ccccc1Cl 62a_100000764095_100011215043 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.267 OCCCSc1ccccc1Cl 62a_100011215043_100000764095 [0,2,0,0,0,0|2,0,0]=4 5674 B12R1.267 OCCCSc1ccccc1F 62a_100011215043_100011215700 [0,2,0,0,0,0|2,0,0]=4 5675 B12R1.267 OCCCSc1ccccc1F 62a_100011215700_100011215043 [0,2,0,0,0,0|2,0,0]=4 5676 B12R1.267 OCCCSc1ccccc1O 62a_100000739446_100011215043 [0,2,0,0,0,0|2,0,0]=4 5677 B12R1.267 OCCCSc1ccccc1O 62a_100011215043_100000739446 [0,2,0,0,0,0|2,0,0]=4 5678 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,2,0,0,0,0|2,0,0]=4 5679 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,2,0,0,0,0|2,0,0]=4 5680 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,2,0,0,0,0|2,0,0]=4 5681 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,2,0,0,0,0|2,0,0]=4 5683 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,2,0,0,0,0|2,0,0]=4 5684 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.267 OCCOCc1ccccc1Br 34a_100000756307_100000211926 [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.267 OCCOCc1ccccc1Br 7a_100000756307_100000211926 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.267 OCCOCc1ccccc1Cl 34a_100000210847_100000211926 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.267 OCCOCc1ccccc1Cl 7a_100000210847_100000211926 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.267 OCCOCc1ccccc1F 34a_100000211962_100000211926 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.267 OCCOCc1ccccc1F 7a_100000211962_100000211926 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.267 OCCOCc1ccccc1I 34a_100000187465_100000211926 [0,2,0,0,0,0|2,0,0]=4 5708 B12R1.267 OCCOCc1ccccc1I 7a_100000187465_100000211926 [0,2,0,0,0,0|2,0,0]=4 5709 B12R1.267 OCCSCc1ccccc1Br 62a_100000184730_100000211926 [0,2,0,0,0,0|2,0,0]=4 5710 B12R1.267 OCCSCc1ccccc1Br 62a_100000211926_100000184730 [0,2,0,0,0,0|2,0,0]=4 5711 B12R1.267 OCCSCc1ccccc1Cl 62a_100000187162_100000211926 [0,2,0,0,0,0|2,0,0]=4 5712 B12R1.267 OCCSCc1ccccc1Cl 62a_100000211926_100000187162 [0,2,0,0,0,0|2,0,0]=4 5713 B12R1.267 OCCSCc1ccccc1F 62a_100000211605_100000211926 [0,2,0,0,0,0|2,0,0]=4 5714 B12R1.267 OCCSCc1ccccc1F 62a_100000211926_100000211605 [0,2,0,0,0,0|2,0,0]=4 5715 B12R1.267 OCCSCc1ccccc1I 62a_100000211926_100011216222 [0,2,0,0,0,0|2,0,0]=4 5716 B12R1.267 OCCSCc1ccccc1I 62a_100011216222_100000211926 [0,2,0,0,0,0|2,0,0]=4 5717 B12R1.267 Oc1ccccc1CCNCF 34a_100011207237_100015361967 [0,2,0,0,0,0|1,0,0]=3 5718 B12R1.267 Oc1ccccc1CCSCF 62a_100000722297_100015361967 [0,2,0,0,0,0|2,0,0]=4 5719 B12R1.267 Oc1ccccc1CCSCF 62a_100015361967_100000722297 [0,2,0,0,0,0|2,0,0]=4 5720 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|2,0,0]=4 5721 B12R1.267 Oc1ccccc1NCCCF 34a_100000185747_100011934791 [0,2,0,0,0,0|2,0,0]=4 5722 B12R1.267 Oc1ccccc1SCCCF 62a_100000739446_100011934791 [0,2,0,0,0,0|2,0,0]=4 5723 B12R1.267 Oc1ccccc1SCCCF 62a_100011934791_100000739446 [0,2,0,0,0,0|2,0,0]=4 5724 B12R1.267 [13CH3]NCCCc1ccccc1F 2230a_100000724733_200025704644 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.267 [13CH3]NCCCc1ccccc1F 34a_100000724733_200025704644 [0,2,0,0,0,0|1,0,0]=3 5726 B12R1.267 [13CH3]NCCOc1ccccc1Br 2230a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 5727 B12R1.267 [13CH3]NCCOc1ccccc1Br 34a_100000744007_200025704644 [0,2,0,0,0,0|1,0,0]=3 5728 B12R1.267 [13CH3]NCCOc1ccccc1Cl 2230a_100000174932_200025704644 [0,2,0,0,0,0|1,0,0]=3 5729 B12R1.267 [13CH3]NCCOc1ccccc1Cl 34a_100000174932_200025704644 [0,2,0,0,0,0|1,0,0]=3 5730 B12R1.267 [13CH3]NCCOc1ccccc1F 2230a_100000683764_200025704644 [0,2,0,0,0,0|1,0,0]=3 5731 B12R1.267 [13CH3]NCCOc1ccccc1F 34a_100000683764_200025704644 [0,2,0,0,0,0|1,0,0]=3 5732 B12R1.267 [13CH3]OCCCc1ccccc1Br 34a_100000699526_200025704644 [0,2,0,0,0,0|2,0,0]=4 5733 B12R1.267 [13CH3]OCCCc1ccccc1Br 7a_100000699526_200025704644 [0,2,0,0,0,0|2,0,0]=4 5734 B12R1.267 [13CH3]OCCCc1ccccc1Cl 34a_100011709251_200025704644 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.267 [13CH3]OCCCc1ccccc1Cl 7a_100011709251_200025704644 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.267 [13CH3]OCCCc1ccccc1F 34a_100011709249_200025704644 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.267 [13CH3]OCCCc1ccccc1F 7a_100011709249_200025704644 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.267 [13CH3]OCCNc1ccccc1N 34a_100000683943_200025704644 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.267 [13CH3]OCCOc1ccccc1Br 34a_100000230753_200025704644 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.267 [13CH3]OCCOc1ccccc1Br 7a_100000230753_200025704644 [0,2,0,0,0,0|2,0,0]=4 5741 B12R1.267 [13CH3]OCCOc1ccccc1Cl 34a_200000230518_200025704644 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.267 [13CH3]OCCOc1ccccc1Cl 7a_200000230518_200025704644 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.267 [13CH3]OCCOc1ccccc1F 34a_100000756447_200025704644 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.267 [13CH3]OCCOc1ccccc1F 7a_100000756447_200025704644 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.267 [13CH3]OCCOc1ccccc1N 34a_100132302172_200025704644 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.267 [13CH3]OCCSc1ccccc1Br 34a_200000230852_200025704644 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.267 [13CH3]OCCSc1ccccc1Br 7a_200000230852_200025704644 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.267 [13CH3]OCCSc1ccccc1Cl 34a_200000230572_200025704644 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.267 [13CH3]OCCSc1ccccc1Cl 7a_200000230572_200025704644 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.267 [13CH3]OCCSc1ccccc1F 34a_200000230732_200025704644 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.267 [13CH3]OCCSc1ccccc1F 7a_200000230732_200025704644 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200011713681_200025704644 [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.267 [13CH3]SCCCc1ccccc1Br 62a_200025704644_200011713681 [0,2,0,0,0,0|2,0,0]=4 5754 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_100000695877_200025704644 [0,2,0,0,0,0|2,0,0]=4 5755 B12R1.267 [13CH3]SCCOc1ccccc1Br 62a_200025704644_100000695877 [0,2,0,0,0,0|2,0,0]=4 5756 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_100000183290_200025704644 [0,2,0,0,0,0|2,0,0]=4 5757 B12R1.267 [13CH3]SCCOc1ccccc1F 62a_200025704644_100000183290 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,2,0,0,0,0|1,0,1]=4 5759 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,2,0,0,0,0|1,0,1]=4 5760 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,2,0,0,0,0|1,0,1]=4 5761 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,2,0,0,0,0|1,0,1]=4 5762 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 5763 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 5764 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,2,0,0,0,0|1,0,1]=4 5765 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,2,0,0,0,0|1,0,1]=4 5766 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 5767 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 5768 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,2,0,0,0,0|1,0,1]=4 5769 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,2,0,0,0,0|1,0,1]=4 5770 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 5771 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 5772 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,2,0,0,0,0|1,0,1]=4 5773 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,2,0,0,0,0|1,0,1]=4 5774 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 5775 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 5776 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,2,0,0,0,0|1,0,1]=4 5777 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,2,0,0,0,0|1,0,1]=4 5778 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,2,0,0,0,0|1,0,1]=4 5779 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,2,0,0,0,0|1,0,1]=4 5780 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,2,0,0,0,0|1,0,0]=3 5781 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,2,0,0,0,0|1,0,0]=3 5782 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,2,0,0,0,0|1,0,0]=3 5783 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,2,0,0,0,0|1,0,0]=3 5784 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,2,0,0,0,0|2,0,0]=4 5785 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,2,0,0,0,0|0,0,1]=3 5786 B12R1.374 CCCCc1cc(ccc1Br)Br 271570a_100020621405_100011483371 [0,2,0,0,0,0|2,0,0]=4 5787 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,2,0,0,0,0|2,0,0]=4 5788 B12R1.374 CCCCc1cc(ccc1Br)Cl 271570a_100020621405_100012339723 [0,2,0,0,0,0|2,0,0]=4 5789 B12R1.374 CCCCc1cc(ccc1Br)F 271570a_100020621405_100011217576 [0,2,0,0,0,0|2,0,0]=4 5790 B12R1.374 CCCCc1cc(ccc1Br)N 271570a_100020621405_100000750459 [0,2,0,0,0,0|2,0,0]=4 5791 B12R1.374 CCCCc1cc(ccc1Br)O 271570a_100020621405_100012339312 [0,2,0,0,0,0|2,0,0]=4 5792 B12R1.374 CCCCc1cc(ccc1C)Br 271570a_100020621405_100011344865 [0,2,0,0,0,0|2,0,0]=4 5793 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,2,0,0,0,0|2,0,0]=4 5794 B12R1.374 CCCCc1cc(ccc1C)Cl 271570a_100020621405_100011263213 [0,2,0,0,0,0|2,0,0]=4 5795 B12R1.374 CCCCc1cc(ccc1C)F 271570a_100020621405_100011218078 [0,2,0,0,0,0|2,0,0]=4 5796 B12R1.374 CCCCc1cc(ccc1C)N 271570a_100020621405_100000736455 [0,2,0,0,0,0|2,0,0]=4 5797 B12R1.374 CCCCc1cc(ccc1C)O 271570a_100020621405_100011380479 [0,2,0,0,0,0|2,0,0]=4 5798 B12R1.374 CCCCc1cc(ccc1Cl)Br 271570a_100020621405_100011772130 [0,2,0,0,0,0|2,0,0]=4 5799 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,2,0,0,0,0|2,0,0]=4 5800 B12R1.374 CCCCc1cc(ccc1Cl)Cl 271570a_100020621405_100000707729 [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.374 CCCCc1cc(ccc1Cl)F 271570a_100020621405_100011217299 [0,2,0,0,0,0|2,0,0]=4 5802 B12R1.374 CCCCc1cc(ccc1Cl)N 271570a_100020621405_100012360549 [0,2,0,0,0,0|2,0,0]=4 5803 B12R1.374 CCCCc1cc(ccc1Cl)O 271570a_100020621405_100000049588 [0,2,0,0,0,0|2,0,0]=4 5804 B12R1.374 CCCCc1cc(ccc1F)Br 271570a_100020621405_100011217312 [0,2,0,0,0,0|2,0,0]=4 5805 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,2,0,0,0,0|2,0,0]=4 5806 B12R1.374 CCCCc1cc(ccc1F)Cl 271570a_100020621405_100011218116 [0,2,0,0,0,0|2,0,0]=4 5807 B12R1.374 CCCCc1cc(ccc1F)F 271570a_100020621405_100000750033 [0,2,0,0,0,0|2,0,0]=4 5808 B12R1.374 CCCCc1cc(ccc1F)N 271570a_100020621405_100000760356 [0,2,0,0,0,0|2,0,0]=4 5809 B12R1.374 CCCCc1cc(ccc1F)O 271570a_100020621405_100000693481 [0,2,0,0,0,0|2,0,0]=4 5810 B12R1.374 CCCCc1cc(ccc1N)Br 271570a_100020621405_100000187925 [0,2,0,0,0,0|2,0,0]=4 5811 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,2,0,0,0,0|2,0,0]=4 5812 B12R1.374 CCCCc1cc(ccc1N)Cl 271570a_100020621405_100000761889 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.374 CCCCc1cc(ccc1N)F 271570a_100020621405_100000760547 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.374 CCCCc1cc(ccc1N)N 271570a_100020621405_100011534242 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.374 CCCCc1cc(ccc1N)O 271570a_100020621405_100012001276 [0,2,0,0,0,0|2,0,0]=4 5816 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [0,2,0,0,0,0|2,0,0]=4 5817 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [0,2,0,0,0,0|2,0,0]=4 5819 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [0,2,0,0,0,0|2,0,0]=4 5820 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [0,2,0,0,0,0|2,0,0]=4 5822 B12R1.374 CNCCc1cc(ccc1C)C 2230a_200011485678_200000210301 [0,2,0,0,0,0|1,0,0]=3 5823 B12R1.374 CNCCc1cc(ccc1C)C 34a_200011485678_200000210301 [0,2,0,0,0,0|1,0,0]=3 5824 B12R1.374 CNCCc1cc(ccc1Cl)Cl 2230a_100000705354_200000210301 [0,2,0,0,0,0|1,0,0]=3 5825 B12R1.374 CNCCc1cc(ccc1Cl)Cl 34a_100000705354_200000210301 [0,2,0,0,0,0|1,0,0]=3 5826 B12R1.374 CNCCc1cc(ccc1F)Cl 2230a_200011997525_200000210301 [0,2,0,0,0,0|1,0,0]=3 5827 B12R1.374 CNCCc1cc(ccc1F)Cl 34a_200011997525_200000210301 [0,2,0,0,0,0|1,0,0]=3 5828 B12R1.374 CNCCc1cc(ccc1F)F 2230a_106832991635_100011755056 [0,2,0,0,0,0|1,0,0]=3 5829 B12R1.374 CNCCc1cc(ccc1F)F 34a_100102657272_100011755056 [0,2,0,0,0,0|1,0,0]=3 5830 B12R1.374 CNCCc1cc(ccc1F)F 7a_106832991635_100011755056 [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.374 COCCc1cc(ccc1Br)Cl 34a_100012426913_200000210301 [0,2,0,0,0,0|2,0,0]=4 5832 B12R1.374 COCCc1cc(ccc1Br)Cl 7a_100012426913_200000210301 [0,2,0,0,0,0|2,0,0]=4 5833 B12R1.374 COCCc1cc(ccc1C)C 34a_100011694955_200000210301 [0,2,0,0,0,0|2,0,0]=4 5834 B12R1.374 COCCc1cc(ccc1C)C 7a_100011694955_200000210301 [0,2,0,0,0,0|2,0,0]=4 5835 B12R1.374 COCCc1cc(ccc1Cl)Cl 34a_100011754359_200000210301 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.374 COCCc1cc(ccc1Cl)Cl 7a_100011754359_200000210301 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.374 COCCc1cc(ccc1F)F 34a_100011755048_200000210301 [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.374 COCCc1cc(ccc1F)F 34a_100138415774_100011755056 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.374 COCCc1cc(ccc1F)F 7a_100011755048_200000210301 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.374 CSCCc1cc(ccc1F)F 62a_100011755056_200000210301 [0,2,0,0,0,0|2,0,0]=4 5841 B12R1.374 CSCCc1cc(ccc1F)F 62a_200000210301_100011755056 [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 2230a_200011485678_200025704644 [0,2,0,0,0,0|1,0,0]=3 5843 B12R1.374 Cc1ccc(c(c1)CCN[13CH3])C 34a_200011485678_200025704644 [0,2,0,0,0,0|1,0,0]=3 5844 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 34a_100011694955_200025704644 [0,2,0,0,0,0|2,0,0]=4 5845 B12R1.374 Cc1ccc(c(c1)CCO[13CH3])C 7a_100011694955_200025704644 [0,2,0,0,0,0|2,0,0]=4 5846 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 2230a_100000705354_200025704644 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.374 [13CH3]NCCc1cc(ccc1Cl)Cl 34a_100000705354_200025704644 [0,2,0,0,0,0|1,0,0]=3 5848 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 2230a_200011997525_200025704644 [0,2,0,0,0,0|1,0,0]=3 5849 B12R1.374 [13CH3]NCCc1cc(ccc1F)Cl 34a_200011997525_200025704644 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 34a_100012426913_200025704644 [0,2,0,0,0,0|2,0,0]=4 5851 B12R1.374 [13CH3]OCCc1cc(ccc1Br)Cl 7a_100012426913_200025704644 [0,2,0,0,0,0|2,0,0]=4 5852 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 34a_100011754359_200025704644 [0,2,0,0,0,0|2,0,0]=4 5853 B12R1.374 [13CH3]OCCc1cc(ccc1Cl)Cl 7a_100011754359_200025704644 [0,2,0,0,0,0|2,0,0]=4 5854 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 34a_100011755048_200025704644 [0,2,0,0,0,0|2,0,0]=4 5855 B12R1.374 [13CH3]OCCc1cc(ccc1F)F 7a_100011755048_200025704644 [0,2,0,0,0,0|2,0,0]=4 5856 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_100011755056_200025704644 [0,2,0,0,0,0|2,0,0]=4 5857 B12R1.374 [13CH3]SCCc1cc(ccc1F)F 62a_200025704644_100011755056 [0,2,0,0,0,0|2,0,0]=4 5858 B12R1.1631 CCCCc1c(cccc1Br)Br 271570a_100020621405_100009994525 [0,2,0,0,0,0|2,0,0]=4 5859 B12R1.1631 CCCCc1c(cccc1Br)Cl 271570a_100020621405_100010214488 [0,2,0,0,0,0|2,0,0]=4 5860 B12R1.1631 CCCCc1c(cccc1Br)F 271570a_100020621405_100011219512 [0,2,0,0,0,0|2,0,0]=4 5861 B12R1.1631 CCCCc1c(cccc1Br)N 271570a_100020621405_100020590159 [0,2,0,0,0,0|2,0,0]=4 5862 B12R1.1631 CCCCc1c(cccc1Br)O 271570a_100020621405_100010187912 [0,2,0,0,0,0|2,0,0]=4 5863 B12R1.1631 CCCCc1c(cccc1C)C 271570a_100020621405_100000033847 [0,2,0,0,0,0|2,0,0]=4 5864 B12R1.1631 CCCCc1c(cccc1Cl)C 271570a_100020621405_100000043165 [0,2,0,0,0,0|2,0,0]=4 5865 B12R1.1631 CCCCc1c(cccc1Cl)Cl 271570a_100020621405_100000034237 [0,2,0,0,0,0|2,0,0]=4 5866 B12R1.1631 CCCCc1c(cccc1Cl)F 271570a_100020621405_100000050007 [0,2,0,0,0,0|2,0,0]=4 5867 B12R1.1631 CCCCc1c(cccc1Cl)N 271570a_100020621405_100000049713 [0,2,0,0,0,0|2,0,0]=4 5868 B12R1.1631 CCCCc1c(cccc1Cl)O 271570a_100020621405_100000050174 [0,2,0,0,0,0|2,0,0]=4 5869 B12R1.1631 CCCCc1c(cccc1F)C 271570a_100020621405_100012349962 [0,2,0,0,0,0|2,0,0]=4 5870 B12R1.1631 CCCCc1c(cccc1F)F 271570a_100020621405_100000693133 [0,2,0,0,0,0|2,0,0]=4 5871 B12R1.1631 CCCCc1c(cccc1F)N 271570a_100020621405_100011934729 [0,2,0,0,0,0|2,0,0]=4 5872 B12R1.1631 CCCCc1c(cccc1F)O 271570a_100020621405_100009820682 [0,2,0,0,0,0|2,0,0]=4 5873 B12R1.1631 CCCCc1c(cccc1N)C 271570a_100020621405_100000684715 [0,2,0,0,0,0|2,0,0]=4 5874 B12R1.1631 CCCCc1c(cccc1O)C 271570a_100020621405_100000686692 [0,2,0,0,0,0|2,0,0]=4 5875 B12R1.1631 CCCCc1c(cccc1O)N 271570a_100020621405_100012183704 [0,2,0,0,0,0|2,0,0]=4 5876 B12R1.1631 CCCCc1c(cccc1O)O 271570a_100020621405_100010205330 [0,2,0,0,0,0|2,0,0]=4 5877 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_100032004868_200000210301 [0,2,0,0,0,0|1,0,0]=3 5878 B12R1.1631 CNCCc1c(cccc1Cl)Cl 2230a_106832991635_100012161200 [0,2,0,0,0,0|1,0,0]=3 5879 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100032004868_200000210301 [0,2,0,0,0,0|1,0,0]=3 5880 B12R1.1631 CNCCc1c(cccc1Cl)Cl 34a_100102657272_100012161200 [0,2,0,0,0,0|1,0,0]=3 5881 B12R1.1631 CNCCc1c(cccc1Cl)Cl 7a_106832991635_100012161200 [0,2,0,0,0,0|1,0,0]=3 5882 B12R1.1631 CNCCc1c(cccc1Cl)F 2230a_100000688150_200000210301 [0,2,0,0,0,0|1,0,0]=3 5883 B12R1.1631 CNCCc1c(cccc1Cl)F 34a_100000688150_200000210301 [0,2,0,0,0,0|1,0,0]=3 5884 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100011934077_200000210301 [0,2,0,0,0,0|2,0,0]=4 5885 B12R1.1631 COCCc1c(cccc1Cl)Cl 34a_100138415774_100012161200 [0,2,0,0,0,0|2,0,0]=4 5886 B12R1.1631 COCCc1c(cccc1Cl)Cl 7a_100011934077_200000210301 [0,2,0,0,0,0|2,0,0]=4 5887 B12R1.1631 COCCc1c(cccc1Cl)F 34a_100011273940_200000210301 [0,2,0,0,0,0|2,0,0]=4 5888 B12R1.1631 COCCc1c(cccc1Cl)F 7a_100011273940_200000210301 [0,2,0,0,0,0|2,0,0]=4 5889 B12R1.1631 COCCc1c(cccc1F)F 34a_100011975733_200000210301 [0,2,0,0,0,0|2,0,0]=4 5890 B12R1.1631 COCCc1c(cccc1F)F 7a_100011975733_200000210301 [0,2,0,0,0,0|2,0,0]=4 5891 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_100012161200_200000210301 [0,2,0,0,0,0|2,0,0]=4 5892 B12R1.1631 CSCCc1c(cccc1Cl)Cl 62a_200000210301_100012161200 [0,2,0,0,0,0|2,0,0]=4 5893 B12R1.1631 OCCCc1c(cccc1F)O 271570a_203496583355_100021413403 [0,2,0,0,0,0|2,0,0]=4 5894 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 2230a_100032004868_200025704644 [0,2,0,0,0,0|1,0,0]=3 5895 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)Cl 34a_100032004868_200025704644 [0,2,0,0,0,0|1,0,0]=3 5896 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 2230a_100000688150_200025704644 [0,2,0,0,0,0|1,0,0]=3 5897 B12R1.1631 [13CH3]NCCc1c(cccc1Cl)F 34a_100000688150_200025704644 [0,2,0,0,0,0|1,0,0]=3 5898 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 34a_100011934077_200025704644 [0,2,0,0,0,0|2,0,0]=4 5899 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)Cl 7a_100011934077_200025704644 [0,2,0,0,0,0|2,0,0]=4 5900 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 34a_100011273940_200025704644 [0,2,0,0,0,0|2,0,0]=4 5901 B12R1.1631 [13CH3]OCCc1c(cccc1Cl)F 7a_100011273940_200025704644 [0,2,0,0,0,0|2,0,0]=4 5902 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 34a_100011975733_200025704644 [0,2,0,0,0,0|2,0,0]=4 5903 B12R1.1631 [13CH3]OCCc1c(cccc1F)F 7a_100011975733_200025704644 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_100012161200_200025704644 [0,2,0,0,0,0|2,0,0]=4 5905 B12R1.1631 [13CH3]SCCc1c(cccc1Cl)Cl 62a_200025704644_100012161200 [0,2,0,0,0,0|2,0,0]=4 5906 B12R1.28 BrCCOCc1cccc(c1)Br 34a_100000211926_100000698116 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.28 BrCCOCc1cccc(c1)I 34a_100000211926_100011218688 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.28 C#CCCNc1cccc(c1)Br 34a_100000210019_100000688953 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.28 C#CCCNc1cccc(c1)C 2230a_100000188690_100000688953 [0,2,0,0,0,0|2,0,0]=4 5910 B12R1.28 C#CCCNc1cccc(c1)C 34a_100000188690_100000688953 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.28 C#CCCNc1cccc(c1)Cl 34a_100000185859_100000688953 [0,2,0,0,0,0|2,0,0]=4 5912 B12R1.28 C#CCCNc1cccc(c1)F 34a_100000210047_100000688953 [0,2,0,0,0,0|2,0,0]=4 5913 B12R1.28 C#CCCNc1cccc(c1)I 34a_100000211102_100000688953 [0,2,0,0,0,0|2,0,0]=4 5914 B12R1.28 C#CCCNc1cccc(c1)O 34a_100000210217_100000688953 [0,2,0,0,0,0|2,0,0]=4 5915 B12R1.28 C#CCCOc1cccc(c1)Br 34a_100000210342_100000688953 [0,2,0,0,0,0|2,0,0]=4 5916 B12R1.28 C#CCCOc1cccc(c1)Br 7a_100000210342_100000688953 [0,2,0,0,0,0|2,0,0]=4 5917 B12R1.28 C#CCCOc1cccc(c1)C 34a_100000210337_100000688953 [0,2,0,0,0,0|2,0,0]=4 5918 B12R1.28 C#CCCOc1cccc(c1)C 7a_100000210337_100000688953 [0,2,0,0,0,0|2,0,0]=4 5919 B12R1.28 C#CCCOc1cccc(c1)Cl 34a_100000210295_100000688953 [0,2,0,0,0,0|2,0,0]=4 5920 B12R1.28 C#CCCOc1cccc(c1)Cl 7a_100000210295_100000688953 [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.28 C#CCCOc1cccc(c1)F 34a_100000210426_100000688953 [0,2,0,0,0,0|2,0,0]=4 5922 B12R1.28 C#CCCOc1cccc(c1)F 7a_100000210426_100000688953 [0,2,0,0,0,0|2,0,0]=4 5923 B12R1.28 C#CCCOc1cccc(c1)I 34a_100000211634_100000688953 [0,2,0,0,0,0|2,0,0]=4 5924 B12R1.28 C#CCCOc1cccc(c1)I 7a_100000211634_100000688953 [0,2,0,0,0,0|2,0,0]=4 5925 B12R1.28 C#CCCOc1cccc(c1)N 34a_100000210217_100000688953 [0,2,0,0,0,0|2,0,0]=4 5926 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000688953_100000691529 [0,2,0,0,0,0|2,0,0]=4 5927 B12R1.28 C#CCCSc1cccc(c1)Br 62a_100000691529_100000688953 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.28 C#CCCSc1cccc(c1)C 62a_100000688953_100011215228 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.28 C#CCCSc1cccc(c1)C 62a_100011215228_100000688953 [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000688953_100000699651 [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.28 C#CCCSc1cccc(c1)Cl 62a_100000699651_100000688953 [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000685547_100000688953 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.28 C#CCCSc1cccc(c1)F 62a_100000688953_100000685547 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000210019_100000688953 [0,2,0,0,0,0|2,0,0]=4 5935 B12R1.28 C#CCCSc1cccc(c1)N 62a_100000688953_100000210019 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.28 C#CCCSc1cccc(c1)O 62a_100000688953_100000211634 [0,2,0,0,0,0|2,0,0]=4 5937 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_100000688953_114929384022 [0,2,0,0,0,0|2,0,0]=4 5938 B12R1.28 C#CCCSc1cccc(c1)[S] 62a_114929384022_100000688953 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.28 C#CCNCc1cccc(c1)Br 2230a_100000174977_100000038162 [0,2,0,0,0,0|2,0,0]=4 5940 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000174977_100000184674 [0,2,0,0,0,0|2,0,0]=4 5941 B12R1.28 C#CCNCc1cccc(c1)Br 34a_100000212058_100000698116 [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.28 C#CCNCc1cccc(c1)C 2230a_100000185548_100000038162 [0,2,0,0,0,0|2,0,0]=4 5943 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000185548_100000184674 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.28 C#CCNCc1cccc(c1)C 34a_100000212058_100000211840 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.28 C#CCNCc1cccc(c1)Cl 2230a_100000174878_100000038162 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000174878_100000184674 [0,2,0,0,0,0|2,0,0]=4 5947 B12R1.28 C#CCNCc1cccc(c1)Cl 34a_100000212058_100000187163 [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.28 C#CCNCc1cccc(c1)F 2230a_100000174948_100000038162 [0,2,0,0,0,0|2,0,0]=4 5949 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000174948_100000184674 [0,2,0,0,0,0|2,0,0]=4 5950 B12R1.28 C#CCNCc1cccc(c1)F 34a_100000212058_100000187166 [0,2,0,0,0,0|2,0,0]=4 5951 B12R1.28 C#CCNCc1cccc(c1)I 2230a_100000106179_100000038162 [0,2,0,0,0,0|2,0,0]=4 5952 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000106179_100000184674 [0,2,0,0,0,0|2,0,0]=4 5953 B12R1.28 C#CCNCc1cccc(c1)I 34a_100000212058_100011218688 [0,2,0,0,0,0|2,0,0]=4 5954 B12R1.28 C#CCNCc1cccc(c1)O 2230a_100000743036_100000038162 [0,2,0,0,0,0|2,0,0]=4 5955 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000212058_100011660834 [0,2,0,0,0,0|2,0,0]=4 5956 B12R1.28 C#CCNCc1cccc(c1)O 34a_100000743036_100000184674 [0,2,0,0,0,0|2,0,0]=4 5957 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000210247_100000698116 [0,2,0,0,0,0|2,0,0]=4 5958 B12R1.28 C#CCOCc1cccc(c1)Br 34a_100000687537_100000184674 [0,2,0,0,0,0|2,0,0]=4 5959 B12R1.28 C#CCOCc1cccc(c1)Br 7a_100000687537_100000038162 [0,2,0,0,0,0|2,0,0]=4 5960 B12R1.28 C#CCOCc1cccc(c1)C 34a_100000210247_100000211840 [0,2,0,0,0,0|2,0,0]=4 5961 B12R1.28 C#CCOCc1cccc(c1)C 34a_100011217746_100000184674 [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.28 C#CCOCc1cccc(c1)C 7a_100011217746_100000038162 [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000210247_100000187163 [0,2,0,0,0,0|2,0,0]=4 5964 B12R1.28 C#CCOCc1cccc(c1)Cl 34a_100000241301_100000184674 [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.28 C#CCOCc1cccc(c1)Cl 7a_100000241301_100000038162 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210247_100000187166 [0,2,0,0,0,0|2,0,0]=4 5967 B12R1.28 C#CCOCc1cccc(c1)F 34a_100000210976_100000184674 [0,2,0,0,0,0|2,0,0]=4 5968 B12R1.28 C#CCOCc1cccc(c1)F 7a_100000210976_100000038162 [0,2,0,0,0,0|2,0,0]=4 5969 B12R1.28 C#CCOCc1cccc(c1)I 34a_100000210247_100011218688 [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.28 C#CCOCc1cccc(c1)I 34a_100011215336_100000184674 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.28 C#CCOCc1cccc(c1)I 7a_100011215336_100000038162 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.28 C#CCOCc1cccc(c1)N 34a_100000211919_100000184674 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.28 C#CCOCc1cccc(c1)O 34a_100000210247_100011660834 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.28 C#CCSCc1cccc(c1)Br 62a_100000038162_100000211773 [0,2,0,0,0,0|2,0,0]=4 5975 B12R1.28 C#CCSCc1cccc(c1)C 62a_100000038162_100000211840 [0,2,0,0,0,0|2,0,0]=4 5976 B12R1.28 C#CCSCc1cccc(c1)Cl 62a_100000038162_100000187163 [0,2,0,0,0,0|2,0,0]=4 5977 B12R1.28 C#CCSCc1cccc(c1)F 62a_100000038162_100000230114 [0,2,0,0,0,0|2,0,0]=4 5978 B12R1.28 C#CCSCc1cccc(c1)I 62a_100000038162_100011218688 [0,2,0,0,0,0|2,0,0]=4 5979 B12R1.28 C#CCSCc1cccc(c1)O 62a_100000038162_100011660834 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.28 C=CCCNc1cccc(c1)Br 34a_100000210019_100000754431 [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.28 C=CCCNc1cccc(c1)C 2230a_100000188690_100000754431 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.28 C=CCCNc1cccc(c1)C 34a_100000188690_100000754431 [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.28 C=CCCNc1cccc(c1)Cl 34a_100000185859_100000754431 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.28 C=CCCNc1cccc(c1)F 34a_100000210047_100000754431 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.28 C=CCCNc1cccc(c1)I 34a_100000211102_100000754431 [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.28 C=CCCNc1cccc(c1)O 34a_100000210217_100000754431 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.28 C=CCCOc1cccc(c1)Br 34a_100000210342_100000754431 [0,2,0,0,0,0|2,0,0]=4 5988 B12R1.28 C=CCCOc1cccc(c1)Br 7a_100000210342_100000754431 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.28 C=CCCOc1cccc(c1)C 34a_100000210337_100000754431 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.28 C=CCCOc1cccc(c1)C 7a_100000210337_100000754431 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,2,0,0,0,0|2,0,0]=4 5992 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.28 C=CCCOc1cccc(c1)F 34a_100000210426_100000754431 [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.28 C=CCCOc1cccc(c1)F 7a_100000210426_100000754431 [0,2,0,0,0,0|2,0,0]=4 5995 B12R1.28 C=CCCOc1cccc(c1)I 34a_100000211634_100000754431 [0,2,0,0,0,0|2,0,0]=4 5996 B12R1.28 C=CCCOc1cccc(c1)I 7a_100000211634_100000754431 [0,2,0,0,0,0|2,0,0]=4 5997 B12R1.28 C=CCCOc1cccc(c1)N 34a_100000210217_100000754431 [0,2,0,0,0,0|2,0,0]=4 5998 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000691529_100000754431 [0,2,0,0,0,0|2,0,0]=4 5999 B12R1.28 C=CCCSc1cccc(c1)Br 62a_100000754431_100000691529 [0,2,0,0,0,0|2,0,0]=4 6000 B12R1.28 C=CCCSc1cccc(c1)C 62a_100000754431_100011215228 [0,2,0,0,0,0|2,0,0]=4 6001 B12R1.28 C=CCCSc1cccc(c1)C 62a_100011215228_100000754431 [0,2,0,0,0,0|2,0,0]=4 6002 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000699651_100000754431 [0,2,0,0,0,0|2,0,0]=4 6003 B12R1.28 C=CCCSc1cccc(c1)Cl 62a_100000754431_100000699651 [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000685547_100000754431 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.28 C=CCCSc1cccc(c1)F 62a_100000754431_100000685547 [0,2,0,0,0,0|2,0,0]=4 6006 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000210019_100000754431 [0,2,0,0,0,0|2,0,0]=4 6007 B12R1.28 C=CCCSc1cccc(c1)N 62a_100000754431_100000210019 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.28 C=CCCSc1cccc(c1)O 62a_100000754431_100000211634 [0,2,0,0,0,0|2,0,0]=4 6009 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_100000754431_114929384022 [0,2,0,0,0,0|2,0,0]=4 6010 B12R1.28 C=CCCSc1cccc(c1)[S] 62a_114929384022_100000754431 [0,2,0,0,0,0|2,0,0]=4 6011 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100000174977_100000210623 [0,2,0,0,0,0|2,0,0]=4 6012 B12R1.28 C=CCNCc1cccc(c1)Br 2230a_100020586998_100000698116 [0,2,0,0,0,0|2,0,0]=4 6013 B12R1.28 C=CCNCc1cccc(c1)Br 270004a_100020586998_100000210085 [0,2,0,0,0,0|2,0,0]=4 6014 B12R1.28 C=CCNCc1cccc(c1)Br 34a_100000174977_100015514636 [0,2,0,0,0,0|2,0,0]=4 6015 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100000185548_100000210623 [0,2,0,0,0,0|2,0,0]=4 6016 B12R1.28 C=CCNCc1cccc(c1)C 2230a_100020586998_100000211840 [0,2,0,0,0,0|2,0,0]=4 6017 B12R1.28 C=CCNCc1cccc(c1)C 270004a_100020586998_100000211157 [0,2,0,0,0,0|2,0,0]=4 6018 B12R1.28 C=CCNCc1cccc(c1)C 34a_100000185548_100015514636 [0,2,0,0,0,0|2,0,0]=4 6019 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100000174878_100000210623 [0,2,0,0,0,0|2,0,0]=4 6020 B12R1.28 C=CCNCc1cccc(c1)Cl 2230a_100020586998_100000181238 [0,2,0,0,0,0|2,0,0]=4 6021 B12R1.28 C=CCNCc1cccc(c1)Cl 270004a_100020586998_100000210801 [0,2,0,0,0,0|2,0,0]=4 6022 B12R1.28 C=CCNCc1cccc(c1)Cl 34a_100000174878_100015514636 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100000174948_100000210623 [0,2,0,0,0,0|2,0,0]=4 6024 B12R1.28 C=CCNCc1cccc(c1)F 2230a_100020586998_100000230114 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.28 C=CCNCc1cccc(c1)F 270004a_100020586998_100000210812 [0,2,0,0,0,0|2,0,0]=4 6026 B12R1.28 C=CCNCc1cccc(c1)F 34a_100000174948_100015514636 [0,2,0,0,0,0|2,0,0]=4 6027 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100000106179_100000210623 [0,2,0,0,0,0|2,0,0]=4 6028 B12R1.28 C=CCNCc1cccc(c1)I 2230a_100020586998_100011218688 [0,2,0,0,0,0|2,0,0]=4 6029 B12R1.28 C=CCNCc1cccc(c1)I 270004a_100020586998_100000014684 [0,2,0,0,0,0|2,0,0]=4 6030 B12R1.28 C=CCNCc1cccc(c1)I 34a_100000106179_100015514636 [0,2,0,0,0,0|2,0,0]=4 6031 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100000743036_100000210623 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.28 C=CCNCc1cccc(c1)O 2230a_100020586998_100011660834 [0,2,0,0,0,0|2,0,0]=4 6033 B12R1.28 C=CCNCc1cccc(c1)O 270004a_100020586998_100000188321 [0,2,0,0,0,0|2,0,0]=4 6034 B12R1.28 C=CCNCc1cccc(c1)O 34a_100000743036_100015514636 [0,2,0,0,0,0|2,0,0]=4 6035 B12R1.28 C=CCOCc1cccc(c1)Br 34a_100000687537_100015514636 [0,2,0,0,0,0|2,0,0]=4 6036 B12R1.28 C=CCOCc1cccc(c1)Br 34a_200000210373_100000698116 [0,2,0,0,0,0|2,0,0]=4 6037 B12R1.28 C=CCOCc1cccc(c1)Br 7a_100000687537_100015514636 [0,2,0,0,0,0|2,0,0]=4 6038 B12R1.28 C=CCOCc1cccc(c1)C 34a_100011217746_100015514636 [0,2,0,0,0,0|2,0,0]=4 6039 B12R1.28 C=CCOCc1cccc(c1)C 34a_200000210373_100000211840 [0,2,0,0,0,0|2,0,0]=4 6040 B12R1.28 C=CCOCc1cccc(c1)C 7a_100011217746_100015514636 [0,2,0,0,0,0|2,0,0]=4 6041 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,2,0,0,0,0|2,0,0]=4 6042 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,2,0,0,0,0|2,0,0]=4 6043 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,2,0,0,0,0|2,0,0]=4 6044 B12R1.28 C=CCOCc1cccc(c1)F 34a_100000210976_100015514636 [0,2,0,0,0,0|2,0,0]=4 6045 B12R1.28 C=CCOCc1cccc(c1)F 34a_200000210373_100000187166 [0,2,0,0,0,0|2,0,0]=4 6046 B12R1.28 C=CCOCc1cccc(c1)F 7a_100000210976_100015514636 [0,2,0,0,0,0|2,0,0]=4 6047 B12R1.28 C=CCOCc1cccc(c1)I 34a_100011215336_100015514636 [0,2,0,0,0,0|2,0,0]=4 6048 B12R1.28 C=CCOCc1cccc(c1)I 34a_200000210373_100011218688 [0,2,0,0,0,0|2,0,0]=4 6049 B12R1.28 C=CCOCc1cccc(c1)I 7a_100011215336_100015514636 [0,2,0,0,0,0|2,0,0]=4 6050 B12R1.28 C=CCOCc1cccc(c1)N 34a_100000211919_100015514636 [0,2,0,0,0,0|2,0,0]=4 6051 B12R1.28 C=CCOCc1cccc(c1)O 34a_200000210373_100011660834 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000210623_100000211773 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.28 C=CCSCc1cccc(c1)Br 62a_100000211773_100000210623 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000210623_100000211840 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.28 C=CCSCc1cccc(c1)C 62a_100000211840_100000210623 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000187163_100000210623 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.28 C=CCSCc1cccc(c1)Cl 62a_100000210623_100000187163 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000210623_100000230114 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.28 C=CCSCc1cccc(c1)F 62a_100000230114_100000210623 [0,2,0,0,0,0|2,0,0]=4 6060 B12R1.28 C=CCSCc1cccc(c1)I 62a_100000210623_100011218688 [0,2,0,0,0,0|2,0,0]=4 6061 B12R1.28 C=CCSCc1cccc(c1)I 62a_100011218688_100000210623 [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.28 C=CCSCc1cccc(c1)O 62a_100000210623_100011660834 [0,2,0,0,0,0|2,0,0]=4 6063 B12R1.28 C=CCSCc1cccc(c1)O 62a_100011660834_100000210623 [0,2,0,0,0,0|2,0,0]=4 6064 B12R1.28 CCCCNc1cccc(c1)Br 34a_100000210019_100000210210 [0,2,0,0,0,0|2,0,0]=4 6065 B12R1.28 CCCCNc1cccc(c1)C 2230a_100000188690_100000210211 [0,2,0,0,0,0|2,0,0]=4 6066 B12R1.28 CCCCNc1cccc(c1)C 34a_100000188690_100000210210 [0,2,0,0,0,0|2,0,0]=4 6067 B12R1.28 CCCCNc1cccc(c1)Cl 34a_100000185859_100000210210 [0,2,0,0,0,0|2,0,0]=4 6068 B12R1.28 CCCCNc1cccc(c1)F 34a_100000210047_100000210210 [0,2,0,0,0,0|2,0,0]=4 6069 B12R1.28 CCCCNc1cccc(c1)I 34a_100000211102_100000210210 [0,2,0,0,0,0|2,0,0]=4 6070 B12R1.28 CCCCNc1cccc(c1)O 34a_100000210217_100000210210 [0,2,0,0,0,0|2,0,0]=4 6071 B12R1.28 CCCCOc1cccc(c1)Br 34a_100000210342_100000210210 [0,2,0,0,0,0|2,0,0]=4 6072 B12R1.28 CCCCOc1cccc(c1)Br 7a_100000210342_100000210211 [0,2,0,0,0,0|2,0,0]=4 6073 B12R1.28 CCCCOc1cccc(c1)C 34a_100000210337_100000210210 [0,2,0,0,0,0|2,0,0]=4 6074 B12R1.28 CCCCOc1cccc(c1)C 7a_100000210337_100000210211 [0,2,0,0,0,0|2,0,0]=4 6075 B12R1.28 CCCCOc1cccc(c1)Cl 34a_100000210295_100000210210 [0,2,0,0,0,0|2,0,0]=4 6076 B12R1.28 CCCCOc1cccc(c1)Cl 7a_100000210295_100000210211 [0,2,0,0,0,0|2,0,0]=4 6077 B12R1.28 CCCCOc1cccc(c1)F 34a_100000210426_100000210210 [0,2,0,0,0,0|2,0,0]=4 6078 B12R1.28 CCCCOc1cccc(c1)F 7a_100000210426_100000210211 [0,2,0,0,0,0|2,0,0]=4 6079 B12R1.28 CCCCOc1cccc(c1)I 34a_100000211634_100000210210 [0,2,0,0,0,0|2,0,0]=4 6080 B12R1.28 CCCCOc1cccc(c1)I 7a_100000211634_100000210211 [0,2,0,0,0,0|2,0,0]=4 6081 B12R1.28 CCCCOc1cccc(c1)N 34a_100000210217_100000210210 [0,2,0,0,0,0|2,0,0]=4 6082 B12R1.28 CCCCOc1cccc(c1)O 271570a_203496583355_200011212284 [0,2,0,0,0,0|2,0,0]=4 6083 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000210211_100000691529 [0,2,0,0,0,0|2,0,0]=4 6084 B12R1.28 CCCCSc1cccc(c1)Br 62a_100000691529_100000210210 [0,2,0,0,0,0|2,0,0]=4 6085 B12R1.28 CCCCSc1cccc(c1)C 62a_100000210211_100011215228 [0,2,0,0,0,0|2,0,0]=4 6086 B12R1.28 CCCCSc1cccc(c1)C 62a_100011215228_100000210210 [0,2,0,0,0,0|2,0,0]=4 6087 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000210211_100000699651 [0,2,0,0,0,0|2,0,0]=4 6088 B12R1.28 CCCCSc1cccc(c1)Cl 62a_100000699651_100000210210 [0,2,0,0,0,0|2,0,0]=4 6089 B12R1.28 CCCCSc1cccc(c1)F 62a_100000210211_100000685547 [0,2,0,0,0,0|2,0,0]=4 6090 B12R1.28 CCCCSc1cccc(c1)F 62a_100000685547_100000210210 [0,2,0,0,0,0|2,0,0]=4 6091 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210019_100000210210 [0,2,0,0,0,0|2,0,0]=4 6092 B12R1.28 CCCCSc1cccc(c1)N 62a_100000210211_100000210019 [0,2,0,0,0,0|2,0,0]=4 6093 B12R1.28 CCCCSc1cccc(c1)O 271570a_203496583355_100010128134 [0,2,0,0,0,0|2,0,0]=4 6094 B12R1.28 CCCCSc1cccc(c1)O 62a_100000210211_100000211634 [0,2,0,0,0,0|2,0,0]=4 6095 B12R1.28 CCCCSc1cccc(c1)[S] 62a_100000210211_114929384022 [0,2,0,0,0,0|2,0,0]=4 6096 B12R1.28 CCCCSc1cccc(c1)[S] 62a_114929384022_100000210210 [0,2,0,0,0,0|2,0,0]=4 6097 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,2,0,0,0,0|2,0,0]=4 6098 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,2,0,0,0,0|2,0,0]=4 6099 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,2,0,0,0,0|2,0,0]=4 6100 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,2,0,0,0,0|2,0,0]=4 6101 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,2,0,0,0,0|2,0,0]=4 6102 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,2,0,0,0,0|2,0,0]=4 6105 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,2,0,0,0,0|2,0,0]=4 6106 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,2,0,0,0,0|2,0,0]=4 6107 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,2,0,0,0,0|2,0,0]=4 6108 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,2,0,0,0,0|2,0,0]=4 6112 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,2,0,0,0,0|2,0,0]=4 6113 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,2,0,0,0,0|2,0,0]=4 6114 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 6115 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,2,0,0,0,0|2,0,0]=4 6117 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,2,0,0,0,0|2,0,0]=4 6118 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 6119 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,2,0,0,0,0|2,0,0]=4 6120 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,2,0,0,0,0|2,0,0]=4 6121 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 6122 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,2,0,0,0,0|2,0,0]=4 6123 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,2,0,0,0,0|2,0,0]=4 6124 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,2,0,0,0,0|2,0,0]=4 6125 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,2,0,0,0,0|2,0,0]=4 6127 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,2,0,0,0,0|2,0,0]=4 6128 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,2,0,0,0,0|2,0,0]=4 6129 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,2,0,0,0,0|2,0,0]=4 6130 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,2,0,0,0,0|2,0,0]=4 6131 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,2,0,0,0,0|2,0,0]=4 6132 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,2,0,0,0,0|2,0,0]=4 6133 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,2,0,0,0,0|2,0,0]=4 6135 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,2,0,0,0,0|2,0,0]=4 6136 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,2,0,0,0,0|2,0,0]=4 6137 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,2,0,0,0,0|2,0,0]=4 6138 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,2,0,0,0,0|2,0,0]=4 6139 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,2,0,0,0,0|2,0,0]=4 6140 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,2,0,0,0,0|2,0,0]=4 6141 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,2,0,0,0,0|2,0,0]=4 6142 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,2,0,0,0,0|2,0,0]=4 6144 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,2,0,0,0,0|2,0,0]=4 6145 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,2,0,0,0,0|2,0,0]=4 6146 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,2,0,0,0,0|2,0,0]=4 6147 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100011207229_100000210202 [0,2,0,0,0,0|1,0,0]=3 6152 B12R1.28 CCNCCc1cccc(c1)Br 2230a_100015525214_100011740638 [0,2,0,0,0,0|1,0,0]=3 6153 B12R1.28 CCNCCc1cccc(c1)Br 34a_100011207229_100000210202 [0,2,0,0,0,0|1,0,0]=3 6154 B12R1.28 CCNCCc1cccc(c1)C 2230a_100000749837_100000210202 [0,2,0,0,0,0|1,0,0]=3 6155 B12R1.28 CCNCCc1cccc(c1)C 2230a_100015525214_100011713685 [0,2,0,0,0,0|1,0,0]=3 6156 B12R1.28 CCNCCc1cccc(c1)C 34a_100000749837_100000210202 [0,2,0,0,0,0|1,0,0]=3 6157 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100000185263_100000210202 [0,2,0,0,0,0|1,0,0]=3 6158 B12R1.28 CCNCCc1cccc(c1)Cl 2230a_100015525214_100011713710 [0,2,0,0,0,0|1,0,0]=3 6159 B12R1.28 CCNCCc1cccc(c1)Cl 34a_100000185263_100000210202 [0,2,0,0,0,0|1,0,0]=3 6160 B12R1.28 CCNCCc1cccc(c1)F 2230a_100000205154_100000210202 [0,2,0,0,0,0|1,0,0]=3 6161 B12R1.28 CCNCCc1cccc(c1)F 2230a_100015525214_100011217235 [0,2,0,0,0,0|1,0,0]=3 6162 B12R1.28 CCNCCc1cccc(c1)F 34a_100000205154_100000210202 [0,2,0,0,0,0|1,0,0]=3 6163 B12R1.28 CCNCCc1cccc(c1)O 2230a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 6164 B12R1.28 CCNCCc1cccc(c1)O 34a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 6165 B12R1.28 CCNCCc1cccc(n1)C 2230a_100011824523_100000210202 [0,2,0,0,0,0|2,0,0]=4 6166 B12R1.28 CCNCCc1cccc(n1)C 34a_100011824523_100000210202 [0,2,0,0,0,0|2,0,0]=4 6167 B12R1.28 CCOCCc1cccc(c1)Br 34a_100011217444_100000210202 [0,2,0,0,0,0|2,0,0]=4 6168 B12R1.28 CCOCCc1cccc(c1)Br 34a_100121572206_100011740638 [0,2,0,0,0,0|2,0,0]=4 6169 B12R1.28 CCOCCc1cccc(c1)Br 7a_100011217444_100000210202 [0,2,0,0,0,0|2,0,0]=4 6170 B12R1.28 CCOCCc1cccc(c1)C 34a_100011217157_100000210202 [0,2,0,0,0,0|2,0,0]=4 6171 B12R1.28 CCOCCc1cccc(c1)C 34a_100121572206_100011713685 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.28 CCOCCc1cccc(c1)C 7a_100011217157_100000210202 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100000754733_100000210202 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.28 CCOCCc1cccc(c1)Cl 34a_100121572206_100011713710 [0,2,0,0,0,0|2,0,0]=4 6175 B12R1.28 CCOCCc1cccc(c1)Cl 7a_100000754733_100000210202 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.28 CCOCCc1cccc(c1)F 34a_100000763591_100000210202 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.28 CCOCCc1cccc(c1)F 34a_100121572206_100011217235 [0,2,0,0,0,0|2,0,0]=4 6178 B12R1.28 CCOCCc1cccc(c1)F 7a_100000763591_100000210202 [0,2,0,0,0,0|2,0,0]=4 6179 B12R1.28 CCOCCc1cccc(c1)N 34a_100011996697_100000210202 [0,2,0,0,0,0|2,0,0]=4 6180 B12R1.28 CCSCCc1cccc(c1)Br 62a_100000210202_100011740638 [0,2,0,0,0,0|2,0,0]=4 6181 B12R1.28 CCSCCc1cccc(c1)Br 62a_100011740638_100000210202 [0,2,0,0,0,0|2,0,0]=4 6182 B12R1.28 CCSCCc1cccc(c1)C 62a_100000210202_100011713685 [0,2,0,0,0,0|2,0,0]=4 6183 B12R1.28 CCSCCc1cccc(c1)C 62a_100011713685_100000210202 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100000210202_100011713710 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.28 CCSCCc1cccc(c1)Cl 62a_100011713710_100000210202 [0,2,0,0,0,0|2,0,0]=4 6186 B12R1.28 CCSCCc1cccc(c1)F 62a_100000210202_100011217235 [0,2,0,0,0,0|2,0,0]=4 6187 B12R1.28 CCSCCc1cccc(c1)F 62a_100011217235_100000210202 [0,2,0,0,0,0|2,0,0]=4 6188 B12R1.28 CNCC#Cc1cccc(c1)Br 2230a_106832991635_100010706776 [0,2,0,0,0,0|1,0,1]=4 6189 B12R1.28 CNCC#Cc1cccc(c1)Br 34a_100102657272_100010706776 [0,2,0,0,0,0|1,0,1]=4 6190 B12R1.28 CNCC#Cc1cccc(c1)Br 7a_106832991635_100010706776 [0,2,0,0,0,0|1,0,1]=4 6191 B12R1.28 CNCC#Cc1cccc(c1)F 2230a_106832991635_100010402994 [0,2,0,0,0,0|1,0,1]=4 6192 B12R1.28 CNCC#Cc1cccc(c1)F 34a_100102657272_100010402994 [0,2,0,0,0,0|1,0,1]=4 6193 B12R1.28 CNCC#Cc1cccc(c1)F 7a_106832991635_100010402994 [0,2,0,0,0,0|1,0,1]=4 6194 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [0,2,0,0,0,0|1,0,1]=4 6195 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [0,2,0,0,0,0|1,0,1]=4 6196 B12R1.28 CNCCCc1cccc(c1)Br 2230a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 6197 B12R1.28 CNCCCc1cccc(c1)Br 2230a_106832991635_100011713683 [0,2,0,0,0,0|1,0,0]=3 6198 B12R1.28 CNCCCc1cccc(c1)Br 34a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 6199 B12R1.28 CNCCCc1cccc(c1)Br 34a_100102657272_100011713683 [0,2,0,0,0,0|1,0,0]=3 6200 B12R1.28 CNCCCc1cccc(c1)Br 7a_106832991635_100011713683 [0,2,0,0,0,0|1,0,0]=3 6201 B12R1.28 CNCCCc1cccc(c1)C 2230a_103496528808_200000210301 [0,2,0,0,0,0|1,0,0]=3 6202 B12R1.28 CNCCCc1cccc(c1)C 34a_103496528808_200000210301 [0,2,0,0,0,0|1,0,0]=3 6203 B12R1.28 CNCCCc1cccc(c1)Cl 2230a_100000704586_200000210301 [0,2,0,0,0,0|1,0,0]=3 6204 B12R1.28 CNCCCc1cccc(c1)Cl 34a_100000704586_200000210301 [0,2,0,0,0,0|1,0,0]=3 6205 B12R1.28 CNCCCc1cccc(c1)F 2230a_100000754185_200000210301 [0,2,0,0,0,0|1,0,0]=3 6206 B12R1.28 CNCCCc1cccc(c1)F 2230a_106832991635_200000698031 [0,2,0,0,0,0|1,0,0]=3 6207 B12R1.28 CNCCCc1cccc(c1)F 34a_100000754185_200000210301 [0,2,0,0,0,0|1,0,0]=3 6208 B12R1.28 CNCCCc1cccc(c1)F 34a_100102657272_200000698031 [0,2,0,0,0,0|1,0,0]=3 6209 B12R1.28 CNCCCc1cccc(c1)F 7a_106832991635_200000698031 [0,2,0,0,0,0|1,0,0]=3 6210 B12R1.28 CNCCOc1cccc(c1)Br 2230a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 6211 B12R1.28 CNCCOc1cccc(c1)Br 2230a_106832991635_100000183150 [0,2,0,0,0,0|1,0,0]=3 6212 B12R1.28 CNCCOc1cccc(c1)Br 34a_100000743521_200000210301 [0,2,0,0,0,0|1,0,0]=3 6213 B12R1.28 CNCCOc1cccc(c1)Br 34a_100102657272_100000183150 [0,2,0,0,0,0|1,0,0]=3 6214 B12R1.28 CNCCOc1cccc(c1)Br 7a_106832991635_100000183150 [0,2,0,0,0,0|1,0,0]=3 6215 B12R1.28 CNCCOc1cccc(c1)C 2230a_100015185188_200000210301 [0,2,0,0,0,0|1,0,0]=3 6216 B12R1.28 CNCCOc1cccc(c1)C 34a_100015185188_200000210301 [0,2,0,0,0,0|1,0,0]=3 6217 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_100000740232_200000210301 [0,2,0,0,0,0|1,0,0]=3 6218 B12R1.28 CNCCOc1cccc(c1)Cl 2230a_106832991635_100000181161 [0,2,0,0,0,0|1,0,0]=3 6219 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100000740232_200000210301 [0,2,0,0,0,0|1,0,0]=3 6220 B12R1.28 CNCCOc1cccc(c1)Cl 34a_100102657272_100000181161 [0,2,0,0,0,0|1,0,0]=3 6221 B12R1.28 CNCCOc1cccc(c1)Cl 7a_106832991635_100000181161 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.28 CNCCOc1cccc(c1)F 2230a_100000738948_200000210301 [0,2,0,0,0,0|1,0,0]=3 6223 B12R1.28 CNCCOc1cccc(c1)F 2230a_106832991635_100000739188 [0,2,0,0,0,0|1,0,0]=3 6224 B12R1.28 CNCCOc1cccc(c1)F 34a_100000738948_200000210301 [0,2,0,0,0,0|1,0,0]=3 6225 B12R1.28 CNCCOc1cccc(c1)F 34a_100102657272_100000739188 [0,2,0,0,0,0|1,0,0]=3 6226 B12R1.28 CNCCOc1cccc(c1)F 7a_106832991635_100000739188 [0,2,0,0,0,0|1,0,0]=3 6227 B12R1.28 CNCCOc1cccc(c1)O 271570a_203496583355_200000225663 [0,2,0,0,0,0|1,0,0]=3 6228 B12R1.28 COCCCc1cccc(c1)Br 34a_100011709248_200000210301 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.28 COCCCc1cccc(c1)Br 34a_100138415774_100011713683 [0,2,0,0,0,0|2,0,0]=4 6230 B12R1.28 COCCCc1cccc(c1)Br 7a_100011709248_200000210301 [0,2,0,0,0,0|2,0,0]=4 6231 B12R1.28 COCCCc1cccc(c1)Cl 34a_100011709246_200000210301 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.28 COCCCc1cccc(c1)Cl 7a_100011709246_200000210301 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.28 COCCCc1cccc(c1)F 34a_100138415774_200000698031 [0,2,0,0,0,0|2,0,0]=4 6234 B12R1.28 COCCCc1cccc(c1)N 34a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.28 COCCCc1cccc(c1)N 7a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.28 COCCNc1cccc(c1)Br 34a_100000210019_100011201679 [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.28 COCCNc1cccc(c1)C 2230a_100000188690_100011201679 [0,2,0,0,0,0|2,0,0]=4 6238 B12R1.28 COCCNc1cccc(c1)C 34a_100000188690_100011201679 [0,2,0,0,0,0|2,0,0]=4 6239 B12R1.28 COCCNc1cccc(c1)Cl 34a_100000185859_100011201679 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.28 COCCNc1cccc(c1)F 34a_100000210047_100011201679 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.28 COCCNc1cccc(c1)I 34a_100000211102_100011201679 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.28 COCCNc1cccc(c1)O 34a_100000210217_100011201679 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.28 COCCOc1cccc(c1)Br 34a_100000210342_100011201679 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.28 COCCOc1cccc(c1)Br 34a_100000757546_200000210301 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.28 COCCOc1cccc(c1)Br 34a_100138415774_100000183150 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.28 COCCOc1cccc(c1)Br 7a_100000210342_100000233755 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.28 COCCOc1cccc(c1)Br 7a_100000757546_200000210301 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.28 COCCOc1cccc(c1)C 34a_100000210337_100011201679 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.28 COCCOc1cccc(c1)C 34a_200011215094_200000210301 [0,2,0,0,0,0|2,0,0]=4 6250 B12R1.28 COCCOc1cccc(c1)C 7a_100000210337_100000233755 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.28 COCCOc1cccc(c1)C 7a_200011215094_200000210301 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.28 COCCOc1cccc(c1)F 34a_100000210426_100011201679 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.28 COCCOc1cccc(c1)F 34a_100138415774_100000739188 [0,2,0,0,0,0|2,0,0]=4 6259 B12R1.28 COCCOc1cccc(c1)F 7a_100000210426_100000233755 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.28 COCCOc1cccc(c1)I 34a_100000211634_100011201679 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.28 COCCOc1cccc(c1)I 7a_100000211634_100000233755 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.28 COCCOc1cccc(c1)N 34a_100000210217_100011201679 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.28 COCCOc1cccc(c1)N 34a_100011232151_200000210301 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.28 COCCOc1cccc(c1)O 271570a_203496583355_100000742273 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.28 COCCSc1cccc(c1)Br 62a_100000233755_100000691529 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.28 COCCSc1cccc(c1)Br 62a_100000691529_100000233755 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.28 COCCSc1cccc(c1)Br 7a_200011756134_200000210301 [0,2,0,0,0,0|2,0,0]=4 6268 B12R1.28 COCCSc1cccc(c1)C 34a_200011432187_200000210301 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.28 COCCSc1cccc(c1)C 62a_100000233755_100011215228 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.28 COCCSc1cccc(c1)C 62a_100011215228_100000233755 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.28 COCCSc1cccc(c1)C 7a_200011432187_200000210301 [0,2,0,0,0,0|2,0,0]=4 6272 B12R1.28 COCCSc1cccc(c1)Cl 34a_200011721761_200000210301 [0,2,0,0,0,0|2,0,0]=4 6273 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000233755_100000699651 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.28 COCCSc1cccc(c1)Cl 62a_100000699651_100000233755 [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.28 COCCSc1cccc(c1)Cl 7a_200011721761_200000210301 [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.28 COCCSc1cccc(c1)F 34a_200011996949_200000210301 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.28 COCCSc1cccc(c1)F 62a_100000233755_100000685547 [0,2,0,0,0,0|2,0,0]=4 6278 B12R1.28 COCCSc1cccc(c1)F 62a_100000685547_100000233755 [0,2,0,0,0,0|2,0,0]=4 6279 B12R1.28 COCCSc1cccc(c1)F 7a_200011996949_200000210301 [0,2,0,0,0,0|2,0,0]=4 6280 B12R1.28 COCCSc1cccc(c1)N 62a_100000210019_100000233755 [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.28 COCCSc1cccc(c1)N 62a_100000233755_100000210019 [0,2,0,0,0,0|2,0,0]=4 6282 B12R1.28 COCCSc1cccc(c1)O 271570a_203496583355_200009815756 [0,2,0,0,0,0|2,0,0]=4 6283 B12R1.28 COCCSc1cccc(c1)O 62a_100000233755_100000211634 [0,2,0,0,0,0|2,0,0]=4 6284 B12R1.28 COCCSc1cccc(c1)[S] 62a_100000233755_114929384022 [0,2,0,0,0,0|2,0,0]=4 6285 B12R1.28 COCCSc1cccc(c1)[S] 62a_114929384022_100000233755 [0,2,0,0,0,0|2,0,0]=4 6286 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,2,0,0,0,0|2,0,0]=4 6288 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,2,0,0,0,0|2,0,0]=4 6289 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,2,0,0,0,0|2,0,0]=4 6290 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,2,0,0,0,0|2,0,0]=4 6291 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,2,0,0,0,0|2,0,0]=4 6292 B12R1.28 COCSCc1cccc(c1)Br 62a_100000211773_100000766300 [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.28 COCSCc1cccc(c1)Br 62a_100000766300_100000211773 [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.28 COCSCc1cccc(c1)C 62a_100000211840_100000766300 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.28 COCSCc1cccc(c1)C 62a_100000766300_100000211840 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000187163_100000766300 [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.28 COCSCc1cccc(c1)Cl 62a_100000766300_100000187163 [0,2,0,0,0,0|2,0,0]=4 6298 B12R1.28 COCSCc1cccc(c1)F 62a_100000230114_100000766300 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.28 COCSCc1cccc(c1)F 62a_100000766300_100000230114 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.28 COCSCc1cccc(c1)I 62a_100000766300_100011218688 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.28 COCSCc1cccc(c1)I 62a_100011218688_100000766300 [0,2,0,0,0,0|2,0,0]=4 6302 B12R1.28 COCSCc1cccc(c1)O 62a_100000766300_100011660834 [0,2,0,0,0,0|2,0,0]=4 6303 B12R1.28 COCSCc1cccc(c1)O 62a_100011660834_100000766300 [0,2,0,0,0,0|2,0,0]=4 6304 B12R1.28 CSCCCc1cccc(c1)Br 62a_100011713683_200000210301 [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.28 CSCCCc1cccc(c1)Br 62a_200000210301_100011713683 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.28 CSCCCc1cccc(c1)F 62a_200000210301_200000698031 [0,2,0,0,0,0|2,0,0]=4 6307 B12R1.28 CSCCCc1cccc(c1)F 62a_200000698031_200000210301 [0,2,0,0,0,0|2,0,0]=4 6308 B12R1.28 CSCCNc1cccc(c1)Br 34a_100000210019_100000212216 [0,2,0,0,0,0|2,0,0]=4 6309 B12R1.28 CSCCNc1cccc(c1)C 2230a_100000188690_100000751147 [0,2,0,0,0,0|2,0,0]=4 6310 B12R1.28 CSCCNc1cccc(c1)C 34a_100000188690_100000212216 [0,2,0,0,0,0|2,0,0]=4 6311 B12R1.28 CSCCNc1cccc(c1)Cl 34a_100000185859_100000212216 [0,2,0,0,0,0|2,0,0]=4 6312 B12R1.28 CSCCNc1cccc(c1)F 34a_100000210047_100000212216 [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.28 CSCCNc1cccc(c1)I 34a_100000211102_100000212216 [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.28 CSCCNc1cccc(c1)O 34a_100000210217_100000212216 [0,2,0,0,0,0|2,0,0]=4 6315 B12R1.28 CSCCOc1cccc(c1)Br 34a_100000210342_100000212216 [0,2,0,0,0,0|2,0,0]=4 6316 B12R1.28 CSCCOc1cccc(c1)Br 62a_100000183150_200000210301 [0,2,0,0,0,0|2,0,0]=4 6317 B12R1.28 CSCCOc1cccc(c1)Br 62a_200000210301_100000183150 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.28 CSCCOc1cccc(c1)Br 7a_100000210342_100000212216 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.28 CSCCOc1cccc(c1)C 34a_100000210337_100000212216 [0,2,0,0,0,0|2,0,0]=4 6320 B12R1.28 CSCCOc1cccc(c1)C 7a_100000210337_100000212216 [0,2,0,0,0,0|2,0,0]=4 6321 B12R1.28 CSCCOc1cccc(c1)Cl 34a_100000210295_100000212216 [0,2,0,0,0,0|2,0,0]=4 6322 B12R1.28 CSCCOc1cccc(c1)Cl 62a_100000181161_200000210301 [0,2,0,0,0,0|2,0,0]=4 6323 B12R1.28 CSCCOc1cccc(c1)Cl 62a_200000210301_100000181161 [0,2,0,0,0,0|2,0,0]=4 6324 B12R1.28 CSCCOc1cccc(c1)Cl 7a_100000210295_100000212216 [0,2,0,0,0,0|2,0,0]=4 6325 B12R1.28 CSCCOc1cccc(c1)F 34a_100000210426_100000212216 [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.28 CSCCOc1cccc(c1)F 62a_100000739188_200000210301 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.28 CSCCOc1cccc(c1)F 62a_200000210301_100000739188 [0,2,0,0,0,0|2,0,0]=4 6328 B12R1.28 CSCCOc1cccc(c1)F 7a_100000210426_100000212216 [0,2,0,0,0,0|2,0,0]=4 6329 B12R1.28 CSCCOc1cccc(c1)I 34a_100000211634_100000212216 [0,2,0,0,0,0|2,0,0]=4 6330 B12R1.28 CSCCOc1cccc(c1)I 7a_100000211634_100000212216 [0,2,0,0,0,0|2,0,0]=4 6331 B12R1.28 CSCCOc1cccc(c1)N 34a_100000210217_100000212216 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000212216_100000691529 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.28 CSCCSc1cccc(c1)Br 62a_100000691529_100000751147 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.28 CSCCSc1cccc(c1)C 62a_100000212216_100011215228 [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.28 CSCCSc1cccc(c1)C 62a_100011215228_100000751147 [0,2,0,0,0,0|2,0,0]=4 6336 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000212216_100000699651 [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.28 CSCCSc1cccc(c1)Cl 62a_100000699651_100000751147 [0,2,0,0,0,0|2,0,0]=4 6338 B12R1.28 CSCCSc1cccc(c1)F 62a_100000212216_100000685547 [0,2,0,0,0,0|2,0,0]=4 6339 B12R1.28 CSCCSc1cccc(c1)F 62a_100000685547_100000751147 [0,2,0,0,0,0|2,0,0]=4 6340 B12R1.28 CSCCSc1cccc(c1)N 62a_100000210019_100000751147 [0,2,0,0,0,0|2,0,0]=4 6341 B12R1.28 CSCCSc1cccc(c1)N 62a_100000212216_100000210019 [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.28 CSCCSc1cccc(c1)O 62a_100000212216_100000211634 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.28 CSCCSc1cccc(c1)[S] 62a_100000212216_114929384022 [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.28 CSCCSc1cccc(c1)[S] 62a_114929384022_100000751147 [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,2,0,0,0,0|2,0,0]=4 6346 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,2,0,0,0,0|2,0,0]=4 6347 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,2,0,0,0,0|2,0,0]=4 6350 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,2,0,0,0,0|2,0,0]=4 6351 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,2,0,0,0,0|2,0,0]=4 6352 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,2,0,0,0,0|2,0,0]=4 6353 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,2,0,0,0,0|2,0,0]=4 6354 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,2,0,0,0,0|2,0,0]=4 6355 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,2,0,0,0,0|2,0,0]=4 6356 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,2,0,0,0,0|2,0,0]=4 6357 B12R1.28 CSCOCc1cccc(c1)Br 34a_100000687537_100011218213 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.28 CSCOCc1cccc(c1)C 34a_100011217746_100011218213 [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.28 CSCOCc1cccc(c1)Cl 34a_100000241301_100011218213 [0,2,0,0,0,0|2,0,0]=4 6360 B12R1.28 CSCOCc1cccc(c1)F 34a_100000210976_100011218213 [0,2,0,0,0,0|2,0,0]=4 6361 B12R1.28 CSCOCc1cccc(c1)I 34a_100011215336_100011218213 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.28 CSCOCc1cccc(c1)N 34a_100000211919_100011218213 [0,2,0,0,0,0|2,0,0]=4 6363 B12R1.28 CSCSCc1cccc(c1)Br 62a_100000211773_100011218213 [0,2,0,0,0,0|2,0,0]=4 6364 B12R1.28 CSCSCc1cccc(c1)Br 62a_100011218213_100000211773 [0,2,0,0,0,0|2,0,0]=4 6365 B12R1.28 CSCSCc1cccc(c1)C 62a_100000211840_100011218213 [0,2,0,0,0,0|2,0,0]=4 6366 B12R1.28 CSCSCc1cccc(c1)C 62a_100011218213_100000211840 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100000187163_100011218213 [0,2,0,0,0,0|2,0,0]=4 6368 B12R1.28 CSCSCc1cccc(c1)Cl 62a_100011218213_100000187163 [0,2,0,0,0,0|2,0,0]=4 6369 B12R1.28 CSCSCc1cccc(c1)F 62a_100000230114_100011218213 [0,2,0,0,0,0|2,0,0]=4 6370 B12R1.28 CSCSCc1cccc(c1)F 62a_100011218213_100000230114 [0,2,0,0,0,0|2,0,0]=4 6371 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218213_100011218688 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.28 CSCSCc1cccc(c1)I 62a_100011218688_100011218213 [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.28 CSCSCc1cccc(c1)O 62a_100011218213_100011660834 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.28 CSCSCc1cccc(c1)O 62a_100011660834_100011218213 [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.28 Cc1cc(ccn1)COCCN 34a_100000210304_200020672517 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 2230a_103496528808_200025704644 [0,2,0,0,0,0|1,0,0]=3 6377 B12R1.28 Cc1cccc(c1)CCCN[13CH3] 34a_103496528808_200025704644 [0,2,0,0,0,0|1,0,0]=3 6378 B12R1.28 Cc1cccc(c1)CCNCF 34a_100000749837_100015361967 [0,2,0,0,0,0|1,0,0]=3 6379 B12R1.28 Cc1cccc(c1)CCOCF 34a_100011217157_100015361967 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.28 Cc1cccc(c1)CCOCF 7a_100011217157_100015361967 [0,2,0,0,0,0|2,0,0]=4 6381 B12R1.28 Cc1cccc(c1)CCSCF 62a_100011713685_100015361967 [0,2,0,0,0,0|2,0,0]=4 6382 B12R1.28 Cc1cccc(c1)CCSCF 62a_100015361967_100011713685 [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.28 Cc1cccc(c1)CNCC#N 2230a_100000185548_100011215382 [0,2,0,0,0,0|1,0,1]=4 6384 B12R1.28 Cc1cccc(c1)CNCC=O 2230a_100000185548_200015260668 [0,2,0,0,0,0|2,0,0]=4 6385 B12R1.28 Cc1cccc(c1)CNCC=O 34a_100000185548_200009817547 [0,2,0,0,0,0|2,0,0]=4 6386 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,2,0,0,0,0|2,0,0]=4 6389 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,2,0,0,0,0|2,0,0]=4 6391 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,2,0,0,0,0|2,0,0]=4 6392 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.28 Cc1cccc(c1)COCC#N 7a_100011217746_100011215382 [0,2,0,0,0,0|1,0,1]=4 6396 B12R1.28 Cc1cccc(c1)COCC=O 34a_100011217746_200009817547 [0,2,0,0,0,0|2,0,0]=4 6397 B12R1.28 Cc1cccc(c1)COCC=O 7a_100011217746_200015260668 [0,2,0,0,0,0|2,0,0]=4 6398 B12R1.28 Cc1cccc(c1)COCCBr 34a_100000211926_100000211840 [0,2,0,0,0,0|2,0,0]=4 6399 B12R1.28 Cc1cccc(c1)COCCF 34a_100011217746_100011217306 [0,2,0,0,0,0|2,0,0]=4 6400 B12R1.28 Cc1cccc(c1)COCCF 7a_100011217746_100011217306 [0,2,0,0,0,0|2,0,0]=4 6401 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,2,0,0,0,0|1,0,0]=3 6402 B12R1.28 Cc1cccc(c1)COCCO 34a_100011217746_100000211926 [0,2,0,0,0,0|2,0,0]=4 6403 B12R1.28 Cc1cccc(c1)COCCO 7a_100011217746_100000211926 [0,2,0,0,0,0|2,0,0]=4 6404 B12R1.28 Cc1cccc(c1)CSCC#N 62a_100000211840_100011215382 [0,2,0,0,0,0|1,0,1]=4 6405 B12R1.28 Cc1cccc(c1)CSCC#N 62a_100011215382_100000211840 [0,2,0,0,0,0|1,0,1]=4 6406 B12R1.28 Cc1cccc(c1)CSCC=O 62a_100000211840_200015260668 [0,2,0,0,0,0|2,0,0]=4 6407 B12R1.28 Cc1cccc(c1)CSCC=O 62a_200015260668_100000211840 [0,2,0,0,0,0|2,0,0]=4 6408 B12R1.28 Cc1cccc(c1)CSCCF 62a_100000211840_100011217306 [0,2,0,0,0,0|2,0,0]=4 6409 B12R1.28 Cc1cccc(c1)CSCCF 62a_100011217306_100000211840 [0,2,0,0,0,0|2,0,0]=4 6410 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211840_100000211926 [0,2,0,0,0,0|2,0,0]=4 6411 B12R1.28 Cc1cccc(c1)CSCCO 62a_100000211926_100000211840 [0,2,0,0,0,0|2,0,0]=4 6412 B12R1.28 Cc1cccc(c1)NCCC#N 2230a_100000188690_100011215226 [0,2,0,0,0,0|1,0,1]=4 6413 B12R1.28 Cc1cccc(c1)NCCCF 2230a_100000188690_100011934791 [0,2,0,0,0,0|2,0,0]=4 6414 B12R1.28 Cc1cccc(c1)NCCCF 34a_100000188690_100011934791 [0,2,0,0,0,0|2,0,0]=4 6415 B12R1.28 Cc1cccc(c1)NCCCO 2230a_100000188690_100000230001 [0,2,0,0,0,0|2,0,0]=4 6416 B12R1.28 Cc1cccc(c1)NCCCO 34a_100000188690_100000230001 [0,2,0,0,0,0|2,0,0]=4 6417 B12R1.28 Cc1cccc(c1)OCCC#N 7a_100000210337_100000184422 [0,2,0,0,0,0|1,0,1]=4 6418 B12R1.28 Cc1cccc(c1)OCCCF 34a_100000210337_100011934791 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.28 Cc1cccc(c1)OCCCF 7a_100000210337_100011934791 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.28 Cc1cccc(c1)OCCCO 34a_100000210337_100000230001 [0,2,0,0,0,0|2,0,0]=4 6421 B12R1.28 Cc1cccc(c1)OCCCO 7a_100000210337_100011215043 [0,2,0,0,0,0|2,0,0]=4 6422 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 2230a_100015185188_200025704644 [0,2,0,0,0,0|1,0,0]=3 6423 B12R1.28 Cc1cccc(c1)OCCN[13CH3] 34a_100015185188_200025704644 [0,2,0,0,0,0|1,0,0]=3 6424 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 34a_200011215094_200025704644 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.28 Cc1cccc(c1)OCCO[13CH3] 7a_200011215094_200025704644 [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215226_100011215228 [0,2,0,0,0,0|1,0,1]=4 6427 B12R1.28 Cc1cccc(c1)SCCC#N 62a_100011215228_100011215226 [0,2,0,0,0,0|1,0,1]=4 6428 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011215228_100011934791 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.28 Cc1cccc(c1)SCCCF 62a_100011934791_100011215228 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215043_100011215228 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.28 Cc1cccc(c1)SCCCO 62a_100011215228_100011215043 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 34a_200011432187_200025704644 [0,2,0,0,0,0|2,0,0]=4 6433 B12R1.28 Cc1cccc(c1)SCCO[13CH3] 7a_200011432187_200025704644 [0,2,0,0,0,0|2,0,0]=4 6434 B12R1.28 Cc1cccc(n1)CCNCF 34a_100011824523_100015361967 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.28 Cc1cccc(n1)COCCN 34a_100000210304_100000757606 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.28 Cc1ccnc(c1)COCCN 34a_100000210304_100000718516 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.28 Cc1cncc(c1)COCCN 34a_100000210304_100000716715 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.28 Clc1cccc(c1)COCCBr 34a_100000211926_100000187163 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.28 FCCCNc1cccc(c1)Br 34a_100000210019_100011934791 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.28 FCCCNc1cccc(c1)Cl 34a_100000185859_100011934791 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.28 FCCCNc1cccc(c1)F 34a_100000210047_100011934791 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.28 FCCCNc1cccc(c1)I 34a_100000211102_100011934791 [0,2,0,0,0,0|2,0,0]=4 6443 B12R1.28 FCCCOc1cccc(c1)Br 34a_100000210342_100011934791 [0,2,0,0,0,0|2,0,0]=4 6444 B12R1.28 FCCCOc1cccc(c1)Br 7a_100000210342_100011934791 [0,2,0,0,0,0|2,0,0]=4 6445 B12R1.28 FCCCOc1cccc(c1)Cl 34a_100000210295_100011934791 [0,2,0,0,0,0|2,0,0]=4 6446 B12R1.28 FCCCOc1cccc(c1)Cl 7a_100000210295_100011934791 [0,2,0,0,0,0|2,0,0]=4 6447 B12R1.28 FCCCOc1cccc(c1)F 34a_100000210426_100011934791 [0,2,0,0,0,0|2,0,0]=4 6448 B12R1.28 FCCCOc1cccc(c1)F 7a_100000210426_100011934791 [0,2,0,0,0,0|2,0,0]=4 6449 B12R1.28 FCCCOc1cccc(c1)I 34a_100000211634_100011934791 [0,2,0,0,0,0|2,0,0]=4 6450 B12R1.28 FCCCOc1cccc(c1)I 7a_100000211634_100011934791 [0,2,0,0,0,0|2,0,0]=4 6451 B12R1.28 FCCCSc1cccc(c1)Br 62a_100000691529_100011934791 [0,2,0,0,0,0|2,0,0]=4 6452 B12R1.28 FCCCSc1cccc(c1)Br 62a_100011934791_100000691529 [0,2,0,0,0,0|2,0,0]=4 6453 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100000699651_100011934791 [0,2,0,0,0,0|2,0,0]=4 6454 B12R1.28 FCCCSc1cccc(c1)Cl 62a_100011934791_100000699651 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.28 FCCCSc1cccc(c1)F 62a_100000685547_100011934791 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.28 FCCCSc1cccc(c1)F 62a_100011934791_100000685547 [0,2,0,0,0,0|2,0,0]=4 6457 B12R1.28 FCCCSc1cccc(c1)[S] 62a_100011934791_114929384022 [0,2,0,0,0,0|2,0,0]=4 6458 B12R1.28 FCCCSc1cccc(c1)[S] 62a_114929384022_100011934791 [0,2,0,0,0,0|2,0,0]=4 6459 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,2,0,0,0,0|2,0,0]=4 6460 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,2,0,0,0,0|2,0,0]=4 6461 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,2,0,0,0,0|2,0,0]=4 6462 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,2,0,0,0,0|2,0,0]=4 6463 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,2,0,0,0,0|2,0,0]=4 6467 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,2,0,0,0,0|2,0,0]=4 6468 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,2,0,0,0,0|2,0,0]=4 6469 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,2,0,0,0,0|2,0,0]=4 6470 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.28 FCCOCc1cccc(c1)Br 34a_100000687537_100011217306 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.28 FCCOCc1cccc(c1)Br 7a_100000687537_100011217306 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.28 FCCOCc1cccc(c1)Cl 34a_100000241301_100011217306 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.28 FCCOCc1cccc(c1)Cl 7a_100000241301_100011217306 [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.28 FCCOCc1cccc(c1)F 34a_100000210976_100011217306 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.28 FCCOCc1cccc(c1)F 7a_100000210976_100011217306 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.28 FCCOCc1cccc(c1)I 34a_100011215336_100011217306 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.28 FCCOCc1cccc(c1)I 7a_100011215336_100011217306 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.28 FCCSCc1cccc(c1)Br 62a_100000211773_100011217306 [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.28 FCCSCc1cccc(c1)Br 62a_100011217306_100000211773 [0,2,0,0,0,0|2,0,0]=4 6481 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100000187163_100011217306 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.28 FCCSCc1cccc(c1)Cl 62a_100011217306_100000187163 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.28 FCCSCc1cccc(c1)F 62a_100000230114_100011217306 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.28 FCCSCc1cccc(c1)F 62a_100011217306_100000230114 [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.28 FCCSCc1cccc(c1)I 62a_100011217306_100011218688 [0,2,0,0,0,0|2,0,0]=4 6486 B12R1.28 FCCSCc1cccc(c1)I 62a_100011218688_100011217306 [0,2,0,0,0,0|2,0,0]=4 6487 B12R1.28 FCNCCc1cccc(c1)Br 34a_100011207229_100015361967 [0,2,0,0,0,0|1,0,0]=3 6488 B12R1.28 FCNCCc1cccc(c1)Cl 34a_100000185263_100015361967 [0,2,0,0,0,0|1,0,0]=3 6489 B12R1.28 FCNCCc1cccc(c1)F 34a_100000205154_100015361967 [0,2,0,0,0,0|1,0,0]=3 6490 B12R1.28 FCOCCc1cccc(c1)Br 34a_100011217444_100015361967 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.28 FCOCCc1cccc(c1)Br 7a_100011217444_100015361967 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.28 FCOCCc1cccc(c1)Cl 34a_100000754733_100015361967 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.28 FCOCCc1cccc(c1)Cl 7a_100000754733_100015361967 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.28 FCOCCc1cccc(c1)F 34a_100000763591_100015361967 [0,2,0,0,0,0|2,0,0]=4 6495 B12R1.28 FCOCCc1cccc(c1)F 7a_100000763591_100015361967 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.28 FCSCCc1cccc(c1)Br 62a_100011740638_100015361967 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.28 FCSCCc1cccc(c1)Br 62a_100015361967_100011740638 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100011713710_100015361967 [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.28 FCSCCc1cccc(c1)Cl 62a_100015361967_100011713710 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.28 FCSCCc1cccc(c1)F 62a_100011217235_100015361967 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.28 FCSCCc1cccc(c1)F 62a_100015361967_100011217235 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.28 Fc1cccc(c1)COCCBr 34a_100000211926_100000187166 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.28 N#CCCOc1cccc(c1)Br 7a_100000210342_100000184422 [0,2,0,0,0,0|1,0,1]=4 6504 B12R1.28 N#CCCOc1cccc(c1)Cl 7a_100000210295_100000184422 [0,2,0,0,0,0|1,0,1]=4 6505 B12R1.28 N#CCCOc1cccc(c1)F 7a_100000210426_100000184422 [0,2,0,0,0,0|1,0,1]=4 6506 B12R1.28 N#CCCOc1cccc(c1)I 7a_100000211634_100000184422 [0,2,0,0,0,0|1,0,1]=4 6507 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100000691529_100011215226 [0,2,0,0,0,0|1,0,1]=4 6508 B12R1.28 N#CCCSc1cccc(c1)Br 62a_100011215226_100000691529 [0,2,0,0,0,0|1,0,1]=4 6509 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100000699651_100011215226 [0,2,0,0,0,0|1,0,1]=4 6510 B12R1.28 N#CCCSc1cccc(c1)Cl 62a_100011215226_100000699651 [0,2,0,0,0,0|1,0,1]=4 6511 B12R1.28 N#CCCSc1cccc(c1)F 62a_100000685547_100011215226 [0,2,0,0,0,0|1,0,1]=4 6512 B12R1.28 N#CCCSc1cccc(c1)F 62a_100011215226_100000685547 [0,2,0,0,0,0|1,0,1]=4 6513 B12R1.28 N#CCCSc1cccc(c1)N 62a_100000210019_100011215226 [0,2,0,0,0,0|1,0,1]=4 6514 B12R1.28 N#CCCSc1cccc(c1)N 62a_100011215226_100000210019 [0,2,0,0,0,0|1,0,1]=4 6515 B12R1.28 N#CCCSc1cccc(c1)O 62a_100011215226_100000211634 [0,2,0,0,0,0|1,0,1]=4 6516 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_100011215226_114929384022 [0,2,0,0,0,0|1,0,1]=4 6517 B12R1.28 N#CCCSc1cccc(c1)[S] 62a_114929384022_100011215226 [0,2,0,0,0,0|1,0,1]=4 6518 B12R1.28 N#CCNCc1cccc(c1)Br 2230a_100000174977_100011215382 [0,2,0,0,0,0|1,0,1]=4 6519 B12R1.28 N#CCNCc1cccc(c1)Cl 2230a_100000174878_100011215382 [0,2,0,0,0,0|1,0,1]=4 6520 B12R1.28 N#CCNCc1cccc(c1)F 2230a_100000174948_100011215382 [0,2,0,0,0,0|1,0,1]=4 6521 B12R1.28 N#CCNCc1cccc(c1)I 2230a_100000106179_100011215382 [0,2,0,0,0,0|1,0,1]=4 6522 B12R1.28 N#CCNCc1cccc(c1)O 2230a_100000743036_100011215382 [0,2,0,0,0,0|1,0,1]=4 6523 B12R1.28 N#CCOCc1cccc(c1)Br 7a_100000687537_100011215382 [0,2,0,0,0,0|1,0,1]=4 6524 B12R1.28 N#CCOCc1cccc(c1)Cl 7a_100000241301_100011215382 [0,2,0,0,0,0|1,0,1]=4 6525 B12R1.28 N#CCOCc1cccc(c1)F 7a_100000210976_100011215382 [0,2,0,0,0,0|1,0,1]=4 6526 B12R1.28 N#CCOCc1cccc(c1)I 7a_100011215336_100011215382 [0,2,0,0,0,0|1,0,1]=4 6527 B12R1.28 N#CCSCc1cccc(c1)Br 62a_100000211773_100011215382 [0,2,0,0,0,0|1,0,1]=4 6528 B12R1.28 N#CCSCc1cccc(c1)Br 62a_100011215382_100000211773 [0,2,0,0,0,0|1,0,1]=4 6529 B12R1.28 N#CCSCc1cccc(c1)Cl 62a_100000187163_100011215382 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.28 N#CCSCc1cccc(c1)Cl 62a_100011215382_100000187163 [0,2,0,0,0,0|1,0,1]=4 6531 B12R1.28 N#CCSCc1cccc(c1)F 62a_100000230114_100011215382 [0,2,0,0,0,0|1,0,1]=4 6532 B12R1.28 N#CCSCc1cccc(c1)F 62a_100011215382_100000230114 [0,2,0,0,0,0|1,0,1]=4 6533 B12R1.28 N#CCSCc1cccc(c1)I 62a_100011215382_100011218688 [0,2,0,0,0,0|1,0,1]=4 6534 B12R1.28 N#CCSCc1cccc(c1)I 62a_100011218688_100011215382 [0,2,0,0,0,0|1,0,1]=4 6535 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011215382_100011660834 [0,2,0,0,0,0|1,0,1]=4 6536 B12R1.28 N#CCSCc1cccc(c1)O 62a_100011660834_100011215382 [0,2,0,0,0,0|1,0,1]=4 6537 B12R1.28 NCCOCc1cc(ccn1)Br 34a_100000210304_100010173614 [0,2,0,0,0,0|2,0,0]=4 6538 B12R1.28 NCCOCc1cc(ccn1)Cl 34a_100000210304_100016988179 [0,2,0,0,0,0|2,0,0]=4 6539 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,2,0,0,0,0|1,0,0]=3 6540 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,2,0,0,0,0|1,0,0]=3 6541 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,2,0,0,0,0|1,0,0]=3 6542 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,2,0,0,0,0|1,0,0]=3 6543 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,2,0,0,0,0|1,0,0]=3 6544 B12R1.28 NCCOCc1cccc(n1)Br 34a_100000210304_100009889011 [0,2,0,0,0,0|2,0,0]=4 6545 B12R1.28 NCCOCc1cccc(n1)Cl 34a_100000210304_100000086093 [0,2,0,0,0,0|2,0,0]=4 6546 B12R1.28 NCCOCc1cccc(n1)F 34a_100000210304_100009819644 [0,2,0,0,0,0|2,0,0]=4 6547 B12R1.28 NCCOCc1ccnc(c1)Br 34a_100000210304_100010243470 [0,2,0,0,0,0|2,0,0]=4 6548 B12R1.28 NCCOCc1ccnc(c1)Cl 34a_100000210304_100000764220 [0,2,0,0,0,0|2,0,0]=4 6549 B12R1.28 NCCOCc1cncc(c1)Br 34a_100000210304_100000738771 [0,2,0,0,0,0|2,0,0]=4 6550 B12R1.28 NCCOCc1cncc(c1)Cl 34a_100000210304_100016992070 [0,2,0,0,0,0|2,0,0]=4 6551 B12R1.28 NCCOCc1cncc(c1)F 34a_100000210304_100000725299 [0,2,0,0,0,0|2,0,0]=4 6552 B12R1.28 Nc1cccc(c1)CCOCF 34a_100011996697_100015361967 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.28 Nc1cccc(c1)COCC=O 34a_100000211919_200009817547 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.28 Nc1cccc(c1)COCCF 34a_100000211919_100011217306 [0,2,0,0,0,0|2,0,0]=4 6555 B12R1.28 Nc1cccc(c1)COCCO 34a_100000211919_100000211926 [0,2,0,0,0,0|2,0,0]=4 6556 B12R1.28 Nc1cccc(c1)OCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.28 Nc1cccc(c1)OCCCO 34a_100000210217_100000230001 [0,2,0,0,0,0|2,0,0]=4 6558 B12R1.28 Nc1cccc(c1)SCCCF 62a_100000210019_100011934791 [0,2,0,0,0,0|2,0,0]=4 6559 B12R1.28 Nc1cccc(c1)SCCCF 62a_100011934791_100000210019 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.28 Nc1cccc(c1)SCCCO 62a_100000210019_100011215043 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.28 Nc1cccc(c1)SCCCO 62a_100011215043_100000210019 [0,2,0,0,0,0|2,0,0]=4 6562 B12R1.28 O=CCNCc1cccc(c1)Br 2230a_100000174977_200015260668 [0,2,0,0,0,0|2,0,0]=4 6563 B12R1.28 O=CCNCc1cccc(c1)Br 34a_100000174977_200009817547 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.28 O=CCNCc1cccc(c1)Cl 2230a_100000174878_200015260668 [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.28 O=CCNCc1cccc(c1)Cl 34a_100000174878_200009817547 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.28 O=CCNCc1cccc(c1)F 2230a_100000174948_200015260668 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.28 O=CCNCc1cccc(c1)F 34a_100000174948_200009817547 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.28 O=CCNCc1cccc(c1)I 2230a_100000106179_200015260668 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.28 O=CCNCc1cccc(c1)I 34a_100000106179_200009817547 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.28 O=CCNCc1cccc(c1)O 2230a_100000743036_200015260668 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.28 O=CCNCc1cccc(c1)O 34a_100000743036_200009817547 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.28 O=CCOCc1cccc(c1)Br 34a_100000687537_200009817547 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.28 O=CCOCc1cccc(c1)Br 7a_100000687537_200015260668 [0,2,0,0,0,0|2,0,0]=4 6574 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,2,0,0,0,0|2,0,0]=4 6575 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.28 O=CCOCc1cccc(c1)F 34a_100000210976_200009817547 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.28 O=CCOCc1cccc(c1)F 7a_100000210976_200015260668 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.28 O=CCOCc1cccc(c1)I 34a_100011215336_200009817547 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.28 O=CCOCc1cccc(c1)I 7a_100011215336_200015260668 [0,2,0,0,0,0|2,0,0]=4 6580 B12R1.28 O=CCSCc1cccc(c1)Br 62a_100000211773_200015260668 [0,2,0,0,0,0|2,0,0]=4 6581 B12R1.28 O=CCSCc1cccc(c1)Br 62a_200015260668_100000211773 [0,2,0,0,0,0|2,0,0]=4 6582 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_100000187163_200015260668 [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.28 O=CCSCc1cccc(c1)Cl 62a_200015260668_100000187163 [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.28 O=CCSCc1cccc(c1)F 62a_100000230114_200015260668 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.28 O=CCSCc1cccc(c1)F 62a_200015260668_100000230114 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.28 O=CCSCc1cccc(c1)I 62a_100011218688_200015260668 [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.28 O=CCSCc1cccc(c1)I 62a_200015260668_100011218688 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.28 O=CCSCc1cccc(c1)O 62a_100011660834_200015260668 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.28 O=CCSCc1cccc(c1)O 62a_200015260668_100011660834 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.28 OCCCNc1cccc(c1)Br 34a_100000210019_100000230001 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.28 OCCCNc1cccc(c1)Cl 34a_100000185859_100000230001 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.28 OCCCNc1cccc(c1)F 34a_100000210047_100000230001 [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.28 OCCCNc1cccc(c1)I 34a_100000211102_100000230001 [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.28 OCCCNc1cccc(c1)O 34a_100000210217_100000230001 [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.28 OCCCOc1cccc(c1)Br 34a_100000210342_100000230001 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.28 OCCCOc1cccc(c1)Br 7a_100000210342_100011215043 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,2,0,0,0,0|2,0,0]=4 6598 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.28 OCCCOc1cccc(c1)F 34a_100000210426_100000230001 [0,2,0,0,0,0|2,0,0]=4 6600 B12R1.28 OCCCOc1cccc(c1)F 7a_100000210426_100011215043 [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.28 OCCCOc1cccc(c1)I 34a_100000211634_100000230001 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.28 OCCCOc1cccc(c1)I 7a_100000211634_100011215043 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.28 OCCCSc1cccc(c1)Br 62a_100000691529_100011215043 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.28 OCCCSc1cccc(c1)Br 62a_100011215043_100000691529 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100000699651_100011215043 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.28 OCCCSc1cccc(c1)Cl 62a_100011215043_100000699651 [0,2,0,0,0,0|2,0,0]=4 6607 B12R1.28 OCCCSc1cccc(c1)F 62a_100000685547_100011215043 [0,2,0,0,0,0|2,0,0]=4 6608 B12R1.28 OCCCSc1cccc(c1)F 62a_100011215043_100000685547 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.28 OCCCSc1cccc(c1)O 62a_100011215043_100000211634 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.28 OCCCSc1cccc(c1)[S] 62a_100011215043_114929384022 [0,2,0,0,0,0|2,0,0]=4 6611 B12R1.28 OCCCSc1cccc(c1)[S] 62a_114929384022_100011215043 [0,2,0,0,0,0|2,0,0]=4 6612 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,2,0,0,0,0|2,0,0]=4 6617 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,2,0,0,0,0|2,0,0]=4 6622 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,2,0,0,0,0|2,0,0]=4 6626 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,2,0,0,0,0|2,0,0]=4 6627 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,2,0,0,0,0|2,0,0]=4 6629 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,2,0,0,0,0|2,0,0]=4 6632 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,2,0,0,0,0|2,0,0]=4 6633 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,2,0,0,0,0|2,0,0]=4 6634 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,2,0,0,0,0|2,0,0]=4 6635 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,2,0,0,0,0|2,0,0]=4 6638 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,2,0,0,0,0|2,0,0]=4 6639 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,2,0,0,0,0|2,0,0]=4 6642 B12R1.28 OCCOCc1cccc(c1)Br 34a_100000687537_100000211926 [0,2,0,0,0,0|2,0,0]=4 6643 B12R1.28 OCCOCc1cccc(c1)Br 7a_100000687537_100000211926 [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,2,0,0,0,0|2,0,0]=4 6646 B12R1.28 OCCOCc1cccc(c1)F 34a_100000210976_100000211926 [0,2,0,0,0,0|2,0,0]=4 6647 B12R1.28 OCCOCc1cccc(c1)F 7a_100000210976_100000211926 [0,2,0,0,0,0|2,0,0]=4 6648 B12R1.28 OCCOCc1cccc(c1)I 34a_100011215336_100000211926 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.28 OCCOCc1cccc(c1)I 7a_100011215336_100000211926 [0,2,0,0,0,0|2,0,0]=4 6650 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211773_100000211926 [0,2,0,0,0,0|2,0,0]=4 6651 B12R1.28 OCCSCc1cccc(c1)Br 62a_100000211926_100000211773 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000187163_100000211926 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.28 OCCSCc1cccc(c1)Cl 62a_100000211926_100000187163 [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.28 OCCSCc1cccc(c1)F 62a_100000211926_100000230114 [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.28 OCCSCc1cccc(c1)F 62a_100000230114_100000211926 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.28 OCCSCc1cccc(c1)I 62a_100000211926_100011218688 [0,2,0,0,0,0|2,0,0]=4 6657 B12R1.28 OCCSCc1cccc(c1)I 62a_100011218688_100000211926 [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.28 OCCSCc1cccc(c1)O 62a_100000211926_100011660834 [0,2,0,0,0,0|2,0,0]=4 6659 B12R1.28 OCCSCc1cccc(c1)O 62a_100011660834_100000211926 [0,2,0,0,0,0|2,0,0]=4 6660 B12R1.28 Oc1cccc(c1)CCNCF 34a_100000747277_100015361967 [0,2,0,0,0,0|1,0,0]=3 6661 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,2,0,0,0,0|2,0,0]=4 6662 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,2,0,0,0,0|2,0,0]=4 6663 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|2,0,0]=4 6664 B12R1.28 Oc1cccc(c1)COCCBr 34a_100000211926_100011660834 [0,2,0,0,0,0|2,0,0]=4 6665 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011217306_100011660834 [0,2,0,0,0,0|2,0,0]=4 6666 B12R1.28 Oc1cccc(c1)CSCCF 62a_100011660834_100011217306 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.28 Oc1cccc(c1)NCCCF 34a_100000210217_100011934791 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.28 Oc1cccc(c1)SCCCF 62a_100011934791_100000211634 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 2230a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 6670 B12R1.28 [13CH3]NCCCc1cccc(c1)Br 34a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 6671 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 2230a_100000704586_200025704644 [0,2,0,0,0,0|1,0,0]=3 6672 B12R1.28 [13CH3]NCCCc1cccc(c1)Cl 34a_100000704586_200025704644 [0,2,0,0,0,0|1,0,0]=3 6673 B12R1.28 [13CH3]NCCCc1cccc(c1)F 2230a_100000754185_200025704644 [0,2,0,0,0,0|1,0,0]=3 6674 B12R1.28 [13CH3]NCCCc1cccc(c1)F 34a_100000754185_200025704644 [0,2,0,0,0,0|1,0,0]=3 6675 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 2230a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 6676 B12R1.28 [13CH3]NCCOc1cccc(c1)Br 34a_100000743521_200025704644 [0,2,0,0,0,0|1,0,0]=3 6677 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 2230a_100000740232_200025704644 [0,2,0,0,0,0|1,0,0]=3 6678 B12R1.28 [13CH3]NCCOc1cccc(c1)Cl 34a_100000740232_200025704644 [0,2,0,0,0,0|1,0,0]=3 6679 B12R1.28 [13CH3]NCCOc1cccc(c1)F 2230a_100000738948_200025704644 [0,2,0,0,0,0|1,0,0]=3 6680 B12R1.28 [13CH3]NCCOc1cccc(c1)F 34a_100000738948_200025704644 [0,2,0,0,0,0|1,0,0]=3 6681 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 34a_100011709248_200025704644 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.28 [13CH3]OCCCc1cccc(c1)Br 7a_100011709248_200025704644 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 34a_100011709246_200025704644 [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.28 [13CH3]OCCCc1cccc(c1)Cl 7a_100011709246_200025704644 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.28 [13CH3]OCCCc1cccc(c1)N 34a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.28 [13CH3]OCCCc1cccc(c1)N 7a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6687 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 34a_100000757546_200025704644 [0,2,0,0,0,0|2,0,0]=4 6688 B12R1.28 [13CH3]OCCOc1cccc(c1)Br 7a_100000757546_200025704644 [0,2,0,0,0,0|2,0,0]=4 6689 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.28 [13CH3]OCCOc1cccc(c1)N 34a_100011232151_200025704644 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.28 [13CH3]OCCSc1cccc(c1)Br 7a_200011756134_200025704644 [0,2,0,0,0,0|2,0,0]=4 6693 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 34a_200011721761_200025704644 [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.28 [13CH3]OCCSc1cccc(c1)Cl 7a_200011721761_200025704644 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.28 [13CH3]OCCSc1cccc(c1)F 34a_200011996949_200025704644 [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.28 [13CH3]OCCSc1cccc(c1)F 7a_200011996949_200025704644 [0,2,0,0,0,0|2,0,0]=4 6697 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_100011713683_200025704644 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.28 [13CH3]SCCCc1cccc(c1)Br 62a_200025704644_100011713683 [0,2,0,0,0,0|2,0,0]=4 6699 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200000698031_200025704644 [0,2,0,0,0,0|2,0,0]=4 6700 B12R1.28 [13CH3]SCCCc1cccc(c1)F 62a_200025704644_200000698031 [0,2,0,0,0,0|2,0,0]=4 6701 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_100000183150_200025704644 [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.28 [13CH3]SCCOc1cccc(c1)Br 62a_200025704644_100000183150 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_100000181161_200025704644 [0,2,0,0,0,0|2,0,0]=4 6704 B12R1.28 [13CH3]SCCOc1cccc(c1)Cl 62a_200025704644_100000181161 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_100000739188_200025704644 [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.28 [13CH3]SCCOc1cccc(c1)F 62a_200025704644_100000739188 [0,2,0,0,0,0|2,0,0]=4 6707 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,2,0,0,0,0|1,0,1]=4 6708 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,2,0,0,0,0|1,0,1]=4 6709 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,2,0,0,0,0|1,0,1]=4 6710 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,2,0,0,0,0|1,0,1]=4 6711 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 6712 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 6713 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,2,0,0,0,0|1,0,1]=4 6714 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,2,0,0,0,0|1,0,1]=4 6715 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 6716 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 6717 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,2,0,0,0,0|1,0,1]=4 6718 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,2,0,0,0,0|1,0,1]=4 6719 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 6720 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 6721 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,2,0,0,0,0|1,0,1]=4 6722 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,2,0,0,0,0|1,0,1]=4 6723 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 6724 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 6725 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,2,0,0,0,0|1,0,1]=4 6726 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,2,0,0,0,0|1,0,1]=4 6727 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,2,0,0,0,0|1,0,1]=4 6728 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,2,0,0,0,0|1,0,0]=3 6730 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,2,0,0,0,0|1,0,0]=3 6731 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,2,0,0,0,0|1,0,0]=3 6732 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.100 CCCCc1cc(cc(c1)Br)Br 271570a_100020621405_100009814770 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.100 CCCCc1cc(cc(c1)Br)Cl 271570a_100020621405_100009814755 [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.100 CCCCc1cc(cc(c1)Br)F 271570a_100020621405_100009814764 [0,2,0,0,0,0|2,0,0]=4 6736 B12R1.100 CCCCc1cc(cc(c1)Br)N 271570a_100020621405_100009814763 [0,2,0,0,0,0|2,0,0]=4 6737 B12R1.100 CCCCc1cc(cc(c1)Br)O 271570a_100020621405_100010068917 [0,2,0,0,0,0|2,0,0]=4 6738 B12R1.100 CCCCc1cc(cc(c1)C)C 271570a_100020621405_100011215608 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.100 CCCCc1cc(cc(c1)Cl)C 271570a_100020621405_100010172791 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.100 CCCCc1cc(cc(c1)Cl)Cl 271570a_100020621405_100000747138 [0,2,0,0,0,0|2,0,0]=4 6741 B12R1.100 CCCCc1cc(cc(c1)Cl)F 271570a_100020621405_100013859453 [0,2,0,0,0,0|2,0,0]=4 6742 B12R1.100 CCCCc1cc(cc(c1)Cl)N 271570a_100020621405_100010147676 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.100 CCCCc1cc(cc(c1)Cl)O 271570a_100020621405_100010068924 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.100 CCCCc1cc(cc(c1)F)C 271570a_100020621405_100011356977 [0,2,0,0,0,0|2,0,0]=4 6745 B12R1.100 CCCCc1cc(cc(c1)F)F 271570a_100020621405_100011218498 [0,2,0,0,0,0|2,0,0]=4 6746 B12R1.100 CCCCc1cc(cc(c1)F)N 271570a_100020621405_100011356972 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.100 CCCCc1cc(cc(c1)F)O 271570a_100020621405_100000717995 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.100 CCCCc1cc(cc(c1)N)C 271570a_100020621405_100000695972 [0,2,0,0,0,0|2,0,0]=4 6749 B12R1.100 CCCCc1cc(cc(c1)N)N 271570a_100020621405_100011999608 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.100 CCCCc1cc(cc(c1)O)O 271570a_100020621405_100009868816 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200000210301 [0,2,0,0,0,0|1,0,0]=3 6753 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 2230a_106832991635_100000691793 [0,2,0,0,0,0|1,0,0]=3 6754 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200000210301 [0,2,0,0,0,0|1,0,0]=3 6755 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 34a_100102657272_100000691793 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.100 CNCCc1cc(cc(c1)Cl)Cl 7a_106832991635_100000691793 [0,2,0,0,0,0|1,0,0]=3 6757 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_100000748410_200000210301 [0,2,0,0,0,0|1,0,0]=3 6758 B12R1.100 CNCCc1cc(cc(c1)F)F 2230a_106832991635_100011754442 [0,2,0,0,0,0|1,0,0]=3 6759 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100000748410_200000210301 [0,2,0,0,0,0|1,0,0]=3 6760 B12R1.100 CNCCc1cc(cc(c1)F)F 34a_100102657272_100011754442 [0,2,0,0,0,0|1,0,0]=3 6761 B12R1.100 CNCCc1cc(cc(c1)F)F 7a_106832991635_100011754442 [0,2,0,0,0,0|1,0,0]=3 6762 B12R1.100 COCCc1cc(cc(c1)Br)Br 34a_100010243668_200000210301 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.100 COCCc1cc(cc(c1)Br)Br 7a_100010243668_200000210301 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.100 COCCc1cc(cc(c1)Br)F 34a_100012630564_200000210301 [0,2,0,0,0,0|2,0,0]=4 6765 B12R1.100 COCCc1cc(cc(c1)Br)F 7a_100012630564_200000210301 [0,2,0,0,0,0|2,0,0]=4 6766 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200000210301 [0,2,0,0,0,0|2,0,0]=4 6767 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 34a_100138415774_100000691793 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.100 COCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200000210301 [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100011754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 6770 B12R1.100 COCCc1cc(cc(c1)F)F 34a_100138415774_100011754442 [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.100 COCCc1cc(cc(c1)F)F 7a_100011754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 6772 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200000210301 [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.100 CSCCc1cc(cc(c1)Cl)Cl 62a_200000210301_100000691793 [0,2,0,0,0,0|2,0,0]=4 6774 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_100011754442_200000210301 [0,2,0,0,0,0|2,0,0]=4 6775 B12R1.100 CSCCc1cc(cc(c1)F)F 62a_200000210301_100011754442 [0,2,0,0,0,0|2,0,0]=4 6776 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200025704644 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.100 [13CH3]NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200025704644 [0,2,0,0,0,0|1,0,0]=3 6778 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 2230a_100000748410_200025704644 [0,2,0,0,0,0|1,0,0]=3 6779 B12R1.100 [13CH3]NCCc1cc(cc(c1)F)F 34a_100000748410_200025704644 [0,2,0,0,0,0|1,0,0]=3 6780 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 34a_100010243668_200025704644 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)Br 7a_100010243668_200025704644 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 34a_100012630564_200025704644 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.100 [13CH3]OCCc1cc(cc(c1)Br)F 7a_100012630564_200025704644 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 34a_100000720051_200025704644 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.100 [13CH3]OCCc1cc(cc(c1)Cl)Cl 7a_100000720051_200025704644 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 34a_100011754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.100 [13CH3]OCCc1cc(cc(c1)F)F 7a_100011754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 6788 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_100000691793_200025704644 [0,2,0,0,0,0|2,0,0]=4 6789 B12R1.100 [13CH3]SCCc1cc(cc(c1)Cl)Cl 62a_200025704644_100000691793 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_100011754442_200025704644 [0,2,0,0,0,0|2,0,0]=4 6791 B12R1.100 [13CH3]SCCc1cc(cc(c1)F)F 62a_200025704644_100011754442 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,2,0,0,0,0|2,0,0]=4 6797 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,2,0,0,0,0|2,0,0]=4 6802 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.226 CN(C)CCc1cccc(c1)Br 2230a_100102631434_100011740638 [0,2,0,0,0,0|1,0,0]=3 6804 B12R1.226 CN(C)CCc1cccc(c1)Br 269982a_100102631434_100011740638 [0,2,0,0,0,0|1,0,0]=3 6805 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_100102631434_100011713710 [0,2,0,0,0,0|1,0,0]=3 6806 B12R1.226 CN(C)CCc1cccc(c1)Cl 2230a_106726388433_200000210301 [0,2,0,0,0,0|1,0,0]=3 6807 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_100102631434_100011713710 [0,2,0,0,0,0|1,0,0]=3 6808 B12R1.226 CN(C)CCc1cccc(c1)Cl 269982a_106726388433_200000210301 [0,2,0,0,0,0|1,0,0]=3 6809 B12R1.226 CN(C)CCc1cccc(c1)Cl 34a_106726388433_200000210301 [0,2,0,0,0,0|1,0,0]=3 6810 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_100102631434_100011217235 [0,2,0,0,0,0|1,0,0]=3 6811 B12R1.226 CN(C)CCc1cccc(c1)F 2230a_106726388868_200000210301 [0,2,0,0,0,0|1,0,0]=3 6812 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_100102631434_100011217235 [0,2,0,0,0,0|1,0,0]=3 6813 B12R1.226 CN(C)CCc1cccc(c1)F 269982a_106726388868_200000210301 [0,2,0,0,0,0|1,0,0]=3 6814 B12R1.226 CN(C)CCc1cccc(c1)F 34a_106726388868_200000210301 [0,2,0,0,0,0|1,0,0]=3 6815 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 2230a_106726388433_200025704644 [0,2,0,0,0,0|1,0,0]=3 6816 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 269982a_106726388433_200025704644 [0,2,0,0,0,0|1,0,0]=3 6817 B12R1.226 CN([13CH3])CCc1cccc(c1)Cl 34a_106726388433_200025704644 [0,2,0,0,0,0|1,0,0]=3 6818 B12R1.226 CN([13CH3])CCc1cccc(c1)F 2230a_106726388868_200025704644 [0,2,0,0,0,0|1,0,0]=3 6819 B12R1.226 CN([13CH3])CCc1cccc(c1)F 269982a_106726388868_200025704644 [0,2,0,0,0,0|1,0,0]=3 6820 B12R1.226 CN([13CH3])CCc1cccc(c1)F 34a_106726388868_200025704644 [0,2,0,0,0,0|1,0,0]=3 6821 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,2,0,0,0,0|2,0,0]=4 6822 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_100102631434_100011713685 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.226 Cc1cccc(c1)CCN(C)C 2230a_114849113767_200000210301 [0,2,0,0,0,0|1,0,0]=3 6824 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_100102631434_100011713685 [0,2,0,0,0,0|1,0,0]=3 6825 B12R1.226 Cc1cccc(c1)CCN(C)C 269982a_114849113767_200000210301 [0,2,0,0,0,0|1,0,0]=3 6826 B12R1.226 Cc1cccc(c1)CCN(C)C 34a_114849113767_200000210301 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 2230a_114849113767_200025704644 [0,2,0,0,0,0|1,0,0]=3 6828 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 269982a_114849113767_200025704644 [0,2,0,0,0,0|1,0,0]=3 6829 B12R1.226 Cc1cccc(c1)CCN(C)[13CH3] 34a_114849113767_200025704644 [0,2,0,0,0,0|1,0,0]=3 6830 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,2,0,0,0,0|2,0,0]=4 6833 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,2,0,0,0,0|2,0,0]=4 6836 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,2,0,0,0,0|1,0,0]=3 6837 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,2,0,0,0,0|2,0,0]=4 6838 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,2,0,0,0,0|2,0,0]=4 6839 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,2,0,0,0,0|2,0,0]=4 6840 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,2,0,0,0,0|2,0,0]=4 6841 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,2,0,0,0,0|2,0,0]=4 6842 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,2,0,0,0,0|2,0,0]=4 6843 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,2,0,0,0,0|2,0,0]=4 6844 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,2,0,0,0,0|2,0,0]=4 6845 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,2,0,0,0,0|2,0,0]=4 6846 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,2,0,0,0,0|2,0,0]=4 6847 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,2,0,0,0,0|2,0,0]=4 6848 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,2,0,0,0,0|2,0,0]=4 6849 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,2,0,0,0,0|2,0,0]=4 6850 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,2,0,0,0,0|2,0,0]=4 6851 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,2,0,0,0,0|2,0,0]=4 6852 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,2,0,0,0,0|2,0,0]=4 6853 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,2,0,0,0,0|2,0,0]=4 6854 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,2,0,0,0,0|2,0,0]=4 6856 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,2,0,0,0,0|2,0,0]=4 6857 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,2,0,0,0,0|2,0,0]=4 6858 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,2,0,0,0,0|2,0,0]=4 6859 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,2,0,0,0,0|2,0,0]=4 6860 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,2,0,0,0,0|2,0,0]=4 6861 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,2,0,0,0,0|2,0,0]=4 6862 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,2,0,0,0,0|2,0,0]=4 6863 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,2,0,0,0,0|2,0,0]=4 6864 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.382 C=Cc1cccc(c1)CCC#N 271570a_100011290941_100011219771 [0,2,0,0,0,0|1,0,1]=4 6869 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.382 C=Cc1cccc(c1)CCCN 271570a_100011290941_100000753791 [0,2,0,0,0,0|1,0,0]=3 6871 B12R1.382 C=Cc1cccc(c1)CCCO 271570a_100011290941_100011709248 [0,2,0,0,0,0|2,0,0]=4 6872 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,2,0,0,0,0|2,0,0]=4 6873 B12R1.382 CCCCc1cccc(c1)C#N 271570a_100020621405_100000189340 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [0,2,0,0,0,0|2,0,0]=4 6875 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.382 CCCCc1cccc(c1)CF 271570a_100020621405_100010878472 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.382 CCCCc1cccc(c1)CN 271570a_100020621405_100000106179 [0,2,0,0,0,0|2,0,0]=4 6878 B12R1.382 CCCCc1cccc(c1)CO 271570a_100020621405_100000687537 [0,2,0,0,0,0|2,0,0]=4 6879 B12R1.382 CCCCc1cccc(c1)NC 2230a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 6880 B12R1.382 CCCCc1cccc(c1)NC 271570a_100020621405_100000219648 [0,2,0,0,0,0|2,0,0]=4 6881 B12R1.382 CCCCc1cccc(c1)NC 34a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 6882 B12R1.382 CCCCc1cccc(c1)NC 7a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.382 CCCCc1cccc(c1)NN 271570a_100020621405_100000217339 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.382 CCCCc1cccc(c1)N[13CH3] 2230a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 6885 B12R1.382 CCCCc1cccc(c1)N[13CH3] 34a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 6886 B12R1.382 CCCCc1cccc(c1)N[13CH3] 7a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 6887 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,2,0,0,0,0|2,0,0]=4 6888 B12R1.382 CCCCc1cccc(c1)SC 271570a_100020621405_100011215954 [0,2,0,0,0,0|2,0,0]=4 6889 B12R1.382 CCCCc1cccc(c1)SC 62a_200000210301_200010244551 [0,2,0,0,0,0|2,0,0]=4 6890 B12R1.382 CCCCc1cccc(c1)SC 62a_200010244551_200000210301 [0,2,0,0,0,0|2,0,0]=4 6891 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200010244551_200025704644 [0,2,0,0,0,0|2,0,0]=4 6892 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200025704644_200010244551 [0,2,0,0,0,0|2,0,0]=4 6893 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [0,2,0,0,0,0|1,0,0]=3 6894 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [0,2,0,0,0,0|1,0,0]=3 6895 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [0,2,0,0,0,0|1,0,0]=3 6896 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [0,2,0,0,0,0|1,0,0]=3 6897 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [0,2,0,0,0,0|1,0,0]=3 6898 B12R1.382 CNc1cccc(c1)CCCO 2230a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6899 B12R1.382 CNc1cccc(c1)CCCO 34a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6900 B12R1.382 CNc1cccc(c1)CCCO 7a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6901 B12R1.382 COCCc1cccc(c1)C#N 34a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 6902 B12R1.382 COCCc1cccc(c1)C#N 7a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 6903 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [0,2,0,0,0,0|2,0,0]=4 6904 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [0,2,0,0,0,0|2,0,0]=4 6905 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [0,2,0,0,0,0|2,0,0]=4 6906 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [0,2,0,0,0,0|2,0,0]=4 6911 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [0,2,0,0,0,0|2,0,0]=4 6912 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [0,2,0,0,0,0|2,0,0]=4 6913 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [0,2,0,0,0,0|2,0,0]=4 6914 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [0,2,0,0,0,0|2,0,0]=4 6915 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.382 CSc1cccc(c1)CCC#N 62a_100011219771_200000210301 [0,2,0,0,0,0|1,0,1]=4 6917 B12R1.382 CSc1cccc(c1)CCC#N 62a_200000210301_100011219771 [0,2,0,0,0,0|1,0,1]=4 6918 B12R1.382 CSc1cccc(c1)CCCN 62a_100000753791_200000210301 [0,2,0,0,0,0|1,0,0]=3 6919 B12R1.382 CSc1cccc(c1)CCCN 62a_200000210301_100000753791 [0,2,0,0,0,0|1,0,0]=3 6920 B12R1.382 CSc1cccc(c1)CCCO 62a_100011709248_200000210301 [0,2,0,0,0,0|2,0,0]=4 6921 B12R1.382 CSc1cccc(c1)CCCO 62a_200000210301_100011709248 [0,2,0,0,0,0|2,0,0]=4 6922 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [0,2,0,0,0,0|2,0,0]=4 6923 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [0,2,0,0,0,0|2,0,0]=4 6924 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 2230a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6925 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 34a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6926 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 7a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 34a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 7a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [0,2,0,0,0,0|2,0,0]=4 6930 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [0,2,0,0,0,0|2,0,0]=4 6931 B12R1.382 [13CH3]Sc1cccc(c1)CCC#N 62a_100011219771_200025704644 [0,2,0,0,0,0|1,0,1]=4 6932 B12R1.382 [13CH3]Sc1cccc(c1)CCC#N 62a_200025704644_100011219771 [0,2,0,0,0,0|1,0,1]=4 6933 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_100000753791_200025704644 [0,2,0,0,0,0|1,0,0]=3 6934 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_200025704644_100000753791 [0,2,0,0,0,0|1,0,0]=3 6935 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_100011709248_200025704644 [0,2,0,0,0,0|2,0,0]=4 6936 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_200025704644_100011709248 [0,2,0,0,0,0|2,0,0]=4 6937 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [0,2,0,0,0,0|2,0,0]=4 6938 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [0,2,0,0,0,0|2,0,0]=4 6939 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,2,0,0,0,0|2,0,0]=4 6940 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,2,0,0,0,0|2,0,0]=4 6941 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [0,2,0,0,0,0|2,0,0]=4 6942 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,2,0,0,0,0|2,0,0]=4 6948 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,2,0,0,0,0|2,0,0]=4 6949 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [0,2,0,0,0,0|2,0,0]=4 6950 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [0,2,0,0,0,0|2,0,0]=4 6951 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [0,2,0,0,0,0|2,0,0]=4 6952 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [0,2,0,0,0,0|2,0,0]=4 6953 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [0,2,0,0,0,0|2,0,0]=4 6954 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [0,2,0,0,0,0|1,0,0]=3 6955 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [0,2,0,0,0,0|1,0,0]=3 6956 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [0,2,0,0,0,0|1,0,0]=3 6957 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,2,0,0,0,0|2,0,0]=4 6958 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [0,2,0,0,0,0|2,0,0]=4 6959 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [0,2,0,0,0,0|2,0,0]=4 6963 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.8 C/C=C/COCc1ccccc1 34a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.8 C/C=C/COCc1ccccc1 34a_100016270725_100015291786 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.8 C/C=C/COCc1ccccc1 7a_100000210790_100102629194 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.8 C/C=C/CSCc1ccccc1 62a_100000211182_100102629194 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.8 C/C=C/CSCc1ccccc1 62a_100102629194_100015291786 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.8 C=CCCCNc1ccccc1 34a_100000106764_100000757094 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.8 C=CCCCOc1ccccc1 34a_100000210340_100000757094 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.8 C=CCCCOc1ccccc1 7a_100000210340_100000757094 [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.8 C=CCCCSc1ccccc1 62a_100000719477_100000757094 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.8 C=CCCCSc1ccccc1 62a_100011713584_100000041952 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.8 C=CCCOCc1ccccc1 34a_100000210790_100000754431 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.8 C=CCCOCc1ccccc1 34a_100011205117_100015291786 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.8 C=CCCOCc1ccccc1 7a_100000210790_100000754431 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.8 C=CCCSCc1ccccc1 62a_100000211182_100000754431 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.8 C=CCCSCc1ccccc1 62a_100000754431_100015291786 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [0,2,0,0,0,0|1,0,0]=3 6985 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [0,2,0,0,0,0|1,0,0]=3 6986 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [0,2,0,0,0,0|1,0,0]=3 6987 B12R1.8 C=CCNCCc1ccccn1 2230a_100020586998_100015183660 [0,2,0,0,0,0|2,0,0]=4 6988 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,2,0,0,0,0|2,0,0]=4 6989 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,2,0,0,0,0|2,0,0]=4 6990 B12R1.8 C=CCNCCc1ccncc1 2230a_100020586998_100000723409 [0,2,0,0,0,0|2,0,0]=4 6991 B12R1.8 C=CCNCSc1ccccc1 2230a_100020586998_100011218342 [0,2,0,0,0,0|2,0,0]=4 6992 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [0,2,0,0,0,0|2,0,0]=4 6993 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [0,2,0,0,0,0|2,0,0]=4 6994 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [0,2,0,0,0,0|2,0,0]=4 6995 B12R1.8 C=CCSCCc1ccccc1 62a_100000210623_100011218657 [0,2,0,0,0,0|2,0,0]=4 6996 B12R1.8 C=CCSCCc1ccccc1 62a_100000765856_100000210623 [0,2,0,0,0,0|2,0,0]=4 6997 B12R1.8 C=CCSCSc1ccccc1 62a_100000210623_100011218342 [0,2,0,0,0,0|2,0,0]=4 6998 B12R1.8 C=CCSCSc1ccccc1 62a_100011218342_100000210623 [0,2,0,0,0,0|2,0,0]=4 6999 B12R1.8 C=COCCNc1ccccc1 34a_100000106764_100000039644 [0,2,0,0,0,0|2,0,0]=4 7000 B12R1.8 C=COCCOc1ccccc1 34a_100000210340_100000039644 [0,2,0,0,0,0|2,0,0]=4 7001 B12R1.8 C=COCCOc1ccccc1 7a_100000210340_100000039644 [0,2,0,0,0,0|2,0,0]=4 7002 B12R1.8 C=COCCSc1ccccc1 62a_100000039644_100000041952 [0,2,0,0,0,0|2,0,0]=4 7003 B12R1.8 C=COCCSc1ccccc1 62a_100000719477_100000039644 [0,2,0,0,0,0|2,0,0]=4 7004 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,2,0,0,0,0|2,0,0]=4 7005 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,2,0,0,0,0|2,0,0]=4 7006 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,2,0,0,0,0|2,0,0]=4 7007 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,2,0,0,0,0|2,0,0]=4 7008 B12R1.8 CC#CCOCc1ccccc1 34a_100000210790_100000748600 [0,2,0,0,0,0|2,0,0]=4 7009 B12R1.8 CC#CCOCc1ccccc1 34a_100000761923_100015291786 [0,2,0,0,0,0|2,0,0]=4 7010 B12R1.8 CC#CCOCc1ccccc1 7a_100000210790_100000748600 [0,2,0,0,0,0|2,0,0]=4 7011 B12R1.8 CC#CCSCc1ccccc1 62a_100000211182_100000748600 [0,2,0,0,0,0|2,0,0]=4 7012 B12R1.8 CC#CCSCc1ccccc1 62a_100000748600_100015291786 [0,2,0,0,0,0|2,0,0]=4 7013 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,2,0,0,0,0|2,0,0]=4 7014 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,2,0,0,0,0|2,0,0]=4 7015 B12R1.8 CC=CCOCc1ccccc1 34a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 7016 B12R1.8 CC=CCOCc1ccccc1 7a_100000210790_100000070051 [0,2,0,0,0,0|2,0,0]=4 7017 B12R1.8 CC=CCSCc1ccccc1 62a_100000070051_100015291786 [0,2,0,0,0,0|2,0,0]=4 7018 B12R1.8 CC=CCSCc1ccccc1 62a_100000211182_100000070051 [0,2,0,0,0,0|2,0,0]=4 7019 B12R1.8 CC=NNCCc1ccccc1 4a_100000740470_200000210099 [0,2,0,0,0,0|0,0,1]=3 7020 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [0,2,0,0,0,0|2,0,0]=4 7021 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,2,0,0,0,0|2,0,0]=4 7025 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,2,0,0,0,0|2,0,0]=4 7028 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,2,0,0,0,0|2,0,0]=4 7029 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,2,0,0,0,0|2,0,0]=4 7032 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,2,0,0,0,0|2,0,0]=4 7033 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,2,0,0,0,0|2,0,0]=4 7037 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,2,0,0,0,0|1,0,0]=3 7039 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,2,0,0,0,0|1,0,0]=3 7040 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,2,0,0,0,0|2,0,0]=4 7041 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,2,0,0,0,0|2,0,0]=4 7042 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,2,0,0,0,0|2,0,0]=4 7044 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,2,0,0,0,0|2,0,0]=4 7045 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,2,0,0,0,0|2,0,0]=4 7046 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,2,0,0,0,0|2,0,0]=4 7047 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [0,2,0,0,0,0|1,0,1]=4 7049 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 7050 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [0,2,0,0,0,0|1,0,1]=4 7051 B12R1.8 CCNCC#Cc1ccccc1 2230a_100015525214_100011352542 [0,2,0,0,0,0|1,0,1]=4 7052 B12R1.8 CCNCC#Cc1ccccc1 34a_100000735379_100000210202 [0,2,0,0,0,0|1,0,1]=4 7053 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [0,2,0,0,0,0|1,0,1]=4 7054 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,2,0,0,0,0|1,0,0]=3 7056 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,2,0,0,0,0|1,0,0]=3 7057 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,2,0,0,0,0|2,0,0]=4 7059 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [0,2,0,0,0,0|2,0,0]=4 7060 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [0,2,0,0,0,0|1,0,0]=3 7064 B12R1.8 CCNCCOc1ccccn1 2230a_106741647558_100000210202 [0,2,0,0,0,0|2,0,0]=4 7065 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [0,2,0,0,0,0|1,0,0]=3 7067 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [0,2,0,0,0,0|1,0,0]=3 7068 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [0,2,0,0,0,0|0,0,2]=4 7071 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,2,0,0,0,0|2,0,0]=4 7074 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [0,2,0,0,0,0|2,0,0]=4 7076 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [0,2,0,0,0,0|2,0,0]=4 7077 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [0,2,0,0,0,0|2,0,0]=4 7078 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [0,2,0,0,0,0|2,0,0]=4 7079 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [0,2,0,0,0,0|2,0,0]=4 7080 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [0,2,0,0,0,0|2,0,0]=4 7081 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [0,2,0,0,0,0|2,0,0]=4 7082 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [0,2,0,0,0,0|2,0,0]=4 7083 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [0,2,0,0,0,0|2,0,0]=4 7084 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [0,2,0,0,0,0|2,0,0]=4 7085 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,2,0,0,0,0|2,0,0]=4 7086 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,2,0,0,0,0|2,0,0]=4 7087 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,2,0,0,0,0|2,0,0]=4 7088 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,2,0,0,0,0|2,0,0]=4 7089 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,2,0,0,0,0|2,0,0]=4 7090 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,2,0,0,0,0|2,0,0]=4 7091 B12R1.8 CCSCCNc1ccccc1 34a_100000106764_100000757381 [0,2,0,0,0,0|2,0,0]=4 7092 B12R1.8 CCSCCOc1ccccc1 34a_100000210340_100000757381 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.8 CCSCCOc1ccccc1 62a_100000184471_100000210202 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.8 CCSCCOc1ccccc1 62a_100000210202_100000184471 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.8 CCSCCOc1ccccc1 7a_100000210340_100000757381 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.8 CCSCCSc1ccccc1 62a_100000210202_100000246102 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.8 CCSCCSc1ccccc1 62a_100000246102_100000210202 [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.8 CCSCCSc1ccccc1 62a_100000719477_100000757381 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.8 CCSCCSc1ccccc1 62a_100000757381_100000041952 [0,2,0,0,0,0|2,0,0]=4 7100 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,2,0,0,0,0|2,0,0]=4 7101 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,2,0,0,0,0|2,0,0]=4 7102 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,2,0,0,0,0|2,0,0]=4 7103 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,2,0,0,0,0|1,0,0]=3 7105 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,2,0,0,0,0|1,0,0]=3 7106 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,2,0,0,0,0|1,0,0]=3 7108 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,2,0,0,0,0|1,0,0]=3 7109 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,2,0,0,0,0|2,0,0]=4 7110 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,2,0,0,0,0|2,0,0]=4 7111 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 7112 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,2,0,0,0,0|1,0,0]=3 7114 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,2,0,0,0,0|1,0,0]=3 7115 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,2,0,0,0,0|1,0,0]=3 7116 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,2,0,0,0,0|1,0,0]=3 7117 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,2,0,0,0,0|1,0,0]=3 7118 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,2,0,0,0,0|1,0,0]=3 7119 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,2,0,0,0,0|1,0,0]=3 7120 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 7121 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 7122 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,2,0,0,0,0|1,0,0]=3 7123 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,2,0,0,0,0|1,0,0]=3 7124 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,2,0,0,0,0|1,0,0]=3 7125 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7128 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,2,0,0,0,0|1,0,0]=3 7129 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,2,0,0,0,0|1,0,0]=3 7130 B12R1.8 CNCCSSc1ccccn1 2230a_100016995281_200000210301 [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.8 CNCCSSc1ccccn1 7a_100016995281_200000210301 [0,2,0,0,0,0|2,0,0]=4 7132 B12R1.8 COCCC#Cc1ccccc1 34a_100000760064_200000210301 [0,2,0,0,0,0|2,0,0]=4 7133 B12R1.8 COCCC#Cc1ccccc1 7a_100000760064_200000210301 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,2,0,0,0,0|2,0,0]=4 7136 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,2,0,0,0,0|2,0,0]=4 7137 B12R1.8 COCCCNc1ccccc1 34a_100000106764_100000740836 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.8 COCCCNc1ccccc1 34a_100000212590_200000210301 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.8 COCCCOc1ccccc1 34a_100000210340_100000740836 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.8 COCCCOc1ccccc1 34a_100011215863_200000210301 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.8 COCCCOc1ccccc1 34a_100138415774_100000199009 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.8 COCCCOc1ccccc1 7a_100000210340_100000740836 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.8 COCCCOc1ccccc1 7a_100011215863_200000210301 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.8 COCCCSc1ccccc1 34a_100138415774_200011203293 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.8 COCCCSc1ccccc1 62a_100000709357_100000041952 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.8 COCCCSc1ccccc1 62a_100000719477_100000709357 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,2,0,0,0,0|2,0,0]=4 7149 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,2,0,0,0,0|2,0,0]=4 7150 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,2,0,0,0,0|2,0,0]=4 7151 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 7152 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,2,0,0,0,0|2,0,0]=4 7160 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,2,0,0,0,0|1,0,0]=3 7165 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.8 COCSCCc1ccccc1 62a_100000765856_100000766300 [0,2,0,0,0,0|2,0,0]=4 7167 B12R1.8 COCSCCc1ccccc1 62a_100000766300_100011218657 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.8 COCSCSc1ccccc1 62a_100000766300_100011218342 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.8 COCSCSc1ccccc1 62a_100011218342_100000766300 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,2,0,0,0,0|2,0,0]=4 7172 B12R1.8 CSCCCOc1ccccc1 62a_100000199009_200000210301 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.8 CSCCCOc1ccccc1 62a_200000210301_100000199009 [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.8 CSCCCSc1ccccc1 62a_200000210301_200011203293 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.8 CSCCCSc1ccccc1 62a_200011203293_200000210301 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,2,0,0,0,0|2,0,0]=4 7183 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,2,0,0,0,0|2,0,0]=4 7184 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,2,0,0,0,0|2,0,0]=4 7185 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,2,0,0,0,0|2,0,0]=4 7186 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,2,0,0,0,0|2,0,0]=4 7187 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,2,0,0,0,0|2,0,0]=4 7188 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,2,0,0,0,0|2,0,0]=4 7189 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,2,0,0,0,0|2,0,0]=4 7190 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,2,0,0,0,0|2,0,0]=4 7191 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,2,0,0,0,0|1,0,0]=3 7192 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,2,0,0,0,0|1,0,0]=3 7193 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,2,0,0,0,0|2,0,0]=4 7194 B12R1.8 CSCOCCc1ccccc1 34a_100000210268_100011218213 [0,2,0,0,0,0|2,0,0]=4 7195 B12R1.8 CSCSCCc1ccccc1 62a_100000765856_100011218213 [0,2,0,0,0,0|2,0,0]=4 7196 B12R1.8 CSCSCCc1ccccc1 62a_100011218213_100011218657 [0,2,0,0,0,0|2,0,0]=4 7197 B12R1.8 CSCSCSc1ccccc1 62a_100011218213_100011218342 [0,2,0,0,0,0|2,0,0]=4 7198 B12R1.8 CSCSCSc1ccccc1 62a_100011218342_100011218213 [0,2,0,0,0,0|2,0,0]=4 7199 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,2,0,0,0,0|2,0,0]=4 7200 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,2,0,0,0,0|2,0,0]=4 7201 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,2,0,0,0,0|2,0,0]=4 7202 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,2,0,0,0,0|2,0,0]=4 7203 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,2,0,0,0,0|2,0,0]=4 7204 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,2,0,0,0,0|1,0,0]=3 7217 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,2,0,0,0,0|1,0,0]=3 7218 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,2,0,0,0,0|1,0,0]=3 7219 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,2,0,0,0,0|2,0,0]=4 7220 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,2,0,0,0,0|2,0,0]=4 7222 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,2,0,0,0,0|2,0,0]=4 7223 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,2,0,0,0,0|2,0,0]=4 7224 B12R1.8 FCCSCSc1ccccc1 62a_100011217306_100011218342 [0,2,0,0,0,0|2,0,0]=4 7225 B12R1.8 FCCSCSc1ccccc1 62a_100011218342_100011217306 [0,2,0,0,0,0|2,0,0]=4 7226 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [0,2,0,0,0,0|1,0,1]=4 7227 B12R1.8 FCNCC#Cc1ccccc1 34a_100000735379_100015361967 [0,2,0,0,0,0|1,0,1]=4 7228 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,2,0,0,0,0|1,0,0]=3 7229 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,2,0,0,0,0|2,0,0]=4 7230 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [0,2,0,0,0,0|1,0,0]=3 7231 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,2,0,0,0,0|2,0,0]=4 7232 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,2,0,0,0,0|2,0,0]=4 7233 B12R1.8 FCOCCNc1ccccc1 34a_100000211345_100015361967 [0,2,0,0,0,0|2,0,0]=4 7234 B12R1.8 FCOCCOc1ccccc1 34a_100000210260_100015361967 [0,2,0,0,0,0|2,0,0]=4 7235 B12R1.8 FCOCCOc1ccccc1 7a_100000210260_100015361967 [0,2,0,0,0,0|2,0,0]=4 7236 B12R1.8 FCOCCSc1ccccc1 7a_100000230494_100015361967 [0,2,0,0,0,0|2,0,0]=4 7237 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.8 FCSCCOc1ccccc1 62a_100000184471_100015361967 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.8 FCSCCOc1ccccc1 62a_100015361967_100000184471 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.8 FCSCCSc1ccccc1 62a_100000246102_100015361967 [0,2,0,0,0,0|2,0,0]=4 7242 B12R1.8 FCSCCSc1ccccc1 62a_100015361967_100000246102 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.8 FCSCOCc1ccccc1 62a_100000763385_100015361967 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.8 FCSCOCc1ccccc1 62a_100015361967_100000763385 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.8 FCSCSCc1ccccc1 62a_100015361967_200011217039 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.8 FCSCSCc1ccccc1 62a_200011217039_100015361967 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [0,2,0,0,0,0|1,0,1]=4 7248 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [0,2,0,0,0,0|1,0,1]=4 7249 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [0,2,0,0,0,0|1,0,1]=4 7250 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,2,0,0,0,0|1,0,1]=4 7251 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,2,0,0,0,0|1,0,1]=4 7252 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [0,2,0,0,0,0|1,0,1]=4 7253 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [0,2,0,0,0,0|1,0,1]=4 7254 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [0,2,0,0,0,0|1,0,1]=4 7255 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [0,2,0,0,0,0|0,0,1]=3 7256 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,2,0,0,0,0|1,0,1]=4 7257 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [0,2,0,0,0,0|1,0,1]=4 7258 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [0,2,0,0,0,0|1,0,1]=4 7259 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [0,2,0,0,0,0|1,0,1]=4 7260 B12R1.8 N#CCSCSc1ccccc1 62a_100011215382_100011218342 [0,2,0,0,0,0|1,0,1]=4 7261 B12R1.8 N#CCSCSc1ccccc1 62a_100011218342_100011215382 [0,2,0,0,0,0|1,0,1]=4 7262 B12R1.8 N#CSCCSc1ccccc1 62a_100000034367_100000041952 [0,2,0,0,0,0|1,0,1]=4 7263 B12R1.8 N#CSCCSc1ccccc1 62a_100000719477_100000034367 [0,2,0,0,0,0|1,0,1]=4 7264 B12R1.8 N#CSCSCc1ccccc1 62a_100000211182_100000211825 [0,2,0,0,0,0|1,0,1]=4 7265 B12R1.8 N#CSCSCc1ccccc1 62a_100000211825_100015291786 [0,2,0,0,0,0|1,0,1]=4 7266 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,2,0,0,0,0|1,0,0]=3 7267 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,2,0,0,0,0|2,0,0]=4 7269 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,2,0,0,0,0|1,0,0]=3 7270 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,2,0,0,0,0|1,0,0]=3 7271 B12R1.8 NOCCOCc1ccccn1 34a_100000700252_100000721315 [0,2,0,0,0,0|2,0,0]=4 7272 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,2,0,0,0,0|2,0,0]=4 7273 B12R1.8 O=CCCCOc1ccccc1 7a_100000210340_200011292268 [0,2,0,0,0,0|2,0,0]=4 7274 B12R1.8 O=CCCCSc1ccccc1 62a_100000719477_200011292268 [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.8 O=CCCCSc1ccccc1 62a_200011292268_100000041952 [0,2,0,0,0,0|2,0,0]=4 7276 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [0,2,0,0,0,0|1,0,0]=3 7277 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [0,2,0,0,0,0|1,0,0]=3 7278 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,2,0,0,0,0|2,0,0]=4 7279 B12R1.8 O=CCOCCc1ccccc1 34a_100000210268_200009817547 [0,2,0,0,0,0|2,0,0]=4 7280 B12R1.8 O=CCOCCc1ccccc1 7a_100000210268_200015260668 [0,2,0,0,0,0|2,0,0]=4 7281 B12R1.8 O=CCSCCc1ccccc1 62a_100000765856_200015260668 [0,2,0,0,0,0|2,0,0]=4 7282 B12R1.8 O=CCSCCc1ccccc1 62a_200015260668_100011218657 [0,2,0,0,0,0|2,0,0]=4 7283 B12R1.8 O=CCSCSc1ccccc1 62a_100011218342_200015260668 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.8 O=CCSCSc1ccccc1 62a_200015260668_100011218342 [0,2,0,0,0,0|2,0,0]=4 7285 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,2,0,0,0,0|2,0,0]=4 7286 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,2,0,0,0,0|2,0,0]=4 7287 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,2,0,0,0,0|2,0,0]=4 7288 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,2,0,0,0,0|2,0,0]=4 7289 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,2,0,0,0,0|2,0,0]=4 7290 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,2,0,0,0,0|2,0,0]=4 7297 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,2,0,0,0,0|2,0,0]=4 7298 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.8 OCCNCCc1ccccn1 2230a_100016997473_100015183660 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,2,0,0,0,0|2,0,0]=4 7305 B12R1.8 OCCNCCc1ccncc1 2230a_100016997473_100000723409 [0,2,0,0,0,0|2,0,0]=4 7306 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,2,0,0,0,0|2,0,0]=4 7307 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.8 OCCSCSc1ccccc1 62a_100000211926_100011218342 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.8 OCCSCSc1ccccc1 62a_100011218342_100000211926 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,2,0,0,0,0|1,0,0]=3 7314 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,2,0,0,0,0|1,0,0]=3 7315 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,2,0,0,0,0|1,0,0]=3 7317 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,2,0,0,0,0|1,0,0]=3 7318 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 7319 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,2,0,0,0,0|1,0,0]=3 7320 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7321 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7322 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,2,0,0,0,0|1,0,0]=3 7323 B12R1.8 [13CH3]NCCSSc1ccccn1 2230a_100016995281_200025704644 [0,2,0,0,0,0|2,0,0]=4 7324 B12R1.8 [13CH3]NCCSSc1ccccn1 7a_100016995281_200025704644 [0,2,0,0,0,0|2,0,0]=4 7325 B12R1.8 [13CH3]OCCC#Cc1ccccc1 34a_100000760064_200025704644 [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.8 [13CH3]OCCC#Cc1ccccc1 7a_100000760064_200025704644 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,2,0,0,0,0|2,0,0]=4 7329 B12R1.8 [13CH3]OCCCNc1ccccc1 34a_100000212590_200025704644 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.8 [13CH3]OCCCOc1ccccc1 34a_100011215863_200025704644 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.8 [13CH3]OCCCOc1ccccc1 7a_100011215863_200025704644 [0,2,0,0,0,0|2,0,0]=4 7332 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,2,0,0,0,0|2,0,0]=4 7337 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,2,0,0,0,0|2,0,0]=4 7339 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_100000199009_200025704644 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.8 [13CH3]SCCCOc1ccccc1 62a_200025704644_100000199009 [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200011203293_200025704644 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.8 [13CH3]SCCCSc1ccccc1 62a_200025704644_200011203293 [0,2,0,0,0,0|2,0,0]=4 7343 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,2,0,0,0,0|2,0,0]=4 7345 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,2,0,0,0,0|2,0,0]=4 7347 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,2,0,0,0,0|2,0,0]=4 7348 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,2,0,0,0,0|2,0,0]=4 7349 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,2,0,0,0,0|2,0,0]=4 7350 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,2,0,0,0,0|2,0,0]=4 7351 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,2,0,0,0,0|2,0,0]=4 7352 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,2,0,0,0,0|2,0,0]=4 7353 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,2,0,0,0,0|2,0,0]=4 7354 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,2,0,0,0,0|2,0,0]=4 7356 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,2,0,0,0,0|2,0,0]=4 7357 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,2,0,0,0,0|2,0,0]=4 7361 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,2,0,0,0,0|2,0,0]=4 7362 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,2,0,0,0,0|2,0,0]=4 7363 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,2,0,0,0,0|2,0,0]=4 7364 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,2,0,0,0,0|1,0,1]=4 7365 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,2,0,0,0,0|1,0,1]=4 7366 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,2,0,0,0,0|1,0,1]=4 7367 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,2,0,0,0,0|1,0,1]=4 7368 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,2,0,0,0,0|1,0,1]=4 7369 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,2,0,0,0,0|1,0,1]=4 7370 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,2,0,0,0,0|1,0,0]=3 7371 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,2,0,0,0,0|1,0,0]=3 7372 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,2,0,0,0,0|2,0,0]=4 7373 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,2,0,0,0,0|2,0,0]=4 7374 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|1,0,0]=3 7375 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,2,0,0,0,0|2,0,0]=4 7376 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,2,0,0,0,0|2,0,0]=4 7377 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,2,0,0,0,0|2,0,0]=4 7378 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,2,0,0,0,0|2,0,0]=4 7379 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,2,0,0,0,0|2,0,0]=4 7380 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,2,0,0,0,0|2,0,0]=4 7381 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,2,0,0,0,0|2,0,0]=4 7382 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,2,0,0,0,0|1,0,0]=3 7383 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,2,0,0,0,0|1,0,0]=3 7384 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,2,0,0,0,0|2,0,0]=4 7386 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,2,0,0,0,0|2,0,0]=4 7395 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,2,0,0,0,0|2,0,0]=4 7398 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,2,0,0,0,0|2,0,0]=4 7399 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,2,0,0,0,0|2,0,0]=4 7400 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,2,0,0,0,0|2,0,0]=4 7401 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,2,0,0,0,0|2,0,0]=4 7402 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,2,0,0,0,0|2,0,0]=4 7403 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,2,0,0,0,0|2,0,0]=4 7404 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,2,0,0,0,0|2,0,0]=4 7405 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,2,0,0,0,0|2,0,0]=4 7406 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,2,0,0,0,0|1,0,0]=3 7409 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,2,0,0,0,0|1,0,0]=3 7410 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,2,0,0,0,0|1,0,0]=3 7411 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,2,0,0,0,0|1,0,0]=3 7412 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,2,0,0,0,0|1,0,0]=3 7413 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,2,0,0,0,0|1,0,0]=3 7414 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,2,0,0,0,0|2,0,0]=4 7421 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,2,0,0,0,0|2,0,0]=4 7422 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,2,0,0,0,0|2,0,0]=4 7423 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,2,0,0,0,0|2,0,0]=4 7424 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,2,0,0,0,0|2,0,0]=4 7429 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,2,0,0,0,0|1,0,0]=3 7431 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,2,0,0,0,0|1,0,0]=3 7432 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,2,0,0,0,0|2,0,0]=4 7433 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,2,0,0,0,0|2,0,0]=4 7434 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,2,0,0,0,0|2,0,0]=4 7436 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,2,0,0,0,0|2,0,0]=4 7437 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,2,0,0,0,0|2,0,0]=4 7438 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,2,0,0,0,0|2,0,0]=4 7439 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,2,0,0,0,0|1,0,0]=3 7440 B12R1.27 CN(CF)CCc1ccccn1 269982a_100000737206_100015361967 [0,2,0,0,0,0|2,0,0]=4 7441 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,2,0,0,0,0|2,0,0]=4 7442 B12R1.27 CN(CF)CCc1ccncc1 269982a_100000742850_100015361967 [0,2,0,0,0,0|2,0,0]=4 7443 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,2,0,0,0,0|1,0,0]=3 7444 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 7445 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 7446 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,2,0,0,0,0|1,0,0]=3 7447 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,2,0,0,0,0|2,0,0]=4 7448 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,2,0,0,0,0|2,0,0]=4 7449 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,2,0,0,0,0|2,0,0]=4 7450 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,2,0,0,0,0|2,0,0]=4 7451 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 7452 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 7453 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,2,0,0,0,0|2,0,0]=4 7454 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,2,0,0,0,0|2,0,0]=4 7455 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,2,0,0,0,0|2,0,0]=4 7456 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,2,0,0,0,0|2,0,0]=4 7457 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,2,0,0,0,0|1,0,1]=4 7458 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,2,0,0,0,0|1,0,1]=4 7459 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 7460 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 7461 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 7462 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,2,0,0,0,0|1,0,1]=4 7463 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,2,0,0,0,0|1,0,1]=4 7464 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,2,0,0,0,0|1,0,1]=4 7465 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 7466 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 7467 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,2,0,0,0,0|1,0,1]=4 7468 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,2,0,0,0,0|1,0,1]=4 7469 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,2,0,0,0,0|1,0,1]=4 7470 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,2,0,0,0,0|1,0,1]=4 7471 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 7472 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 7473 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,2,0,0,0,0|1,0,1]=4 7474 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,2,0,0,0,0|1,0,1]=4 7475 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,2,0,0,0,0|1,0,1]=4 7476 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,2,0,0,0,0|1,0,0]=3 7478 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,2,0,0,0,0|1,0,0]=3 7479 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,2,0,0,0,0|2,0,0]=4 7484 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,2,0,0,0,0|2,0,0]=4 7485 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,2,0,0,0,0|2,0,0]=4 7486 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,2,0,0,0,0|2,0,0]=4 7488 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,2,0,0,0,0|2,0,0]=4 7490 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,2,0,0,0,0|2,0,0]=4 7491 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,2,0,0,0,0|2,0,0]=4 7492 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,2,0,0,0,0|2,0,0]=4 7493 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,2,0,0,0,0|2,0,0]=4 7494 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,2,0,0,0,0|2,0,0]=4 7495 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,2,0,0,0,0|2,0,0]=4 7496 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,2,0,0,0,0|2,0,0]=4 7497 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,2,0,0,0,0|2,0,0]=4 7498 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,2,0,0,0,0|2,0,0]=4 7499 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,2,0,0,0,0|2,0,0]=4 7500 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,2,0,0,0,0|2,0,0]=4 7501 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,2,0,0,0,0|1,0,1]=4 7504 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,2,0,0,0,0|1,0,1]=4 7505 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,2,0,0,0,0|2,0,0]=4 7506 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,2,0,0,0,0|2,0,0]=4 7511 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,2,0,0,0,0|2,0,0]=4 7512 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,2,0,0,0,0|2,0,0]=4 7516 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,2,0,0,0,0|2,0,0]=4 7517 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,2,0,0,0,0|2,0,0]=4 7518 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,2,0,0,0,0|2,0,0]=4 7519 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,2,0,0,0,0|2,0,0]=4 7520 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,2,0,0,0,0|2,0,0]=4 7526 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,2,0,0,0,0|2,0,0]=4 7528 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,2,0,0,0,0|2,0,0]=4 7529 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,2,0,0,0,0|2,0,0]=4 7535 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,2,0,0,0,0|2,0,0]=4 7536 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,2,0,0,0,0|2,0,0]=4 7537 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,2,0,0,0,0|2,0,0]=4 7538 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,2,0,0,0,0|2,0,0]=4 7540 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,2,0,0,0,0|2,0,0]=4 7541 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,2,0,0,0,0|2,0,0]=4 7542 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,2,0,0,0,0|2,0,0]=4 7543 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,2,0,0,0,0|1,0,1]=4 7544 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,2,0,0,0,0|1,0,1]=4 7545 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,2,0,0,0,0|1,0,1]=4 7546 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,2,0,0,0,0|1,0,0]=3 7552 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,2,0,0,0,0|1,0,0]=3 7553 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,2,0,0,0,0|2,0,0]=4 7555 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,2,0,0,0,0|2,0,0]=4 7560 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,2,0,0,0,0|2,0,0]=4 7564 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,2,0,0,0,0|2,0,0]=4 7565 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,2,0,0,0,0|2,0,0]=4 7566 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,2,0,0,0,0|2,0,0]=4 7571 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,2,0,0,0,0|2,0,0]=4 7577 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,2,0,0,0,0|2,0,0]=4 7580 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,2,0,0,0,0|2,0,0]=4 7581 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,2,0,0,0,0|2,0,0]=4 7582 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,2,0,0,0,0|2,0,0]=4 7585 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,2,0,0,0,0|1,0,1]=4 7588 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,2,0,0,0,0|1,0,1]=4 7589 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,2,0,0,0,0|1,0,1]=4 7590 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,2,0,0,0,0|1,0,1]=4 7591 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,2,0,0,0,0|2,0,0]=4 7593 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,2,0,0,0,0|2,0,0]=4 7594 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,2,0,0,0,0|2,0,0]=4 7599 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,2,0,0,0,0|2,0,0]=4 7600 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,2,0,0,0,0|2,0,0]=4 7602 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 7603 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,2,0,0,0,0|1,0,0]=3 7604 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,2,0,0,0,0|1,0,1]=4 7605 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,2,0,0,0,0|1,0,1]=4 7606 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,2,0,0,0,0|1,0,1]=4 7607 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 7608 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,2,0,0,0,0|1,0,1]=4 7609 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,2,0,0,0,0|1,0,1]=4 7610 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,2,0,0,0,0|1,0,0]=3 7611 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,2,0,0,0,0|1,0,0]=3 7612 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,2,0,0,0,0|1,0,0]=3 7614 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,2,0,0,0,0|1,0,0]=3 7615 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,2,0,0,0,0|1,0,0]=3 7616 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,2,0,0,0,0|1,0,0]=3 7617 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,2,0,0,0,0|1,0,1]=4 7618 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,2,0,0,0,0|1,0,1]=4 7619 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,2,0,0,0,0|1,0,1]=4 7620 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,2,0,0,0,0|1,0,1]=4 7621 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,2,0,0,0,0|2,0,0]=4 7625 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,2,0,0,0,0|2,0,0]=4 7626 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,2,0,0,0,0|2,0,0]=4 7642 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,2,0,0,0,0|1,0,1]=4 7643 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,2,0,0,0,0|1,0,1]=4 7645 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,2,0,0,0,0|2,0,0]=4 7647 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,2,0,0,0,0|1,0,0]=3 7648 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,2,0,0,0,0|2,0,0]=4 7649 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,2,0,0,0,0|2,0,0]=4 7651 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7652 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,2,0,0,0,0|2,0,0]=4 7662 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,2,0,0,0,0|2,0,0]=4 7663 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,2,0,0,0,0|2,0,0]=4 7664 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,2,0,0,0,0|2,0,0]=4 7673 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,2,0,0,0,0|1,0,0]=3 7686 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,2,0,0,0,0|1,0,0]=3 7687 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,2,0,0,0,0|1,0,0]=3 7688 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,2,0,0,0,0|1,0,0]=3 7689 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,2,0,0,0,0|2,0,0]=4 7692 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.252 CC(C)CCNc1ccccc1 34a_100000106764_100000210312 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.252 CC(C)CCSc1ccccc1 62a_100000210312_100000041952 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.252 CC(C)CCSc1ccccc1 62a_100000719477_100000210312 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,2,0,0,0,0|2,0,0]=4 7717 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,2,0,0,0,0|2,0,0]=4 7719 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,2,0,0,0,0|2,0,0]=4 7720 B12R1.252 CC(C)NCCc1ccccc1 2230a_100000106460_100000210206 [0,2,0,0,0,0|1,0,0]=3 7721 B12R1.252 CC(C)NCCc1ccccc1 2230a_100138425928_100000765856 [0,2,0,0,0,0|1,0,0]=3 7722 B12R1.252 CC(C)NCCc1ccccc1 34a_100000106460_100000210206 [0,2,0,0,0,0|1,0,0]=3 7723 B12R1.252 CC(C)NCCc1ccccc1 34a_100138425928_100000765856 [0,2,0,0,0,0|1,0,0]=3 7724 B12R1.252 CC(C)NCCc1ccccn1 2230a_100138425928_100015183660 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.252 CC(C)NCCc1ccncc1 2230a_100138425928_100000723409 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.252 CC(C)NCSc1ccccc1 2230a_100138425928_100011218342 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.252 CC(C)OCCc1ccccc1 34a_100000210268_100000210206 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.252 CC(C)OCCc1ccccc1 34a_100000212225_100000765856 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.252 CC(C)OCCc1ccccc1 7a_100000210268_100000210206 [0,2,0,0,0,0|2,0,0]=4 7732 B12R1.252 CC(C)SCCc1ccccc1 62a_100000210206_100011218657 [0,2,0,0,0,0|2,0,0]=4 7733 B12R1.252 CC(C)SCCc1ccccc1 62a_100000765856_100000210206 [0,2,0,0,0,0|2,0,0]=4 7734 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,2,0,0,0,0|2,0,0]=4 7735 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,2,0,0,0,0|2,0,0]=4 7739 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,2,0,0,0,0|2,0,0]=4 7740 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,2,0,0,0,0|2,0,0]=4 7742 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,2,0,0,0,0|2,0,0]=4 7743 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,2,0,0,0,0|2,0,0]=4 7746 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,2,0,0,0,0|2,0,0]=4 7747 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [0,2,0,0,0,0|1,0,1]=4 7751 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [0,2,0,0,0,0|1,0,1]=4 7752 B12R1.252 CN(C)CC#Cc1ccccc1 2230a_100102631434_100011352542 [0,2,0,0,0,0|1,0,1]=4 7753 B12R1.252 CN(C)CC#Cc1ccccc1 269982a_100102631434_100011352542 [0,2,0,0,0,0|1,0,1]=4 7754 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [0,2,0,0,0,0|1,0,1]=4 7755 B12R1.252 CN(C)CCCc1ccccc1 2230a_100000693637_200000210301 [0,2,0,0,0,0|1,0,0]=3 7756 B12R1.252 CN(C)CCCc1ccccc1 2230a_100102631434_100000211621 [0,2,0,0,0,0|1,0,0]=3 7757 B12R1.252 CN(C)CCCc1ccccc1 269982a_100000693637_200000210301 [0,2,0,0,0,0|1,0,0]=3 7758 B12R1.252 CN(C)CCCc1ccccc1 269982a_100102631434_100000211621 [0,2,0,0,0,0|1,0,0]=3 7759 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,2,0,0,0,0|1,0,0]=3 7760 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,2,0,0,0,0|1,0,0]=3 7761 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,2,0,0,0,0|1,0,0]=3 7762 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,2,0,0,0,0|1,0,0]=3 7763 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,2,0,0,0,0|1,0,0]=3 7764 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,2,0,0,0,0|1,0,0]=3 7765 B12R1.252 CN(C)CCOc1cccnc1 7a_100000210849_100000755713 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.252 CN(C)CCSc1ccccc1 2230a_100102631434_100000246102 [0,2,0,0,0,0|1,0,0]=3 7767 B12R1.252 CN(C)CCSc1ccccc1 269982a_100102631434_100000246102 [0,2,0,0,0,0|1,0,0]=3 7768 B12R1.252 CN(C)CCSc1ccccc1 62a_100000719477_100000755713 [0,2,0,0,0,0|1,0,0]=3 7769 B12R1.252 CN(C)CCSc1ccccn1 62a_100011216584_100000755713 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.252 CN(C)CCSc1cccnc1 62a_100000210063_100000755713 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.252 CN(C)CCSc1ccncc1 62a_100000728582_100000755713 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.252 CN(C)CSCc1ccccc1 2230a_100102631434_200011217039 [0,2,0,0,0,0|1,0,0]=3 7774 B12R1.252 CN(C)CSCc1ccccc1 269982a_100102631434_200011217039 [0,2,0,0,0,0|1,0,0]=3 7775 B12R1.252 CN([13CH3])CCCc1ccccc1 2230a_100000693637_200025704644 [0,2,0,0,0,0|1,0,0]=3 7776 B12R1.252 CN([13CH3])CCCc1ccccc1 269982a_100000693637_200025704644 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,2,0,0,0,0|1,0,0]=3 7778 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,2,0,0,0,0|1,0,0]=3 7779 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,2,0,0,0,0|1,0,0]=3 7781 B12R1.252 C[C@@H](N)COCc1ccccn1 34a_100000737577_100000721315 [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,2,0,0,0,0|2,0,0]=4 7783 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,2,0,0,0,0|2,0,0]=4 7784 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,2,0,0,0,0|2,0,0]=4 7786 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,2,0,0,0,0|2,0,0]=4 7787 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,2,0,0,0,0|2,0,0]=4 7790 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,2,0,0,0,0|2,0,0]=4 7791 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,2,0,0,0,0|2,0,0]=4 7794 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,2,0,0,0,0|2,0,0]=4 7795 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.252 FC(F)CSCc1ccccc1 62a_100000211182_100011934356 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.252 FC(F)CSCc1ccccc1 62a_100011934356_100015291786 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,2,0,0,0,0|1,0,0]=3 7800 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,2,0,0,0,0|1,0,0]=3 7801 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,2,0,0,0,0|1,0,0]=3 7802 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,2,0,0,0,0|2,0,0]=4 7803 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,2,0,0,0,0|1,0,0]=3 7806 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,2,0,0,0,0|1,0,0]=3 7807 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,2,0,0,0,0|1,0,0]=3 7814 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,2,0,0,0,0|1,0,0]=3 7815 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,2,0,0,0,0|1,0,0]=3 7816 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,2,0,0,0,0|2,0,0]=4 7817 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,2,0,0,0,0|2,0,0]=4 7818 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,2,0,0,0,0|2,0,0]=4 7819 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 7820 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,2,0,0,0,0|1,0,0]=3 7821 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,2,0,0,0,0|2,0,0]=4 7824 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,2,0,0,0,0|2,0,0]=4 7825 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,2,0,0,0,0|2,0,0]=4 7827 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,2,0,0,0,0|2,0,0]=4 7828 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,2,0,0,0,0|2,0,0]=4 7829 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,2,0,0,0,0|2,0,0]=4 7830 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,2,0,0,0,0|2,0,0]=4 7831 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,2,0,0,0,0|1,0,1]=4 7835 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,2,0,0,0,0|1,0,1]=4 7836 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,2,0,0,0,0|1,0,1]=4 7837 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,2,0,0,0,0|1,0,0]=3 7848 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,2,0,0,0,0|2,0,0]=4 7864 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,2,0,0,0,0|2,0,0]=4 7865 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,2,0,0,0,0|2,0,0]=4 7866 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,2,0,0,0,0|2,0,0]=4 7867 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,2,0,0,0,0|2,0,0]=4 7868 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,2,0,0,0,0|2,0,0]=4 7869 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,2,0,0,0,0|2,0,0]=4 7871 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,2,0,0,0,0|2,0,0]=4 7872 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,2,0,0,0,0|1,0,0]=3 7873 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,2,0,0,0,0|1,0,0]=3 7874 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,2,0,0,0,0|1,0,0]=3 7875 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,2,0,0,0,0|2,0,0]=4 7877 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,2,0,0,0,0|1,0,0]=3 7878 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,2,0,0,0,0|1,0,1]=4 7880 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,2,0,0,0,0|1,0,1]=4 7881 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,2,0,0,0,0|1,0,0]=3 7882 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,2,0,0,0,0|1,0,0]=3 7883 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,2,0,0,0,0|2,0,0]=4 7884 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,2,0,0,0,0|2,0,0]=4 7885 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7887 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,2,0,0,0,0|1,0,1]=4 7888 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,2,0,0,0,0|1,0,1]=4 7889 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,2,0,0,0,0|2,0,0]=4 7890 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,2,0,0,0,0|2,0,0]=4 7891 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,2,0,0,0,0|2,0,0]=4 7892 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,2,0,0,0,0|2,0,0]=4 7893 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,2,0,0,0,0|2,0,0]=4 7894 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,2,0,0,0,0|2,0,0]=4 7895 B12R1.891 NS(=O)(=O)CSc1ccccc1 62a_100000719477_100000741382 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.891 NS(=O)(=O)CSc1ccccc1 62a_100000741382_100000041952 [0,2,0,0,0,0|2,0,0]=4 7897 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [0,0,1,1,0,0|0,0,2]=4 7898 B10R1.172 C=Cc1cccc(n1)NN 271570a_100011290941_100009817029 [0,0,1,1,0,0|1,0,1]=4 7899 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [1,0,0,1,0,0|2,0,0]=4 7900 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [1,0,0,1,0,0|1,0,0]=3 7901 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [1,0,0,1,0,0|2,0,0]=4 7902 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [1,0,0,1,0,0|2,0,0]=4 7903 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,1,0,1,0,0|1,0,0]=3 7904 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,1,0,1,0,0|1,0,0]=3 7905 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,1,0,1,0,0|1,0,0]=3 7906 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,1,0,1,0,0|2,0,0]=4 7907 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,1,0,1,0,0|2,0,0]=4 7908 B12R2.24 CN1CCc2ccncc2C1 2230a_100015190008_200000210301 [0,1,0,1,0,0|2,0,0]=4 7909 B12R2.24 CN1CCc2ccncc2C1 269982a_100015190008_200000210301 [0,1,0,1,0,0|2,0,0]=4 7910 B12R2.24 CN1CCc2cnccc2C1 2230a_100020645890_200000210301 [0,1,0,1,0,0|2,0,0]=4 7911 B12R2.24 CN1CCc2cnccc2C1 269982a_100020645890_200000210301 [0,1,0,1,0,0|2,0,0]=4 7912 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,1,0,1,0,0|2,0,0]=4 7913 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,1,0,1,0,0|2,0,0]=4 7914 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,1,0,1,0,0|2,0,0]=4 7915 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [0,1,0,1,0,0|1,0,0]=3 7916 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|2,0,0]=4 7917 B12R2.24 Oc1ccc2c(c1)CCNC2 271570a_203496583355_100000686056 [0,1,0,1,0,0|1,0,0]=3 7918 B12R2.24 Oc1ccc2c(c1)CNCC2 271570a_203496583355_100015189961 [0,1,0,1,0,0|1,0,0]=3 7919 B12R2.24 Oc1ccc2c(c1)COCC2 271570a_203496583355_100010128096 [0,1,0,1,0,0|2,0,0]=4 7920 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [0,1,0,1,0,0|1,0,0]=3 7921 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|2,0,0]=4 7922 B12R2.24 Oc1ccc2c(c1)NCCS2 271570a_203496583355_100013243616 [0,1,0,1,0,0|2,0,0]=4 7923 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|2,0,0]=4 7924 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|2,0,0]=4 7925 B12R2.24 Oc1ccc2c(n1)CCCN2 271570a_203496583355_100010277722 [0,1,0,1,0,0|2,0,0]=4 7926 B12R2.24 Oc1ccc2c(n1)CCNC2 271570a_203496583355_100015190003 [0,1,0,1,0,0|2,0,0]=4 7927 B12R2.24 Oc1ccc2c(n1)NCCC2 271570a_203496583355_100009952728 [0,1,0,1,0,0|2,0,0]=4 7928 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,1,0,1,0,0|1,0,0]=3 7929 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,1,0,1,0,0|1,0,0]=3 7930 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,1,0,1,0,0|1,0,0]=3 7931 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,1,0,1,0,0|2,0,0]=4 7932 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,1,0,1,0,0|2,0,0]=4 7933 B12R2.24 [13CH3]N1CCc2ccncc2C1 2230a_100015190008_200025704644 [0,1,0,1,0,0|2,0,0]=4 7934 B12R2.24 [13CH3]N1CCc2ccncc2C1 269982a_100015190008_200025704644 [0,1,0,1,0,0|2,0,0]=4 7935 B12R2.24 [13CH3]N1CCc2cnccc2C1 2230a_100020645890_200025704644 [0,1,0,1,0,0|2,0,0]=4 7936 B12R2.24 [13CH3]N1CCc2cnccc2C1 269982a_100020645890_200025704644 [0,1,0,1,0,0|2,0,0]=4 7937 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,1,0,1,0,0|2,0,0]=4 7938 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,1,0,1,0,0|2,0,0]=4 7939 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,1,0,1,0,0|1,0,0]=3 7940 B12R2.132 NC1CCc2c1cc(cc2)O 271570a_203496583355_100011435097 [0,1,0,1,0,0|1,0,0]=3 7941 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,1,0,1,0,0|2,0,0]=4 7942 B12R2.132 Oc1ccc2c(c1)C(CC2)O 271570a_203496583355_100011836024 [0,1,0,1,0,0|2,0,0]=4 7943 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,1,0,0|2,0,0]=4 7944 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,1,0,0|2,0,0]=4 7945 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,1,0,1,0,0|2,0,0]=4 7946 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,1,0,1,0,0|2,0,0]=4 7947 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [0,1,0,1,0,0|2,0,0]=4 7948 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [0,1,0,1,0,0|2,0,0]=4 7949 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [0,1,0,1,0,0|2,0,0]=4 7950 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [0,1,0,1,0,0|2,0,0]=4 7951 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 7952 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,1,0,1,0,0|1,0,0]=3 7953 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 7954 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,1,0,1,0,0|1,0,0]=3 7955 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,1,0,1,0,0|2,0,0]=4 7956 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,1,0,1,0,0|2,0,0]=4 7957 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,1,0,1,0,0|2,0,0]=4 7958 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,1,0,1,0,0|2,0,0]=4 7959 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,1,0,1,0,0|2,0,0]=4 7960 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,1,0,1,0,0|2,0,0]=4 7961 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,1,0,1,0,0|2,0,0]=4 7962 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,1,0,1,0,0|2,0,0]=4 7963 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,1,0,1,0,0|2,0,0]=4 7964 B12R2.1081 Oc1cccc2c1CCCN2 271570a_203496583355_100010196365 [0,1,0,1,0,0|1,0,0]=3 7965 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|2,0,0]=4 7966 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|1,0,1]=4 7967 B12R2.1081 Oc1cccc2c1CCNC2 271570a_203496583355_100000756787 [0,1,0,1,0,0|1,0,0]=3 7968 B12R2.1081 Oc1cccc2c1CNCC2 271570a_203496583355_100000687140 [0,1,0,1,0,0|1,0,0]=3 7969 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|2,0,0]=4 7970 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|2,0,0]=4 7971 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|2,0,0]=4 7972 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,1,0,1,0,0|1,0,0]=3 7973 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,1,0,1,0,0|1,0,0]=3 7974 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,1,0,1,0,0|1,0,0]=3 7975 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,1,0,1,0,0|1,0,0]=3 7976 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,1,0,1,0,0|2,0,0]=4 7977 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,1,0,1,0,0|2,0,0]=4 7978 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,1,0,1,0,0|2,0,0]=4 7979 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,1,0,1,0,0|1,0,0]=3 7980 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,1,0,1,0,0|1,0,0]=3 7981 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,1,0,1,0,0|2,0,0]=4 7982 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,1,0,1,0,0|2,0,0]=4 7983 B12R2.196 NC1CCc2c1cccc2O 271570a_203496583355_100000751068 [0,1,0,1,0,0|1,0,0]=3 7984 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|2,0,0]=4 7985 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [0,1,0,1,0,0|2,0,0]=4 7986 B12R2.196 Oc1cccc2c1CC[C@@H]2O 271570a_203496583355_100010080924 [0,1,0,1,0,0|2,0,0]=4 7987 B12R2.203 NC1CCc2c1c(ccc2)O 271570a_203496583355_100103168669 [0,1,0,1,0,0|1,0,0]=3 7988 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [0,1,0,1,0,0|2,0,0]=4 7989 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,1,0,1,0,0|1,0,0]=3 7990 B12R2.612 CN1CCc2c1ncc(c2)O 271570a_203496583355_200010383199 [0,1,0,1,0,0|2,0,0]=4 7991 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,1,0,1,0,0|1,0,0]=3 7992 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|2,0,0]=4 7993 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,1,0,1,0,0|2,0,0]=4 7994 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,1,0,1,0,0|2,0,0]=4 7995 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|1,0,0]=3 7996 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|1,0,0]=3 7997 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|1,0,0]=3 7998 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 7999 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|1,0,0]=3 8000 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|2,0,0]=4 8001 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|2,0,0]=4 8002 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|2,0,0]=4 8003 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|1,0,0]=3 8004 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 8005 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|1,0,0]=3 8006 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|2,0,0]=4 8007 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|2,0,0]=4 8008 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|2,0,0]=4 8009 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 8010 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 8011 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,1,0,1,0,0|1,0,0]=3 8012 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 8013 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 8014 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,1,0,1,0,0|1,0,0]=3 8015 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,1,0,0|1,0,0]=3 8016 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,1,0,0|1,0,0]=3 8017 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,1,0,0|1,0,0]=3 8018 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,1,0,0|1,0,0]=3 8019 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,1,0,1,0,0|2,0,0]=4 8020 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,1,0,1,0,0|2,0,0]=4 8021 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,1,0,1,0,0|2,0,0]=4 8022 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,1,0,1,0,0|2,0,0]=4 8023 B12R2.2057 c1ccc(cc1)NCC2CC2 34a_100000106764_100000742324 [0,1,0,1,0,0|2,0,0]=4 8024 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,1,0,1,0,0|2,0,0]=4 8025 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,1,0,1,0,0|2,0,0]=4 8026 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,1,0,1,0,0|2,0,0]=4 8027 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,1,0,1,0,0|2,0,0]=4 8028 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,1,0,1,0,0|2,0,0]=4 8029 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,1,0,1,0,0|2,0,0]=4 8030 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,1,0,1,0,0|2,0,0]=4 8031 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000719477_100000742324 [0,1,0,1,0,0|2,0,0]=4 8032 B12R2.2057 c1ccc(cc1)SCC2CC2 62a_100000756562_100000041952 [0,1,0,1,0,0|2,0,0]=4 8033 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,1,0,1,0,0|2,0,0]=4 8034 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,1,0,1,0,0|2,0,0]=4 8035 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000031435_100000041952 [0,1,0,1,0,0|2,0,0]=4 8036 B12R2.2057 c1ccc(cc1)SCC2CS2 62a_100000719477_100000031435 [0,1,0,1,0,0|2,0,0]=4 8037 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,1,0,1,0,0|2,0,0]=4 8038 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,1,0,1,0,0|2,0,0]=4 8039 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,1,0,1,0,0|2,0,0]=4 8040 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,1,0,1,0,0|2,0,0]=4 8041 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,1,0,1,0,0|2,0,0]=4 8042 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,1,0,1,0,0|2,0,0]=4 8043 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,1,0,1,0,0|2,0,0]=4 8044 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,1,0,1,0,0|2,0,0]=4 8045 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,1,0,1,0,0|2,0,0]=4 8046 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,1,0,1,0,0|2,0,0]=4 8047 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,1,0,1,0,0|2,0,0]=4 8048 B12R2.3190 CN(C)C1Cc2c1cccc2 269982a_100102631434_100009813401 [0,1,0,1,0,0|1,0,0]=3 8049 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,1,0,1,0,0|2,0,0]=4 8050 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,1,0|2,0,0]=4 8051 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,1,0|2,0,0]=4 8052 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,1,0|2,0,0]=4 8053 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,1,0|2,0,0]=4 8054 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,1,0|2,0,0]=4 8055 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,1,0|2,0,0]=4 8056 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,1,0|2,0,0]=4 8057 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,1,0|2,0,0]=4 8058 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,1,0|2,0,0]=4 8059 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,1,0|2,0,0]=4 8060 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,1,0|2,0,0]=4 8061 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,1,0|2,0,0]=4 8062 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,1,0|2,0,0]=4 8063 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,1,0|2,0,0]=4 8064 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,1,0|2,0,0]=4 8065 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,1,0|2,0,0]=4 8066 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,1,0|2,0,0]=4 8067 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,1,0|2,0,0]=4 8068 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,1,0|2,0,0]=4 8069 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,1,0|2,0,0]=4 8070 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,1,0|2,0,0]=4 8071 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,1,0|2,0,0]=4 8072 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,1,0|2,0,0]=4 8073 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,1,0|2,0,0]=4 8074 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,1,0|2,0,0]=4